----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:58:04]------------------------- 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: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.395636705725268 1.383121496931029 8.583450659999992 b -2.395636705725262 1.383121496931029 8.583450659999992 c 0.000000000000002 -2.766242993862061 8.583450659999992 Atomic positions (fractional): *1 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 *2 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 *3 P 0.73502001544348 0.73502001544348 0.73502001544348 30.974 4 P 0.26497998455652 0.26497998455652 0.26497998455652 30.974 *5 O 0.79276895086774 0.79276895086774 0.79276895086774 15.999 *6 O 0.39602092783466 0.73751492762824 0.00376497260119 15.999 7 O 0.20723104913226 0.20723104913226 0.20723104913226 15.999 8 O 0.00376497260119 0.39602092783466 0.73751492762824 15.999 9 O 0.99623502739881 0.60397907216534 0.26248507237176 15.999 10 O 0.73751492762824 0.00376497260119 0.39602092783466 15.999 11 O 0.26248507237176 0.99623502739881 0.60397907216534 15.999 12 O 0.60397907216534 0.26248507237176 0.99623502739881 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.791273411450530 0.000000000000000 0.000000000000000 b -2.395636705725265 4.149364490793090 0.000000000000000 c 0.000000000000000 0.000000000000000 25.750351980000001 Atomic positions (fractional): *1 K 0.33333333333333 0.66666666666667 0.16666666666667 39.098 > 1 2 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 1 3 K 0.66666666666667 0.33333333333333 0.83333333333333 39.098 > 1 *4 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 2 5 Sb 0.66666666666667 0.33333333333333 0.33333333333333 121.760 > 2 6 Sb 0.33333333333333 0.66666666666667 0.66666666666667 121.760 > 2 *7 P 0.66666666666667 0.33333333333333 0.06835334877682 30.974 > 3 8 P 0.00000000000000 0.00000000000000 0.26497998455652 30.974 > 4 9 P 0.33333333333333 0.66666666666667 0.40168668211015 30.974 > 3 10 P 0.66666666666667 0.33333333333333 0.59831331788985 30.974 > 4 11 P 0.00000000000000 0.00000000000000 0.73502001544348 30.974 > 3 12 P 0.33333333333333 0.66666666666667 0.93164665122318 30.974 > 4 *13 O 0.66666666666667 0.33333333333333 0.12610228420107 15.999 > 5 *14 O 0.35025398514663 0.04200197008684 0.04576694268803 15.999 > 6 15 O 0.00000000000000 0.00000000000000 0.20723104913226 15.999 > 7 16 O 0.95799802991316 0.30825201505979 0.04576694268803 15.999 > 8 17 O 0.70866863675351 0.02508131827355 0.28756639064530 15.999 > 9 18 O 0.69174798494021 0.64974601485337 0.04576694268803 15.999 > 10 19 O 0.97491868172646 0.68358731847996 0.28756639064530 15.999 > 11 20 O 0.31641268152004 0.29133136324650 0.28756639064530 15.999 > 12 21 O 0.33333333333333 0.66666666666667 0.45943561753440 15.999 > 5 22 O 0.01692065181329 0.37533530342017 0.37910027602136 15.999 > 6 23 O 0.66666666666667 0.33333333333333 0.54056438246560 15.999 > 7 24 O 0.62466469657983 0.64158534839312 0.37910027602136 15.999 > 8 25 O 0.37533530342017 0.35841465160688 0.62089972397864 15.999 > 9 26 O 0.35841465160688 0.98307934818671 0.37910027602136 15.999 > 10 27 O 0.64158534839312 0.01692065181329 0.62089972397864 15.999 > 11 28 O 0.98307934818671 0.62466469657983 0.62089972397864 15.999 > 12 29 O 0.00000000000000 0.00000000000000 0.79276895086774 15.999 > 5 30 O 0.68358731847996 0.70866863675351 0.71243360935470 15.999 > 6 31 O 0.33333333333333 0.66666666666667 0.87389771579893 15.999 > 7 32 O 0.29133136324650 0.97491868172646 0.71243360935470 15.999 > 8 33 O 0.04200197008684 0.69174798494021 0.95423305731197 15.999 > 9 34 O 0.02508131827355 0.31641268152004 0.71243360935470 15.999 > 10 35 O 0.30825201505979 0.35025398514663 0.95423305731197 15.999 > 11 36 O 0.64974601485337 0.95799802991316 0.95423305731197 15.999 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.582546822901060 0.000000000000000 0.000000000000000 b -4.791273411450530 8.298728981586180 0.000000000000000 c 0.000000000000000 0.000000000000000 25.750351980000001 Atomic positions (fractional): *1 K 0.16666666666667 0.33333333333333 0.16666666666667 39.098 > 1 2 K 0.66666666666667 0.33333333333333 0.16666666666667 39.098 > 1 3 K 0.16666666666667 0.83333333333333 0.16666666666667 39.098 > 1 4 K 0.66666666666667 0.83333333333333 0.16666666666667 39.098 > 1 5 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 1 6 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 1 7 K 0.00000000000000 0.50000000000000 0.50000000000000 39.098 > 1 8 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 1 9 K 0.33333333333333 0.16666666666667 0.83333333333333 39.098 > 1 10 K 0.83333333333333 0.16666666666667 0.83333333333333 39.098 > 1 11 K 0.33333333333333 0.66666666666667 0.83333333333333 39.098 > 1 12 K 0.83333333333333 0.66666666666667 0.83333333333333 39.098 > 1 *13 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 2 14 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 2 15 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 2 16 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 > 2 17 Sb 0.33333333333333 0.16666666666667 0.33333333333333 121.760 > 2 18 Sb 0.83333333333333 0.16666666666667 0.33333333333333 121.760 > 2 19 Sb 0.33333333333333 0.66666666666667 0.33333333333333 121.760 > 2 20 Sb 0.83333333333333 0.66666666666667 0.33333333333333 121.760 > 2 21 Sb 0.16666666666667 0.33333333333333 0.66666666666667 121.760 > 2 22 Sb 0.66666666666667 0.33333333333333 0.66666666666667 121.760 > 2 23 Sb 0.16666666666667 0.83333333333333 0.66666666666667 121.760 > 2 24 Sb 0.66666666666667 0.83333333333333 0.66666666666667 121.760 > 2 *25 P 0.33333333333333 0.16666666666667 0.06835334877682 30.974 > 3 26 P 0.83333333333333 0.16666666666667 0.06835334877682 30.974 > 3 27 P 0.33333333333333 0.66666666666667 0.06835334877682 30.974 > 3 28 P 0.83333333333333 0.66666666666667 0.06835334877682 30.974 > 3 29 P 0.00000000000000 0.00000000000000 0.26497998455652 30.974 > 4 30 P 0.50000000000000 0.00000000000000 0.26497998455652 30.974 > 4 31 P 0.00000000000000 0.50000000000000 0.26497998455652 30.974 > 4 32 P 0.50000000000000 0.50000000000000 0.26497998455652 30.974 > 4 33 P 0.16666666666667 0.33333333333333 0.40168668211015 30.974 > 3 34 P 0.66666666666667 0.33333333333333 0.40168668211015 30.974 > 3 35 P 0.16666666666667 0.83333333333333 0.40168668211015 30.974 > 3 36 P 0.66666666666667 0.83333333333333 0.40168668211015 30.974 > 3 37 P 0.33333333333333 0.16666666666667 0.59831331788985 30.974 > 4 38 P 0.83333333333333 0.16666666666667 0.59831331788985 30.974 > 4 39 P 0.33333333333333 0.66666666666667 0.59831331788985 30.974 > 4 40 P 0.83333333333333 0.66666666666667 0.59831331788985 30.974 > 4 41 P 0.00000000000000 0.00000000000000 0.73502001544348 30.974 > 3 42 P 0.50000000000000 0.00000000000000 0.73502001544348 30.974 > 3 43 P 0.00000000000000 0.50000000000000 0.73502001544348 30.974 > 3 44 P 0.50000000000000 0.50000000000000 0.73502001544348 30.974 > 3 45 P 0.16666666666667 0.33333333333333 0.93164665122318 30.974 > 4 46 P 0.66666666666667 0.33333333333333 0.93164665122318 30.974 > 4 47 P 0.16666666666667 0.83333333333333 0.93164665122318 30.974 > 4 48 P 0.66666666666667 0.83333333333333 0.93164665122318 30.974 > 4 *49 O 0.33333333333333 0.16666666666667 0.12610228420107 15.999 > 5 50 O 0.83333333333333 0.16666666666667 0.12610228420107 15.999 > 5 51 O 0.33333333333333 0.66666666666667 0.12610228420107 15.999 > 5 52 O 0.83333333333333 0.66666666666667 0.12610228420107 15.999 > 5 *53 O 0.17512699257331 0.02100098504342 0.04576694268803 15.999 > 6 54 O 0.67512699257331 0.02100098504342 0.04576694268803 15.999 > 6 55 O 0.17512699257331 0.52100098504342 0.04576694268803 15.999 > 6 56 O 0.67512699257331 0.52100098504342 0.04576694268803 15.999 > 6 57 O 0.00000000000000 0.00000000000000 0.20723104913226 15.999 > 7 58 O 0.50000000000000 0.00000000000000 0.20723104913226 15.999 > 7 59 O 0.00000000000000 0.50000000000000 0.20723104913226 15.999 > 7 60 O 0.50000000000000 0.50000000000000 0.20723104913226 15.999 > 7 61 O 0.47899901495658 0.15412600752989 0.04576694268803 15.999 > 8 62 O 0.97899901495658 0.15412600752989 0.04576694268803 15.999 > 8 63 O 0.47899901495658 0.65412600752989 0.04576694268803 15.999 > 8 64 O 0.97899901495658 0.65412600752989 0.04576694268803 15.999 > 8 65 O 0.35433431837675 0.01254065913677 0.28756639064530 15.999 > 9 66 O 0.85433431837675 0.01254065913677 0.28756639064530 15.999 > 9 67 O 0.35433431837675 0.51254065913677 0.28756639064530 15.999 > 9 68 O 0.85433431837675 0.51254065913677 0.28756639064530 15.999 > 9 69 O 0.34587399247011 0.32487300742669 0.04576694268803 15.999 > 10 70 O 0.84587399247011 0.32487300742669 0.04576694268803 15.999 > 10 71 O 0.34587399247011 0.82487300742669 0.04576694268803 15.999 > 10 72 O 0.84587399247011 0.82487300742669 0.04576694268803 15.999 > 10 73 O 0.48745934086323 0.34179365923998 0.28756639064530 15.999 > 11 74 O 0.98745934086323 0.34179365923998 0.28756639064530 15.999 > 11 75 O 0.48745934086323 0.84179365923998 0.28756639064530 15.999 > 11 76 O 0.98745934086323 0.84179365923998 0.28756639064530 15.999 > 11 77 O 0.15820634076002 0.14566568162325 0.28756639064530 15.999 > 12 78 O 0.65820634076002 0.14566568162325 0.28756639064530 15.999 > 12 79 O 0.15820634076002 0.64566568162325 0.28756639064530 15.999 > 12 80 O 0.65820634076002 0.64566568162325 0.28756639064530 15.999 > 12 81 O 0.16666666666667 0.33333333333333 0.45943561753440 15.999 > 5 82 O 0.66666666666667 0.33333333333333 0.45943561753440 15.999 > 5 83 O 0.16666666666667 0.83333333333333 0.45943561753440 15.999 > 5 84 O 0.66666666666667 0.83333333333333 0.45943561753440 15.999 > 5 85 O 0.00846032590665 0.18766765171009 0.37910027602136 15.999 > 6 86 O 0.50846032590665 0.18766765171009 0.37910027602136 15.999 > 6 87 O 0.00846032590665 0.68766765171009 0.37910027602136 15.999 > 6 88 O 0.50846032590665 0.68766765171009 0.37910027602136 15.999 > 6 89 O 0.33333333333333 0.16666666666667 0.54056438246560 15.999 > 7 90 O 0.83333333333333 0.16666666666667 0.54056438246560 15.999 > 7 91 O 0.33333333333333 0.66666666666667 0.54056438246560 15.999 > 7 92 O 0.83333333333333 0.66666666666667 0.54056438246560 15.999 > 7 93 O 0.31233234828991 0.32079267419656 0.37910027602136 15.999 > 8 94 O 0.81233234828991 0.32079267419656 0.37910027602136 15.999 > 8 95 O 0.31233234828991 0.82079267419656 0.37910027602136 15.999 > 8 96 O 0.81233234828991 0.82079267419656 0.37910027602136 15.999 > 8 97 O 0.18766765171009 0.17920732580344 0.62089972397864 15.999 > 9 98 O 0.68766765171009 0.17920732580344 0.62089972397864 15.999 > 9 99 O 0.18766765171009 0.67920732580344 0.62089972397864 15.999 > 9 100 O 0.68766765171009 0.67920732580344 0.62089972397864 15.999 > 9 101 O 0.17920732580344 0.49153967409335 0.37910027602136 15.999 > 10 102 O 0.67920732580344 0.49153967409335 0.37910027602136 15.999 > 10 103 O 0.17920732580344 0.99153967409335 0.37910027602136 15.999 > 10 104 O 0.67920732580344 0.99153967409335 0.37910027602136 15.999 > 10 105 O 0.32079267419656 0.00846032590665 0.62089972397864 15.999 > 11 106 O 0.82079267419656 0.00846032590665 0.62089972397864 15.999 > 11 107 O 0.32079267419656 0.50846032590665 0.62089972397864 15.999 > 11 108 O 0.82079267419656 0.50846032590665 0.62089972397864 15.999 > 11 109 O 0.49153967409335 0.31233234828991 0.62089972397864 15.999 > 12 110 O 0.99153967409335 0.31233234828991 0.62089972397864 15.999 > 12 111 O 0.49153967409335 0.81233234828991 0.62089972397864 15.999 > 12 112 O 0.99153967409335 0.81233234828991 0.62089972397864 15.999 > 12 113 O 0.00000000000000 0.00000000000000 0.79276895086774 15.999 > 5 114 O 0.50000000000000 0.00000000000000 0.79276895086774 15.999 > 5 115 O 0.00000000000000 0.50000000000000 0.79276895086774 15.999 > 5 116 O 0.50000000000000 0.50000000000000 0.79276895086774 15.999 > 5 117 O 0.34179365923998 0.35433431837675 0.71243360935470 15.999 > 6 118 O 0.84179365923998 0.35433431837675 0.71243360935470 15.999 > 6 119 O 0.34179365923998 0.85433431837675 0.71243360935470 15.999 > 6 120 O 0.84179365923998 0.85433431837675 0.71243360935470 15.999 > 6 121 O 0.16666666666667 0.33333333333333 0.87389771579893 15.999 > 7 122 O 0.66666666666667 0.33333333333333 0.87389771579893 15.999 > 7 123 O 0.16666666666667 0.83333333333333 0.87389771579893 15.999 > 7 124 O 0.66666666666667 0.83333333333333 0.87389771579893 15.999 > 7 125 O 0.14566568162325 0.48745934086323 0.71243360935470 15.999 > 8 126 O 0.64566568162325 0.48745934086323 0.71243360935470 15.999 > 8 127 O 0.14566568162325 0.98745934086323 0.71243360935470 15.999 > 8 128 O 0.64566568162325 0.98745934086323 0.71243360935470 15.999 > 8 129 O 0.02100098504342 0.34587399247011 0.95423305731197 15.999 > 9 130 O 0.52100098504342 0.34587399247011 0.95423305731197 15.999 > 9 131 O 0.02100098504342 0.84587399247011 0.95423305731197 15.999 > 9 132 O 0.52100098504342 0.84587399247011 0.95423305731197 15.999 > 9 133 O 0.01254065913677 0.15820634076002 0.71243360935470 15.999 > 10 134 O 0.51254065913677 0.15820634076002 0.71243360935470 15.999 > 10 135 O 0.01254065913677 0.65820634076002 0.71243360935470 15.999 > 10 136 O 0.51254065913677 0.65820634076002 0.71243360935470 15.999 > 10 137 O 0.15412600752989 0.17512699257331 0.95423305731197 15.999 > 11 138 O 0.65412600752989 0.17512699257331 0.95423305731197 15.999 > 11 139 O 0.15412600752989 0.67512699257331 0.95423305731197 15.999 > 11 140 O 0.65412600752989 0.67512699257331 0.95423305731197 15.999 > 11 141 O 0.32487300742669 0.47899901495658 0.95423305731197 15.999 > 12 142 O 0.82487300742669 0.47899901495658 0.95423305731197 15.999 > 12 143 O 0.32487300742669 0.97899901495658 0.95423305731197 15.999 > 12 144 O 0.82487300742669 0.97899901495658 0.95423305731197 15.999 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8219938 -0.0000004 0.0000000 0.0000004 2.8219938 0.0000000 0.0000000 0.0000000 2.7350009 -------------------------- Born effective charges -------------------------- 1 K 1.2134049 -0.0023165 -0.0000000 0.0023165 1.2134049 0.0000000 0.0000000 -0.0000000 1.4497925 2 Sb 5.1968404 -0.7258344 -0.0000000 0.7258344 5.1968404 0.0000000 0.0000000 -0.0000000 3.4005359 3 P 3.6280634 0.7882077 -0.0000000 -0.7882077 3.6280634 0.0000000 0.0000000 -0.0000000 3.0312884 4 P 3.6280634 0.7882077 -0.0000000 -0.7882077 3.6280634 0.0000000 0.0000000 -0.0000000 3.0312884 5 O -1.1101564 -0.0840331 -0.0000000 0.0840331 -1.1101564 0.0000000 0.0000000 -0.0000000 -1.8698064 6 O -2.0182537 -0.8300825 -0.6884536 -0.6033497 -1.7970995 -0.4257404 -0.5517174 -0.4273610 -1.1955488 7 O -1.1101564 -0.0840331 -0.0000000 0.0840331 -1.1101564 0.0000000 0.0000000 -0.0000000 -1.8698064 8 O -2.4730824 0.3407542 0.7129288 0.5674870 -1.3422708 -0.3833481 0.6459642 -0.2641208 -1.1955488 9 O -2.4730824 0.3407542 0.7129288 0.5674870 -1.3422708 -0.3833481 0.6459642 -0.2641208 -1.1955488 10 O -1.2316937 0.1492291 -0.0244753 0.3759619 -2.5836595 0.8090885 -0.0942467 0.6914818 -1.1955488 11 O -1.2316937 0.1492291 -0.0244753 0.3759619 -2.5836595 0.8090885 -0.0942467 0.6914818 -1.1955488 12 O -2.0182537 -0.8300825 -0.6884536 -0.6033497 -1.7970995 -0.4257404 -0.5517174 -0.4273610 -1.1955488 ---------------------------------------------------------------------------- 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: 10440/10440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1356 Number of blocks in projector: 644 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 628 Use submatrix version of eigh solver. (1) Block: 500 / 628 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 628 / 628 (1) 123 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 246 eigenvectors found. (2) Block: 544 / 544 (2) 290 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 184 Use standard eigh solver. Tree of FC basis block matrices: - (1356, 1336), data: False |-- (184, 179), data: True |-- (544, 540), data: False |-- (544, 540), data: False |-- (544, 4), data: (544, 8) @ (8, 4) |-- (294, 290), data: True |-- (250, 246), data: True |-- (628, 617), data: False |-- (628, 5), data: (628, 16) @ (16, 5) |-- (128, 123), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.017 Solver_block: 100 / 240 - Time: 2.666 Solver_block: 200 / 240 - Time: 2.503 Solver_block: 240 / 240 - Time: 1.164 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.384 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 10440/10440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1356 Number of blocks in projector: 644 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 628 Use submatrix version of eigh solver. (1) Block: 500 / 628 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 628 / 628 (1) 123 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 246 eigenvectors found. (2) Block: 544 / 544 (2) 290 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 184 Use standard eigh solver. Tree of FC basis block matrices: - (1356, 1336), data: False |-- (184, 179), data: True |-- (544, 540), data: False |-- (544, 540), data: False |-- (544, 4), data: (544, 8) @ (8, 4) |-- (294, 290), data: True |-- (250, 246), data: True |-- (628, 617), data: False |-- (628, 5), data: (628, 16) @ (16, 5) |-- (128, 123), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:58:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:58:27]------------------------- 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): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.395636705725268 1.383121496931029 8.583450659999992 b -2.395636705725262 1.383121496931029 8.583450659999992 c 0.000000000000002 -2.766242993862061 8.583450659999992 Atomic positions (fractional): 1 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 2 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 3 P 0.73502001544348 0.73502001544348 0.73502001544348 30.974 4 P 0.26497998455652 0.26497998455652 0.26497998455652 30.974 5 O 0.79276895086774 0.79276895086774 0.79276895086774 15.999 6 O 0.39602092783466 0.73751492762824 0.00376497260119 15.999 7 O 0.20723104913226 0.20723104913226 0.20723104913226 15.999 8 O 0.00376497260119 0.39602092783466 0.73751492762824 15.999 9 O 0.99623502739881 0.60397907216534 0.26248507237176 15.999 10 O 0.73751492762824 0.00376497260119 0.39602092783466 15.999 11 O 0.26248507237176 0.99623502739881 0.60397907216534 15.999 12 O 0.60397907216534 0.26248507237176 0.99623502739881 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.582546822901060 0.000000000000000 0.000000000000000 b -4.791273411450530 8.298728981586180 0.000000000000000 c 0.000000000000000 0.000000000000000 25.750351980000001 Atomic positions (fractional): 1 K 0.16666666666667 0.33333333333333 0.16666666666667 39.098 > 1 2 K 0.66666666666667 0.33333333333333 0.16666666666667 39.098 > 1 3 K 0.16666666666667 0.83333333333333 0.16666666666667 39.098 > 1 4 K 0.66666666666667 0.83333333333333 0.16666666666667 39.098 > 1 5 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 1 6 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 1 7 K 0.00000000000000 0.50000000000000 0.50000000000000 39.098 > 1 8 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 1 9 K 0.33333333333333 0.16666666666667 0.83333333333333 39.098 > 1 10 K 0.83333333333333 0.16666666666667 0.83333333333333 39.098 > 1 11 K 0.33333333333333 0.66666666666667 0.83333333333333 39.098 > 1 12 K 0.83333333333333 0.66666666666667 0.83333333333333 39.098 > 1 13 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 13 14 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 13 15 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 13 16 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 > 13 17 Sb 0.33333333333333 0.16666666666667 0.33333333333333 121.760 > 13 18 Sb 0.83333333333333 0.16666666666667 0.33333333333333 121.760 > 13 19 Sb 0.33333333333333 0.66666666666667 0.33333333333333 121.760 > 13 20 Sb 0.83333333333333 0.66666666666667 0.33333333333333 121.760 > 13 21 Sb 0.16666666666667 0.33333333333333 0.66666666666667 121.760 > 13 22 Sb 0.66666666666667 0.33333333333333 0.66666666666667 121.760 > 13 23 Sb 0.16666666666667 0.83333333333333 0.66666666666667 121.760 > 13 24 Sb 0.66666666666667 0.83333333333333 0.66666666666667 121.760 > 13 25 P 0.33333333333333 0.16666666666667 0.06835334877682 30.974 > 25 26 P 0.83333333333333 0.16666666666667 0.06835334877682 30.974 > 25 27 P 0.33333333333333 0.66666666666667 0.06835334877682 30.974 > 25 28 P 0.83333333333333 0.66666666666667 0.06835334877682 30.974 > 25 29 P 0.00000000000000 0.00000000000000 0.26497998455652 30.974 > 29 30 P 0.50000000000000 0.00000000000000 0.26497998455652 30.974 > 29 31 P 0.00000000000000 0.50000000000000 0.26497998455652 30.974 > 29 32 P 0.50000000000000 0.50000000000000 0.26497998455652 30.974 > 29 33 P 0.16666666666667 0.33333333333333 0.40168668211015 30.974 > 25 34 P 0.66666666666667 0.33333333333333 0.40168668211015 30.974 > 25 35 P 0.16666666666667 0.83333333333333 0.40168668211015 30.974 > 25 36 P 0.66666666666667 0.83333333333333 0.40168668211015 30.974 > 25 37 P 0.33333333333333 0.16666666666667 0.59831331788985 30.974 > 29 38 P 0.83333333333333 0.16666666666667 0.59831331788985 30.974 > 29 39 P 0.33333333333333 0.66666666666667 0.59831331788985 30.974 > 29 40 P 0.83333333333333 0.66666666666667 0.59831331788985 30.974 > 29 41 P 0.00000000000000 0.00000000000000 0.73502001544348 30.974 > 25 42 P 0.50000000000000 0.00000000000000 0.73502001544348 30.974 > 25 43 P 0.00000000000000 0.50000000000000 0.73502001544348 30.974 > 25 44 P 0.50000000000000 0.50000000000000 0.73502001544348 30.974 > 25 45 P 0.16666666666667 0.33333333333333 0.93164665122318 30.974 > 29 46 P 0.66666666666667 0.33333333333333 0.93164665122318 30.974 > 29 47 P 0.16666666666667 0.83333333333333 0.93164665122318 30.974 > 29 48 P 0.66666666666667 0.83333333333333 0.93164665122318 30.974 > 29 49 O 0.33333333333333 0.16666666666667 0.12610228420107 15.999 > 49 50 O 0.83333333333333 0.16666666666667 0.12610228420107 15.999 > 49 51 O 0.33333333333333 0.66666666666667 0.12610228420107 15.999 > 49 52 O 0.83333333333333 0.66666666666667 0.12610228420107 15.999 > 49 53 O 0.17512699257331 0.02100098504342 0.04576694268803 15.999 > 53 54 O 0.67512699257331 0.02100098504342 0.04576694268803 15.999 > 53 55 O 0.17512699257331 0.52100098504342 0.04576694268803 15.999 > 53 56 O 0.67512699257331 0.52100098504342 0.04576694268803 15.999 > 53 57 O 0.00000000000000 0.00000000000000 0.20723104913226 15.999 > 57 58 O 0.50000000000000 0.00000000000000 0.20723104913226 15.999 > 57 59 O 0.00000000000000 0.50000000000000 0.20723104913226 15.999 > 57 60 O 0.50000000000000 0.50000000000000 0.20723104913226 15.999 > 57 61 O 0.47899901495658 0.15412600752989 0.04576694268803 15.999 > 61 62 O 0.97899901495658 0.15412600752989 0.04576694268803 15.999 > 61 63 O 0.47899901495658 0.65412600752989 0.04576694268803 15.999 > 61 64 O 0.97899901495658 0.65412600752989 0.04576694268803 15.999 > 61 65 O 0.35433431837675 0.01254065913677 0.28756639064530 15.999 > 65 66 O 0.85433431837675 0.01254065913677 0.28756639064530 15.999 > 65 67 O 0.35433431837675 0.51254065913677 0.28756639064530 15.999 > 65 68 O 0.85433431837675 0.51254065913677 0.28756639064530 15.999 > 65 69 O 0.34587399247011 0.32487300742669 0.04576694268803 15.999 > 69 70 O 0.84587399247011 0.32487300742669 0.04576694268803 15.999 > 69 71 O 0.34587399247011 0.82487300742669 0.04576694268803 15.999 > 69 72 O 0.84587399247011 0.82487300742669 0.04576694268803 15.999 > 69 73 O 0.48745934086323 0.34179365923998 0.28756639064530 15.999 > 73 74 O 0.98745934086323 0.34179365923998 0.28756639064530 15.999 > 73 75 O 0.48745934086323 0.84179365923998 0.28756639064530 15.999 > 73 76 O 0.98745934086323 0.84179365923998 0.28756639064530 15.999 > 73 77 O 0.15820634076002 0.14566568162325 0.28756639064530 15.999 > 77 78 O 0.65820634076002 0.14566568162325 0.28756639064530 15.999 > 77 79 O 0.15820634076002 0.64566568162325 0.28756639064530 15.999 > 77 80 O 0.65820634076002 0.64566568162325 0.28756639064530 15.999 > 77 81 O 0.16666666666667 0.33333333333333 0.45943561753440 15.999 > 49 82 O 0.66666666666667 0.33333333333333 0.45943561753440 15.999 > 49 83 O 0.16666666666667 0.83333333333333 0.45943561753440 15.999 > 49 84 O 0.66666666666667 0.83333333333333 0.45943561753440 15.999 > 49 85 O 0.00846032590665 0.18766765171009 0.37910027602136 15.999 > 53 86 O 0.50846032590665 0.18766765171009 0.37910027602136 15.999 > 53 87 O 0.00846032590665 0.68766765171009 0.37910027602136 15.999 > 53 88 O 0.50846032590665 0.68766765171009 0.37910027602136 15.999 > 53 89 O 0.33333333333333 0.16666666666667 0.54056438246560 15.999 > 57 90 O 0.83333333333333 0.16666666666667 0.54056438246560 15.999 > 57 91 O 0.33333333333333 0.66666666666667 0.54056438246560 15.999 > 57 92 O 0.83333333333333 0.66666666666667 0.54056438246560 15.999 > 57 93 O 0.31233234828991 0.32079267419656 0.37910027602136 15.999 > 61 94 O 0.81233234828991 0.32079267419656 0.37910027602136 15.999 > 61 95 O 0.31233234828991 0.82079267419656 0.37910027602136 15.999 > 61 96 O 0.81233234828991 0.82079267419656 0.37910027602136 15.999 > 61 97 O 0.18766765171009 0.17920732580344 0.62089972397864 15.999 > 65 98 O 0.68766765171009 0.17920732580344 0.62089972397864 15.999 > 65 99 O 0.18766765171009 0.67920732580344 0.62089972397864 15.999 > 65 100 O 0.68766765171009 0.67920732580344 0.62089972397864 15.999 > 65 101 O 0.17920732580344 0.49153967409335 0.37910027602136 15.999 > 69 102 O 0.67920732580344 0.49153967409335 0.37910027602136 15.999 > 69 103 O 0.17920732580344 0.99153967409335 0.37910027602136 15.999 > 69 104 O 0.67920732580344 0.99153967409335 0.37910027602136 15.999 > 69 105 O 0.32079267419656 0.00846032590665 0.62089972397864 15.999 > 73 106 O 0.82079267419656 0.00846032590665 0.62089972397864 15.999 > 73 107 O 0.32079267419656 0.50846032590665 0.62089972397864 15.999 > 73 108 O 0.82079267419656 0.50846032590665 0.62089972397864 15.999 > 73 109 O 0.49153967409335 0.31233234828991 0.62089972397864 15.999 > 77 110 O 0.99153967409335 0.31233234828991 0.62089972397864 15.999 > 77 111 O 0.49153967409335 0.81233234828991 0.62089972397864 15.999 > 77 112 O 0.99153967409335 0.81233234828991 0.62089972397864 15.999 > 77 113 O 0.00000000000000 0.00000000000000 0.79276895086774 15.999 > 49 114 O 0.50000000000000 0.00000000000000 0.79276895086774 15.999 > 49 115 O 0.00000000000000 0.50000000000000 0.79276895086774 15.999 > 49 116 O 0.50000000000000 0.50000000000000 0.79276895086774 15.999 > 49 117 O 0.34179365923998 0.35433431837675 0.71243360935470 15.999 > 53 118 O 0.84179365923998 0.35433431837675 0.71243360935470 15.999 > 53 119 O 0.34179365923998 0.85433431837675 0.71243360935470 15.999 > 53 120 O 0.84179365923998 0.85433431837675 0.71243360935470 15.999 > 53 121 O 0.16666666666667 0.33333333333333 0.87389771579893 15.999 > 57 122 O 0.66666666666667 0.33333333333333 0.87389771579893 15.999 > 57 123 O 0.16666666666667 0.83333333333333 0.87389771579893 15.999 > 57 124 O 0.66666666666667 0.83333333333333 0.87389771579893 15.999 > 57 125 O 0.14566568162325 0.48745934086323 0.71243360935470 15.999 > 61 126 O 0.64566568162325 0.48745934086323 0.71243360935470 15.999 > 61 127 O 0.14566568162325 0.98745934086323 0.71243360935470 15.999 > 61 128 O 0.64566568162325 0.98745934086323 0.71243360935470 15.999 > 61 129 O 0.02100098504342 0.34587399247011 0.95423305731197 15.999 > 65 130 O 0.52100098504342 0.34587399247011 0.95423305731197 15.999 > 65 131 O 0.02100098504342 0.84587399247011 0.95423305731197 15.999 > 65 132 O 0.52100098504342 0.84587399247011 0.95423305731197 15.999 > 65 133 O 0.01254065913677 0.15820634076002 0.71243360935470 15.999 > 69 134 O 0.51254065913677 0.15820634076002 0.71243360935470 15.999 > 69 135 O 0.01254065913677 0.65820634076002 0.71243360935470 15.999 > 69 136 O 0.51254065913677 0.65820634076002 0.71243360935470 15.999 > 69 137 O 0.15412600752989 0.17512699257331 0.95423305731197 15.999 > 73 138 O 0.65412600752989 0.17512699257331 0.95423305731197 15.999 > 73 139 O 0.15412600752989 0.67512699257331 0.95423305731197 15.999 > 73 140 O 0.65412600752989 0.67512699257331 0.95423305731197 15.999 > 73 141 O 0.32487300742669 0.47899901495658 0.95423305731197 15.999 > 77 142 O 0.82487300742669 0.47899901495658 0.95423305731197 15.999 > 77 143 O 0.32487300742669 0.97899901495658 0.95423305731197 15.999 > 77 144 O 0.82487300742669 0.97899901495658 0.95423305731197 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8219938 -0.0000004 0.0000000 0.0000004 2.8219938 0.0000000 0.0000000 0.0000000 2.7350009 -------------------------- Born effective charges -------------------------- 1 K 1.2134049 -0.0023165 -0.0000000 0.0023165 1.2134049 0.0000000 0.0000000 -0.0000000 1.4497925 2 Sb 5.1968404 -0.7258344 -0.0000000 0.7258344 5.1968404 0.0000000 0.0000000 -0.0000000 3.4005359 3 P 3.6280634 0.7882077 -0.0000000 -0.7882077 3.6280634 0.0000000 0.0000000 -0.0000000 3.0312884 4 P 3.6280634 0.7882077 -0.0000000 -0.7882077 3.6280634 0.0000000 0.0000000 -0.0000000 3.0312884 5 O -1.1101564 -0.0840331 -0.0000000 0.0840331 -1.1101564 0.0000000 0.0000000 -0.0000000 -1.8698064 6 O -2.0182537 -0.8300825 -0.6884536 -0.6033497 -1.7970995 -0.4257404 -0.5517174 -0.4273610 -1.1955488 7 O -1.1101564 -0.0840331 -0.0000000 0.0840331 -1.1101564 0.0000000 0.0000000 -0.0000000 -1.8698064 8 O -2.4730824 0.3407542 0.7129288 0.5674870 -1.3422708 -0.3833481 0.6459642 -0.2641208 -1.1955488 9 O -2.4730824 0.3407542 0.7129288 0.5674870 -1.3422708 -0.3833481 0.6459642 -0.2641208 -1.1955488 10 O -1.2316937 0.1492291 -0.0244753 0.3759619 -2.5836595 0.8090885 -0.0942467 0.6914818 -1.1955488 11 O -1.2316937 0.1492291 -0.0244753 0.3759619 -2.5836595 0.8090885 -0.0942467 0.6914818 -1.1955488 12 O -2.0182537 -0.8300825 -0.6884536 -0.6033497 -1.7970995 -0.4257404 -0.5517174 -0.4273610 -1.1955488 ---------------------------------------------------------------------------- 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 0.0000 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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: 0.00000006 (xxx) 0.00000006 (xxx) 0.00000006 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000007 (xy) -0.00000007 (xy) 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 2026-01-08 10:58:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:58:50]------------------------- 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): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.395636705725268 1.383121496931029 8.583450659999992 b -2.395636705725262 1.383121496931029 8.583450659999992 c 0.000000000000002 -2.766242993862061 8.583450659999992 Atomic positions (fractional): 1 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 2 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 3 P 0.73502001544348 0.73502001544348 0.73502001544348 30.974 4 P 0.26497998455652 0.26497998455652 0.26497998455652 30.974 5 O 0.79276895086774 0.79276895086774 0.79276895086774 15.999 6 O 0.39602092783466 0.73751492762824 0.00376497260119 15.999 7 O 0.20723104913226 0.20723104913226 0.20723104913226 15.999 8 O 0.00376497260119 0.39602092783466 0.73751492762824 15.999 9 O 0.99623502739881 0.60397907216534 0.26248507237176 15.999 10 O 0.73751492762824 0.00376497260119 0.39602092783466 15.999 11 O 0.26248507237176 0.99623502739881 0.60397907216534 15.999 12 O 0.60397907216534 0.26248507237176 0.99623502739881 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.582546822901060 0.000000000000000 0.000000000000000 b -4.791273411450530 8.298728981586180 0.000000000000000 c 0.000000000000000 0.000000000000000 25.750351980000001 Atomic positions (fractional): 1 K 0.16666666666667 0.33333333333333 0.16666666666667 39.098 > 1 2 K 0.66666666666667 0.33333333333333 0.16666666666667 39.098 > 1 3 K 0.16666666666667 0.83333333333333 0.16666666666667 39.098 > 1 4 K 0.66666666666667 0.83333333333333 0.16666666666667 39.098 > 1 5 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 1 6 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 1 7 K 0.00000000000000 0.50000000000000 0.50000000000000 39.098 > 1 8 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 1 9 K 0.33333333333333 0.16666666666667 0.83333333333333 39.098 > 1 10 K 0.83333333333333 0.16666666666667 0.83333333333333 39.098 > 1 11 K 0.33333333333333 0.66666666666667 0.83333333333333 39.098 > 1 12 K 0.83333333333333 0.66666666666667 0.83333333333333 39.098 > 1 13 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 13 14 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 13 15 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 13 16 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 > 13 17 Sb 0.33333333333333 0.16666666666667 0.33333333333333 121.760 > 13 18 Sb 0.83333333333333 0.16666666666667 0.33333333333333 121.760 > 13 19 Sb 0.33333333333333 0.66666666666667 0.33333333333333 121.760 > 13 20 Sb 0.83333333333333 0.66666666666667 0.33333333333333 121.760 > 13 21 Sb 0.16666666666667 0.33333333333333 0.66666666666667 121.760 > 13 22 Sb 0.66666666666667 0.33333333333333 0.66666666666667 121.760 > 13 23 Sb 0.16666666666667 0.83333333333333 0.66666666666667 121.760 > 13 24 Sb 0.66666666666667 0.83333333333333 0.66666666666667 121.760 > 13 25 P 0.33333333333333 0.16666666666667 0.06835334877682 30.974 > 25 26 P 0.83333333333333 0.16666666666667 0.06835334877682 30.974 > 25 27 P 0.33333333333333 0.66666666666667 0.06835334877682 30.974 > 25 28 P 0.83333333333333 0.66666666666667 0.06835334877682 30.974 > 25 29 P 0.00000000000000 0.00000000000000 0.26497998455652 30.974 > 29 30 P 0.50000000000000 0.00000000000000 0.26497998455652 30.974 > 29 31 P 0.00000000000000 0.50000000000000 0.26497998455652 30.974 > 29 32 P 0.50000000000000 0.50000000000000 0.26497998455652 30.974 > 29 33 P 0.16666666666667 0.33333333333333 0.40168668211015 30.974 > 25 34 P 0.66666666666667 0.33333333333333 0.40168668211015 30.974 > 25 35 P 0.16666666666667 0.83333333333333 0.40168668211015 30.974 > 25 36 P 0.66666666666667 0.83333333333333 0.40168668211015 30.974 > 25 37 P 0.33333333333333 0.16666666666667 0.59831331788985 30.974 > 29 38 P 0.83333333333333 0.16666666666667 0.59831331788985 30.974 > 29 39 P 0.33333333333333 0.66666666666667 0.59831331788985 30.974 > 29 40 P 0.83333333333333 0.66666666666667 0.59831331788985 30.974 > 29 41 P 0.00000000000000 0.00000000000000 0.73502001544348 30.974 > 25 42 P 0.50000000000000 0.00000000000000 0.73502001544348 30.974 > 25 43 P 0.00000000000000 0.50000000000000 0.73502001544348 30.974 > 25 44 P 0.50000000000000 0.50000000000000 0.73502001544348 30.974 > 25 45 P 0.16666666666667 0.33333333333333 0.93164665122318 30.974 > 29 46 P 0.66666666666667 0.33333333333333 0.93164665122318 30.974 > 29 47 P 0.16666666666667 0.83333333333333 0.93164665122318 30.974 > 29 48 P 0.66666666666667 0.83333333333333 0.93164665122318 30.974 > 29 49 O 0.33333333333333 0.16666666666667 0.12610228420107 15.999 > 49 50 O 0.83333333333333 0.16666666666667 0.12610228420107 15.999 > 49 51 O 0.33333333333333 0.66666666666667 0.12610228420107 15.999 > 49 52 O 0.83333333333333 0.66666666666667 0.12610228420107 15.999 > 49 53 O 0.17512699257331 0.02100098504342 0.04576694268803 15.999 > 53 54 O 0.67512699257331 0.02100098504342 0.04576694268803 15.999 > 53 55 O 0.17512699257331 0.52100098504342 0.04576694268803 15.999 > 53 56 O 0.67512699257331 0.52100098504342 0.04576694268803 15.999 > 53 57 O 0.00000000000000 0.00000000000000 0.20723104913226 15.999 > 57 58 O 0.50000000000000 0.00000000000000 0.20723104913226 15.999 > 57 59 O 0.00000000000000 0.50000000000000 0.20723104913226 15.999 > 57 60 O 0.50000000000000 0.50000000000000 0.20723104913226 15.999 > 57 61 O 0.47899901495658 0.15412600752989 0.04576694268803 15.999 > 61 62 O 0.97899901495658 0.15412600752989 0.04576694268803 15.999 > 61 63 O 0.47899901495658 0.65412600752989 0.04576694268803 15.999 > 61 64 O 0.97899901495658 0.65412600752989 0.04576694268803 15.999 > 61 65 O 0.35433431837675 0.01254065913677 0.28756639064530 15.999 > 65 66 O 0.85433431837675 0.01254065913677 0.28756639064530 15.999 > 65 67 O 0.35433431837675 0.51254065913677 0.28756639064530 15.999 > 65 68 O 0.85433431837675 0.51254065913677 0.28756639064530 15.999 > 65 69 O 0.34587399247011 0.32487300742669 0.04576694268803 15.999 > 69 70 O 0.84587399247011 0.32487300742669 0.04576694268803 15.999 > 69 71 O 0.34587399247011 0.82487300742669 0.04576694268803 15.999 > 69 72 O 0.84587399247011 0.82487300742669 0.04576694268803 15.999 > 69 73 O 0.48745934086323 0.34179365923998 0.28756639064530 15.999 > 73 74 O 0.98745934086323 0.34179365923998 0.28756639064530 15.999 > 73 75 O 0.48745934086323 0.84179365923998 0.28756639064530 15.999 > 73 76 O 0.98745934086323 0.84179365923998 0.28756639064530 15.999 > 73 77 O 0.15820634076002 0.14566568162325 0.28756639064530 15.999 > 77 78 O 0.65820634076002 0.14566568162325 0.28756639064530 15.999 > 77 79 O 0.15820634076002 0.64566568162325 0.28756639064530 15.999 > 77 80 O 0.65820634076002 0.64566568162325 0.28756639064530 15.999 > 77 81 O 0.16666666666667 0.33333333333333 0.45943561753440 15.999 > 49 82 O 0.66666666666667 0.33333333333333 0.45943561753440 15.999 > 49 83 O 0.16666666666667 0.83333333333333 0.45943561753440 15.999 > 49 84 O 0.66666666666667 0.83333333333333 0.45943561753440 15.999 > 49 85 O 0.00846032590665 0.18766765171009 0.37910027602136 15.999 > 53 86 O 0.50846032590665 0.18766765171009 0.37910027602136 15.999 > 53 87 O 0.00846032590665 0.68766765171009 0.37910027602136 15.999 > 53 88 O 0.50846032590665 0.68766765171009 0.37910027602136 15.999 > 53 89 O 0.33333333333333 0.16666666666667 0.54056438246560 15.999 > 57 90 O 0.83333333333333 0.16666666666667 0.54056438246560 15.999 > 57 91 O 0.33333333333333 0.66666666666667 0.54056438246560 15.999 > 57 92 O 0.83333333333333 0.66666666666667 0.54056438246560 15.999 > 57 93 O 0.31233234828991 0.32079267419656 0.37910027602136 15.999 > 61 94 O 0.81233234828991 0.32079267419656 0.37910027602136 15.999 > 61 95 O 0.31233234828991 0.82079267419656 0.37910027602136 15.999 > 61 96 O 0.81233234828991 0.82079267419656 0.37910027602136 15.999 > 61 97 O 0.18766765171009 0.17920732580344 0.62089972397864 15.999 > 65 98 O 0.68766765171009 0.17920732580344 0.62089972397864 15.999 > 65 99 O 0.18766765171009 0.67920732580344 0.62089972397864 15.999 > 65 100 O 0.68766765171009 0.67920732580344 0.62089972397864 15.999 > 65 101 O 0.17920732580344 0.49153967409335 0.37910027602136 15.999 > 69 102 O 0.67920732580344 0.49153967409335 0.37910027602136 15.999 > 69 103 O 0.17920732580344 0.99153967409335 0.37910027602136 15.999 > 69 104 O 0.67920732580344 0.99153967409335 0.37910027602136 15.999 > 69 105 O 0.32079267419656 0.00846032590665 0.62089972397864 15.999 > 73 106 O 0.82079267419656 0.00846032590665 0.62089972397864 15.999 > 73 107 O 0.32079267419656 0.50846032590665 0.62089972397864 15.999 > 73 108 O 0.82079267419656 0.50846032590665 0.62089972397864 15.999 > 73 109 O 0.49153967409335 0.31233234828991 0.62089972397864 15.999 > 77 110 O 0.99153967409335 0.31233234828991 0.62089972397864 15.999 > 77 111 O 0.49153967409335 0.81233234828991 0.62089972397864 15.999 > 77 112 O 0.99153967409335 0.81233234828991 0.62089972397864 15.999 > 77 113 O 0.00000000000000 0.00000000000000 0.79276895086774 15.999 > 49 114 O 0.50000000000000 0.00000000000000 0.79276895086774 15.999 > 49 115 O 0.00000000000000 0.50000000000000 0.79276895086774 15.999 > 49 116 O 0.50000000000000 0.50000000000000 0.79276895086774 15.999 > 49 117 O 0.34179365923998 0.35433431837675 0.71243360935470 15.999 > 53 118 O 0.84179365923998 0.35433431837675 0.71243360935470 15.999 > 53 119 O 0.34179365923998 0.85433431837675 0.71243360935470 15.999 > 53 120 O 0.84179365923998 0.85433431837675 0.71243360935470 15.999 > 53 121 O 0.16666666666667 0.33333333333333 0.87389771579893 15.999 > 57 122 O 0.66666666666667 0.33333333333333 0.87389771579893 15.999 > 57 123 O 0.16666666666667 0.83333333333333 0.87389771579893 15.999 > 57 124 O 0.66666666666667 0.83333333333333 0.87389771579893 15.999 > 57 125 O 0.14566568162325 0.48745934086323 0.71243360935470 15.999 > 61 126 O 0.64566568162325 0.48745934086323 0.71243360935470 15.999 > 61 127 O 0.14566568162325 0.98745934086323 0.71243360935470 15.999 > 61 128 O 0.64566568162325 0.98745934086323 0.71243360935470 15.999 > 61 129 O 0.02100098504342 0.34587399247011 0.95423305731197 15.999 > 65 130 O 0.52100098504342 0.34587399247011 0.95423305731197 15.999 > 65 131 O 0.02100098504342 0.84587399247011 0.95423305731197 15.999 > 65 132 O 0.52100098504342 0.84587399247011 0.95423305731197 15.999 > 65 133 O 0.01254065913677 0.15820634076002 0.71243360935470 15.999 > 69 134 O 0.51254065913677 0.15820634076002 0.71243360935470 15.999 > 69 135 O 0.01254065913677 0.65820634076002 0.71243360935470 15.999 > 69 136 O 0.51254065913677 0.65820634076002 0.71243360935470 15.999 > 69 137 O 0.15412600752989 0.17512699257331 0.95423305731197 15.999 > 73 138 O 0.65412600752989 0.17512699257331 0.95423305731197 15.999 > 73 139 O 0.15412600752989 0.67512699257331 0.95423305731197 15.999 > 73 140 O 0.65412600752989 0.67512699257331 0.95423305731197 15.999 > 73 141 O 0.32487300742669 0.47899901495658 0.95423305731197 15.999 > 77 142 O 0.82487300742669 0.47899901495658 0.95423305731197 15.999 > 77 143 O 0.32487300742669 0.97899901495658 0.95423305731197 15.999 > 77 144 O 0.82487300742669 0.97899901495658 0.95423305731197 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8219938 -0.0000004 0.0000000 0.0000004 2.8219938 0.0000000 0.0000000 0.0000000 2.7350009 -------------------------- Born effective charges -------------------------- 1 K 1.2134049 -0.0023165 -0.0000000 0.0023165 1.2134049 0.0000000 0.0000000 -0.0000000 1.4497925 2 Sb 5.1968404 -0.7258344 -0.0000000 0.7258344 5.1968404 0.0000000 0.0000000 -0.0000000 3.4005359 3 P 3.6280634 0.7882077 -0.0000000 -0.7882077 3.6280634 0.0000000 0.0000000 -0.0000000 3.0312884 4 P 3.6280634 0.7882077 -0.0000000 -0.7882077 3.6280634 0.0000000 0.0000000 -0.0000000 3.0312884 5 O -1.1101564 -0.0840331 -0.0000000 0.0840331 -1.1101564 0.0000000 0.0000000 -0.0000000 -1.8698064 6 O -2.0182537 -0.8300825 -0.6884536 -0.6033497 -1.7970995 -0.4257404 -0.5517174 -0.4273610 -1.1955488 7 O -1.1101564 -0.0840331 -0.0000000 0.0840331 -1.1101564 0.0000000 0.0000000 -0.0000000 -1.8698064 8 O -2.4730824 0.3407542 0.7129288 0.5674870 -1.3422708 -0.3833481 0.6459642 -0.2641208 -1.1955488 9 O -2.4730824 0.3407542 0.7129288 0.5674870 -1.3422708 -0.3833481 0.6459642 -0.2641208 -1.1955488 10 O -1.2316937 0.1492291 -0.0244753 0.3759619 -2.5836595 0.8090885 -0.0942467 0.6914818 -1.1955488 11 O -1.2316937 0.1492291 -0.0244753 0.3759619 -2.5836595 0.8090885 -0.0942467 0.6914818 -1.1955488 12 O -2.0182537 -0.8300825 -0.6884536 -0.6033497 -1.7970995 -0.4257404 -0.5517174 -0.4273610 -1.1955488 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000006 (xxx) 0.00000006 (xxx) 0.00000006 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 12 ] 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: 0.75, Number of G-points: 313, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/294) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.152 ( 0.000 0.000 0.000) 0.000 2.152 ( 0.000 0.000 0.000) 0.000 2.624 ( 0.000 0.000 0.000) 0.000 3.955 ( 0.000 0.000 0.000) 0.000 3.955 ( 0.000 0.000 0.000) 0.000 4.065 ( 0.000 0.000 0.000) 0.000 4.065 ( 0.000 0.000 0.000) 0.000 6.657 ( 0.000 0.000 0.000) 0.000 6.657 ( 0.000 0.000 0.000) 0.000 7.058 ( 0.000 0.000 0.000) 0.000 7.693 ( 0.000 0.000 0.000) 0.000 7.927 ( 0.000 0.000 0.000) 0.000 7.927 ( 0.000 0.000 0.000) 0.000 11.441 ( 0.000 0.000 0.000) 0.000 11.999 ( 0.000 0.000 0.000) 0.000 11.999 ( 0.000 0.000 0.000) 0.000 12.391 ( 0.000 0.000 0.000) 0.000 12.391 ( 0.000 0.000 0.000) 0.000 12.957 ( 0.000 0.000 0.000) 0.000 14.502 ( 0.000 0.000 0.000) 0.000 14.515 ( 0.000 0.000 0.000) 0.000 18.052 ( 0.000 0.000 0.000) 0.000 18.052 ( 0.000 0.000 0.000) 0.000 18.167 ( 0.000 0.000 0.000) 0.000 18.167 ( 0.000 0.000 0.000) 0.000 26.779 ( 0.000 0.000 0.000) 0.000 26.779 ( 0.000 0.000 0.000) 0.000 28.040 ( 0.000 0.000 0.000) 0.000 28.040 ( 0.000 0.000 0.000) 0.000 28.942 ( 0.000 0.000 0.000) 0.000 29.089 ( 0.000 0.000 0.000) 0.000 35.168 ( 0.000 0.000 0.000) 0.000 36.790 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/294) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.389 ( 18.900 7.598 3.253) 20.628 0.663 ( 27.292 17.540 0.683) 32.450 1.073 ( 44.395 25.608 2.454) 51.310 2.169 ( 1.195 1.109 0.108) 1.634 2.481 ( 6.414 2.891 -12.116) 14.011 2.603 ( -7.458 -3.447 17.582) 19.407 3.939 ( 2.253 -2.090 -2.148) 3.750 4.024 ( 3.421 6.894 -1.174) 7.785 4.195 ( 8.611 4.920 -0.041) 9.918 4.346 ( 7.876 3.049 1.823) 8.640 6.645 ( -2.905 1.974 0.605) 3.564 6.751 ( 9.359 1.824 1.621) 9.672 6.962 ( -7.549 -4.464 -0.349) 8.777 7.659 ( -3.021 -2.795 1.259) 4.304 7.955 ( 2.241 1.656 0.297) 2.803 9.240 ( -4.063 -2.151 -13.928) 14.667 11.435 ( -0.199 -0.104 -0.035) 0.228 11.989 ( -1.456 -0.173 0.174) 1.477 12.327 ( -4.614 -4.005 -0.421) 6.124 12.384 ( -0.879 1.256 -2.685) 3.092 12.522 ( 3.716 0.818 -6.295) 7.355 12.920 ( -3.210 -1.685 -0.285) 3.637 14.441 ( -7.048 -4.234 5.036) 9.642 14.498 ( -0.426 -0.232 -0.010) 0.485 18.000 ( 0.001 -7.946 -0.152) 7.947 18.131 ( -1.520 13.096 1.749) 13.299 18.268 ( 10.017 2.165 -0.171) 10.250 18.802 ( 3.238 0.341 -5.338) 6.252 26.781 ( 0.416 -0.176 -0.283) 0.533 26.912 ( 10.513 6.627 2.273) 12.634 28.046 ( 0.513 0.335 0.121) 0.625 28.910 ( -1.335 -0.742 -5.231) 5.450 29.069 ( -2.077 -1.284 2.782) 3.701 31.527 ( 11.412 6.302 -63.342) 64.670 35.241 ( -6.124 -3.634 42.943) 43.529 36.714 ( -6.431 -3.706 0.019) 7.423 ======================= Grid point 2 (3/294) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 21.663 10.388 -0.070) 24.025 1.292 ( 25.054 15.768 0.163) 29.603 2.012 ( 33.325 18.994 -0.459) 38.361 2.216 ( 2.402 2.069 0.374) 3.192 2.485 ( -5.349 -2.397 6.751) 8.940 2.654 ( 12.726 6.085 -1.376) 14.172 3.990 ( 5.246 -0.744 -0.459) 5.318 4.177 ( 4.619 9.237 -1.150) 10.391 4.399 ( 9.536 3.815 -3.310) 10.791 4.603 ( 14.080 7.465 3.212) 16.257 6.562 ( -9.776 -0.681 -0.293) 9.804 6.766 ( -7.639 -2.726 0.408) 8.121 7.017 ( 16.975 2.129 3.672) 17.497 7.536 ( -6.724 -5.044 0.890) 8.452 8.035 ( 3.446 3.790 0.091) 5.123 9.031 ( -10.607 -6.140 -9.454) 15.479 11.444 ( 0.962 0.687 -0.155) 1.192 11.943 ( -3.484 0.283 -0.727) 3.570 12.164 ( -6.550 -7.886 -0.738) 10.278 12.357 ( -3.289 0.603 -1.371) 3.614 12.569 ( 2.484 -3.254 1.082) 4.234 12.850 ( -2.182 2.665 -4.049) 5.316 14.285 ( -6.443 -3.424 1.501) 7.449 14.485 ( -0.529 -0.544 -0.608) 0.972 17.908 ( -1.384 -7.864 0.406) 7.995 18.227 ( 0.985 7.297 -0.824) 7.409 18.505 ( 7.817 9.644 -1.472) 12.501 18.880 ( 6.778 -0.203 2.698) 7.298 26.789 ( 0.871 -0.187 -0.486) 1.015 27.255 ( 16.170 10.925 4.002) 19.921 28.061 ( 0.838 0.010 0.093) 0.843 28.853 ( -2.535 -1.353 -1.654) 3.316 29.016 ( -2.465 -1.929 1.092) 3.315 31.603 ( 8.429 4.615 -31.754) 33.176 35.237 ( -2.788 -1.783 19.479) 19.758 36.506 ( -11.094 -6.363 -0.258) 12.792 ======================= Grid point 3 (4/294) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 22.617 11.645 -3.052) 25.621 1.815 ( 18.204 10.707 -1.054) 21.146 2.300 ( -0.873 -3.009 0.717) 3.214 2.316 ( 4.249 6.523 1.635) 7.955 2.605 ( 10.631 5.488 1.230) 12.028 3.142 ( 27.993 14.345 3.562) 31.655 4.090 ( 5.733 0.948 1.712) 6.058 4.343 ( 4.834 7.305 -1.059) 8.823 4.567 ( 6.217 3.787 -2.812) 7.804 4.983 ( 18.451 9.569 0.848) 20.802 6.282 ( -15.859 -5.807 -1.541) 16.959 6.678 ( -3.082 0.763 0.933) 3.309 7.278 ( 1.211 -11.567 3.219) 12.067 7.436 ( 7.654 8.789 1.560) 11.758 8.137 ( 2.716 5.214 -0.298) 5.886 8.702 ( -14.467 -9.480 -6.697) 18.548 11.467 ( -0.105 1.030 0.016) 1.036 11.879 ( -5.475 0.818 -1.819) 5.827 11.965 ( -2.849 -10.299 -1.095) 10.742 12.256 ( -6.967 -1.651 0.358) 7.169 12.534 ( -0.834 -5.211 2.792) 5.971 12.923 ( 4.354 8.980 -4.812) 11.080 14.173 ( -4.078 -1.567 0.967) 4.474 14.463 ( -0.838 -1.421 -0.566) 1.744 17.800 ( -2.864 -6.338 0.518) 6.974 18.317 ( 5.266 0.900 -2.234) 5.790 18.663 ( -0.618 11.088 -3.385) 11.610 19.051 ( 9.651 0.888 6.348) 11.586 26.804 ( 1.222 -0.030 -0.552) 1.341 27.670 ( 15.002 12.625 4.473) 20.111 28.076 ( 1.734 -1.444 -0.025) 2.257 28.784 ( -3.658 -1.933 1.705) 4.475 28.970 ( -0.270 -1.333 -2.229) 2.612 31.698 ( 6.637 3.863 -18.448) 19.983 35.238 ( -1.060 -0.820 10.857) 10.940 36.219 ( -13.030 -7.418 -0.784) 15.014 ======================= Grid point 4 (5/294) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 19.951 10.725 -4.920) 23.179 2.086 ( 6.382 3.487 -1.557) 7.438 2.245 ( -1.979 -1.283 2.200) 3.226 2.554 ( 12.604 6.543 1.773) 14.312 2.799 ( 5.773 4.256 3.028) 7.786 3.750 ( 24.488 10.576 1.738) 26.731 4.218 ( 5.580 3.758 3.167) 7.436 4.474 ( 4.149 3.997 -0.909) 5.832 4.659 ( 0.676 3.407 -1.326) 3.718 5.395 ( 15.622 6.798 -1.246) 17.082 5.955 ( -11.947 -4.088 -1.988) 12.783 6.657 ( -0.069 -0.142 -0.157) 0.223 7.063 ( -9.342 -7.265 1.307) 11.906 7.754 ( 12.464 6.930 2.606) 14.496 8.217 ( -0.563 5.136 0.047) 5.167 8.328 ( -12.527 -11.503 -3.704) 17.406 11.435 ( -4.958 0.591 -0.025) 4.993 11.696 ( -4.917 -10.854 -0.201) 11.918 11.940 ( 1.642 1.323 -2.304) 3.123 12.139 ( -3.503 -0.706 -0.060) 3.574 12.474 ( -2.351 -3.120 2.184) 4.476 13.102 ( 6.108 9.222 -2.866) 11.426 14.115 ( -1.922 -0.033 0.647) 2.028 14.416 ( -1.952 -3.107 -0.286) 3.681 17.694 ( -2.958 -4.368 0.348) 5.287 18.414 ( 8.101 -3.299 -2.167) 9.012 18.709 ( -4.712 10.042 -2.147) 11.298 19.229 ( 6.746 1.239 4.714) 8.323 26.825 ( 1.216 0.136 -0.468) 1.310 28.001 ( 3.476 13.006 2.327) 13.662 28.118 ( 9.036 -4.139 1.216) 10.013 28.699 ( -4.117 -2.112 1.772) 4.954 28.969 ( 1.907 -0.618 -2.561) 3.252 31.785 ( 4.506 2.852 -9.718) 11.085 35.260 ( 0.845 0.283 6.245) 6.308 35.919 ( -12.308 -6.946 -1.303) 14.192 ======================= Grid point 5 (6/294) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 4.688 4.410 -4.867) 8.069 2.179 ( 8.592 3.890 -4.469) 10.437 2.225 ( 0.392 -0.947 6.420) 6.501 2.810 ( 9.983 2.199 -0.099) 10.223 2.911 ( 0.952 3.799 4.051) 5.635 4.164 ( 13.419 2.360 0.836) 13.650 4.400 ( 6.919 8.061 2.008) 10.811 4.581 ( 6.276 1.166 -0.790) 6.432 4.657 ( -2.548 3.420 0.705) 4.323 5.371 ( -13.760 -7.191 -2.925) 15.799 6.008 ( 12.458 4.765 -0.925) 13.370 6.661 ( 0.995 0.564 -1.625) 1.987 6.878 ( -7.059 -1.804 1.978) 7.550 7.905 ( -2.648 -5.886 -1.051) 6.539 8.061 ( -2.961 2.889 1.768) 4.499 8.279 ( 2.192 0.591 -0.424) 2.310 11.312 ( -6.350 -2.341 -0.253) 6.772 11.568 ( -0.670 -5.224 0.314) 5.276 11.952 ( -1.071 0.972 -0.817) 1.661 12.152 ( 3.975 1.379 -1.531) 4.477 12.399 ( -3.959 -2.100 1.776) 4.821 13.271 ( 4.364 6.203 -1.280) 7.692 14.116 ( 0.892 2.046 0.323) 2.255 14.328 ( -3.405 -4.663 -0.091) 5.775 17.620 ( -1.746 -2.168 0.191) 2.790 18.512 ( 8.391 -5.227 -1.311) 9.973 18.697 ( -6.381 8.271 -0.828) 10.479 19.334 ( 3.042 0.592 2.249) 3.829 26.843 ( 0.753 0.148 -0.265) 0.812 28.068 ( -0.626 2.811 -0.021) 2.880 28.302 ( 7.661 2.276 2.029) 8.245 28.619 ( -3.242 -1.445 0.622) 3.603 28.994 ( 1.863 -0.376 -1.359) 2.337 31.844 ( 2.237 1.512 -3.927) 4.766 35.320 ( 3.192 1.660 3.583) 5.077 35.659 ( -9.589 -5.358 -1.664) 11.110 ======================= Grid point 6 (7/294) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 0.000 0.000 -0.000) 0.000 2.214 ( 0.000 0.000 0.000) 0.000 2.323 ( 0.000 0.000 -0.000) 0.000 2.922 ( -0.000 0.000 0.000) 0.000 2.932 ( 0.000 -0.000 -0.000) 0.000 4.287 ( 0.000 0.000 0.000) 0.000 4.512 ( 0.000 0.000 0.000) 0.000 4.582 ( 0.000 -0.000 -0.000) 0.000 4.817 ( 0.000 0.000 -0.000) 0.000 5.085 ( 0.000 0.000 0.000) 0.000 6.161 ( 0.000 0.000 0.000) 0.000 6.711 ( -0.000 0.000 0.000) 0.000 6.778 ( 0.000 0.000 -0.000) 0.000 7.795 ( 0.000 0.000 -0.000) 0.000 8.089 ( 0.000 0.000 0.000) 0.000 8.307 ( 0.000 0.000 -0.000) 0.000 11.235 ( 0.000 0.000 0.000) 0.000 11.540 ( 0.000 0.000 0.000) 0.000 11.943 ( 0.000 0.000 0.000) 0.000 12.219 ( -0.000 -0.000 0.000) 0.000 12.335 ( 0.000 0.000 0.000) 0.000 13.342 ( 0.000 0.000 -0.000) 0.000 14.166 ( 0.000 0.000 -0.000) 0.000 14.241 ( 0.000 0.000 0.000) 0.000 17.594 ( 0.000 0.000 -0.000) 0.000 18.568 ( -0.000 0.000 -0.000) 0.000 18.670 ( 0.000 -0.000 0.000) 0.000 19.366 ( 0.000 0.000 0.000) 0.000 26.850 ( 0.000 0.000 -0.000) 0.000 28.075 ( 0.000 0.000 -0.000) 0.000 28.390 ( 0.000 0.000 0.000) 0.000 28.578 ( 0.000 0.000 0.000) 0.000 29.007 ( 0.000 0.000 0.000) 0.000 31.865 ( 0.000 0.000 -0.000) 0.000 35.401 ( -0.000 -0.000 -0.000) 0.000 35.505 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 14 (8/294) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( -0.719 19.071 2.519) 19.250 0.695 ( -2.021 32.017 6.959) 32.827 1.084 ( 1.287 51.297 4.594) 51.518 2.157 ( 0.729 1.223 -2.380) 2.774 2.419 ( -0.909 7.229 -11.786) 13.856 2.686 ( 1.019 -11.368 20.661) 23.603 3.945 ( 3.642 0.460 -1.178) 3.855 4.031 ( -4.445 6.267 0.278) 7.688 4.194 ( 3.504 11.092 0.227) 11.635 4.341 ( -2.829 8.427 0.609) 8.910 6.633 ( -0.943 -1.775 -1.661) 2.608 6.734 ( 1.600 8.067 -1.793) 8.417 6.958 ( -0.210 -8.896 -1.029) 8.958 7.664 ( -1.218 -4.343 2.079) 4.966 7.958 ( -0.628 2.900 0.919) 3.106 9.200 ( 0.498 1.054 -20.652) 20.685 11.436 ( 0.011 -0.161 0.086) 0.183 11.986 ( 0.227 -1.515 -0.479) 1.605 12.325 ( 1.968 -6.014 -0.862) 6.387 12.395 ( 0.077 0.401 -0.382) 0.559 12.481 ( -1.390 6.509 -12.323) 14.006 12.940 ( -1.045 -2.616 2.491) 3.761 14.468 ( -0.476 -8.165 6.402) 10.386 14.513 ( 0.045 -3.326 5.924) 6.794 18.003 ( 8.158 -4.087 0.593) 9.144 18.107 ( -8.752 5.382 -2.887) 10.672 18.271 ( 4.835 9.673 0.447) 10.823 18.755 ( -2.502 4.982 -13.365) 14.481 26.783 ( 0.188 0.385 0.240) 0.492 26.895 ( -0.222 11.614 -1.096) 11.668 28.045 ( 0.381 0.578 -0.095) 0.699 28.881 ( 0.010 -0.022 -9.933) 9.933 29.082 ( -0.116 -2.418 4.405) 5.026 31.280 ( -0.516 34.919 -94.631) 100.869 35.428 ( -0.162 -21.368 65.762) 69.146 36.713 ( 0.011 -7.490 -0.026) 7.490 ======================= Grid point 15 (9/294) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 11.533 19.267 -3.134) 22.672 1.161 ( 14.981 27.330 4.346) 31.468 1.806 ( 20.651 39.146 4.161) 44.455 2.200 ( 2.421 1.927 -0.303) 3.109 2.507 ( 6.725 2.314 -1.076) 7.193 2.598 ( -4.986 -1.859 4.427) 6.922 3.990 ( -3.479 6.446 -0.875) 7.377 4.081 ( 9.432 1.395 -2.732) 9.919 4.404 ( 2.293 12.815 1.639) 13.121 4.495 ( 9.421 11.682 1.457) 15.078 6.648 ( 5.141 -4.367 2.109) 7.067 6.759 ( -7.540 -8.374 -0.140) 11.269 6.902 ( 3.637 9.335 -3.033) 10.467 7.596 ( -2.472 -4.266 -0.882) 5.008 7.985 ( 2.123 1.555 0.614) 2.702 9.086 ( -5.788 -5.290 -11.357) 13.801 11.440 ( 0.384 0.834 0.055) 0.919 11.953 ( -0.512 -3.776 -1.104) 3.967 12.238 ( -5.943 -4.564 0.362) 7.502 12.395 ( 0.251 -0.548 0.649) 0.885 12.525 ( 1.407 4.723 -6.397) 8.075 12.844 ( -3.545 -5.783 0.898) 6.843 14.338 ( -4.549 -7.735 3.402) 9.597 14.490 ( -1.268 -0.657 0.284) 1.456 17.944 ( -6.765 0.322 -0.323) 6.780 18.250 ( 8.559 -0.820 0.122) 8.599 18.451 ( 6.079 13.179 6.249) 15.801 18.769 ( 3.962 2.141 -10.073) 11.034 26.830 ( 0.397 3.661 -0.716) 3.751 27.087 ( 10.599 10.394 1.908) 14.967 28.074 ( 0.769 2.153 0.690) 2.388 28.847 ( -0.188 -1.693 -5.404) 5.666 29.043 ( -2.384 -3.236 3.144) 5.103 31.408 ( 7.984 17.652 -51.220) 54.761 35.361 ( -5.565 -8.477 33.914) 35.397 36.570 ( -5.802 -10.202 -0.377) 11.743 ======================= Grid point 16 (10/294) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 16.949 17.144 -6.709) 25.024 1.685 ( 14.344 20.570 2.084) 25.164 2.243 ( 1.811 0.945 1.154) 2.346 2.419 ( 5.368 16.209 0.810) 17.094 2.515 ( 3.236 3.901 3.055) 5.918 2.843 ( 22.082 14.112 2.000) 26.282 4.047 ( 2.541 6.205 -0.967) 6.774 4.244 ( 9.015 0.378 -4.145) 9.929 4.593 ( 3.056 14.526 1.610) 14.931 4.818 ( 12.639 11.679 2.327) 17.365 6.468 ( -13.268 -9.534 -0.787) 16.357 6.685 ( 2.343 -5.804 3.278) 7.065 7.103 ( 8.118 7.160 -0.132) 10.825 7.492 ( -4.228 -0.982 -1.679) 4.654 8.076 ( 6.358 0.741 -0.482) 6.419 8.827 ( -11.995 -8.452 -7.017) 16.265 11.468 ( 1.233 1.546 -0.090) 1.980 11.897 ( -0.314 -4.722 -2.353) 5.285 12.056 ( -11.117 -0.577 -0.164) 11.133 12.357 ( -5.343 -1.340 0.918) 5.584 12.514 ( -2.282 -2.205 1.587) 3.548 12.821 ( 7.822 -3.018 -3.748) 9.184 14.221 ( -3.138 -3.603 1.179) 4.922 14.455 ( -1.262 -1.911 -0.289) 2.308 17.840 ( -5.643 -0.094 -0.094) 5.644 18.287 ( -0.455 0.696 -1.241) 1.493 18.749 ( 5.681 12.781 2.110) 14.145 18.867 ( 10.551 -1.328 -0.766) 10.662 26.860 ( -2.396 6.975 -0.979) 7.440 27.443 ( 18.725 5.030 3.646) 19.729 28.110 ( -1.021 4.630 1.271) 4.909 28.808 ( -1.056 -2.363 -0.382) 2.617 28.970 ( -2.463 -2.156 -1.300) 3.522 31.554 ( 7.683 10.008 -28.642) 31.298 35.307 ( -3.513 -3.538 18.133) 18.806 36.322 ( -9.526 -11.139 -1.010) 14.692 ======================= Grid point 17 (11/294) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 19.316 13.465 -9.071) 25.233 2.033 ( 6.922 10.569 -0.098) 12.634 2.242 ( -0.450 -2.963 2.984) 4.229 2.552 ( 2.301 13.169 0.894) 13.398 2.748 ( 7.829 9.030 3.141) 12.357 3.440 ( 24.893 13.598 2.316) 28.459 4.177 ( 5.126 6.191 -1.104) 8.114 4.374 ( 7.417 -0.273 -2.783) 7.926 4.779 ( -0.912 15.028 2.534) 15.268 5.176 ( 16.055 8.333 0.731) 18.103 6.122 ( -14.198 -9.515 -1.155) 17.131 6.653 ( -0.532 -3.502 1.314) 3.778 7.161 ( -6.385 -0.325 0.521) 6.415 7.561 ( 12.494 1.277 -0.893) 12.591 8.184 ( 4.845 -0.326 -1.003) 4.959 8.485 ( -14.693 -7.858 -2.659) 16.873 11.500 ( 0.399 1.450 -0.098) 1.507 11.756 ( -10.806 -5.071 -0.736) 11.960 11.944 ( -1.558 4.176 -2.273) 5.004 12.213 ( -6.580 -3.095 0.552) 7.292 12.476 ( -0.500 -2.711 2.587) 3.781 12.969 ( 11.664 -1.741 -2.926) 12.151 14.157 ( -2.280 -0.549 0.674) 2.440 14.403 ( -1.455 -3.814 -0.344) 4.097 17.740 ( -5.252 -0.682 -0.142) 5.298 18.294 ( 2.248 -0.787 -1.293) 2.710 18.868 ( -1.947 10.094 -2.808) 10.656 19.089 ( 11.377 -0.365 4.768) 12.341 26.887 ( -2.994 8.327 -0.894) 8.894 27.811 ( 18.651 -1.095 3.121) 18.942 28.142 ( -2.271 7.250 1.641) 7.772 28.749 ( -3.144 -2.744 2.135) 4.687 28.930 ( 0.373 -0.289 -3.874) 3.902 31.686 ( 6.381 5.664 -15.371) 17.580 35.285 ( -1.288 -1.327 10.106) 10.274 36.030 ( -10.626 -10.289 -1.597) 14.876 ======================= Grid point 18 (12/294) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 17.067 8.882 -10.500) 21.919 2.175 ( 1.283 6.128 -0.840) 6.317 2.220 ( 0.063 -2.265 3.901) 4.511 2.733 ( 5.016 6.623 1.243) 8.401 2.964 ( 2.654 11.871 4.626) 13.014 3.934 ( 18.113 8.286 -0.263) 19.920 4.338 ( 7.508 5.124 -1.434) 9.202 4.487 ( 5.948 0.856 0.966) 6.086 4.847 ( -7.875 12.379 1.598) 14.758 5.448 ( 2.299 -0.878 -0.664) 2.549 5.869 ( 0.759 -3.995 -0.899) 4.165 6.639 ( 1.346 0.357 -0.698) 1.558 7.010 ( -9.332 -0.481 1.512) 9.466 7.758 ( 10.144 -8.666 -2.689) 13.609 8.149 ( -5.305 -2.288 0.756) 5.827 8.273 ( -2.456 -0.921 0.425) 2.657 11.488 ( -11.177 4.810 -0.040) 12.168 11.533 ( -1.576 -3.784 -0.547) 4.136 11.986 ( 0.188 3.663 -1.293) 3.889 12.121 ( -0.607 -0.455 -0.682) 1.020 12.439 ( -2.140 -2.173 2.141) 3.726 13.139 ( 11.166 -4.329 -1.253) 12.041 14.137 ( -0.711 1.776 0.312) 1.938 14.323 ( -2.308 -5.279 -0.326) 5.770 17.651 ( -3.583 -1.086 0.038) 3.744 18.343 ( 5.019 -1.695 -0.701) 5.344 18.896 ( -5.178 9.325 -1.419) 10.760 19.249 ( 6.892 -1.615 2.451) 7.491 26.915 ( -3.524 8.948 -0.692) 9.642 28.035 ( 8.192 -4.134 1.152) 9.248 28.221 ( 3.403 6.535 2.189) 7.686 28.670 ( -3.666 -1.393 0.687) 3.981 28.941 ( 2.190 -0.597 -2.234) 3.185 31.785 ( 4.414 2.390 -7.095) 8.691 35.305 ( 1.300 0.294 5.563) 5.720 35.753 ( -9.476 -8.180 -1.875) 12.657 ======================= Grid point 19 (13/294) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 3.022 1.416 -8.604) 9.228 2.220 ( -0.722 3.923 0.539) 4.025 2.264 ( 5.599 0.870 1.594) 5.886 2.844 ( 3.393 0.063 0.524) 3.434 3.082 ( -4.445 11.192 3.589) 12.566 4.211 ( 8.177 2.716 -2.111) 8.871 4.471 ( 2.440 -0.849 -1.051) 2.789 4.655 ( 7.545 6.962 3.058) 10.712 4.810 ( -5.748 7.823 -0.027) 9.707 5.216 ( -14.548 -5.613 -0.955) 15.623 6.053 ( 12.608 1.142 0.573) 12.672 6.701 ( 3.578 2.231 -1.883) 4.619 6.828 ( -9.693 -4.918 2.597) 11.175 7.733 ( 3.591 -6.307 -1.142) 7.347 8.118 ( -3.233 -1.382 1.075) 3.677 8.250 ( 3.550 -2.930 -0.693) 4.655 11.336 ( -8.321 5.561 -0.028) 10.008 11.544 ( 0.829 2.440 -0.741) 2.681 11.980 ( -2.599 1.965 -0.026) 3.258 12.181 ( 4.465 2.387 -0.379) 5.077 12.370 ( -3.715 -1.919 0.996) 4.298 13.230 ( 7.042 -9.794 0.055) 12.063 14.169 ( 0.440 1.741 0.085) 1.798 14.233 ( -0.906 -2.962 -0.414) 3.125 17.603 ( -0.871 -0.555 0.232) 1.059 18.420 ( 5.997 -2.248 0.105) 6.406 18.863 ( -8.263 7.917 -0.386) 11.450 19.322 ( 3.624 -2.444 0.261) 4.379 26.936 ( -4.358 9.081 -0.405) 10.081 28.071 ( 0.563 -1.725 0.660) 1.931 28.344 ( 4.529 -0.077 1.050) 4.649 28.606 ( -2.763 0.305 -0.665) 2.858 28.972 ( 2.757 -1.283 -0.468) 3.076 31.840 ( 2.297 -0.002 -2.219) 3.194 35.373 ( 3.554 1.362 2.726) 4.682 35.538 ( -6.119 -5.165 -1.651) 8.176 ======================= Grid point 20 (14/294) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 0.917 -0.702 -4.412) 4.561 2.222 ( -3.201 2.510 0.506) 4.099 2.281 ( -4.000 -3.131 0.224) 5.084 2.863 ( 0.767 -2.596 -1.707) 3.200 3.045 ( -11.920 7.942 1.619) 14.415 4.288 ( -0.800 0.772 -2.210) 2.474 4.414 ( -4.464 -4.742 -1.196) 6.622 4.674 ( -12.176 -8.897 -4.563) 15.756 4.741 ( -4.962 9.354 4.071) 11.344 5.212 ( 12.564 8.061 3.461) 15.324 6.141 ( -6.327 -4.353 1.151) 7.766 6.646 ( 2.450 -6.063 2.104) 6.869 6.797 ( 1.993 4.339 -1.161) 4.914 7.851 ( 9.162 4.498 0.441) 10.217 7.984 ( -2.833 -10.269 -0.436) 10.661 8.283 ( 1.421 -1.383 -1.447) 2.455 11.320 ( -1.657 7.135 0.211) 7.328 11.610 ( 1.733 7.680 -1.105) 7.951 11.960 ( -1.644 1.316 0.689) 2.216 12.223 ( -3.971 -0.693 1.961) 4.482 12.342 ( 3.653 1.518 -1.347) 4.179 13.181 ( 2.124 -15.517 0.930) 15.689 14.123 ( -2.028 -1.769 -0.247) 2.702 14.296 ( 4.356 2.824 -0.134) 5.193 17.615 ( 1.754 1.446 0.036) 2.274 18.498 ( 5.511 -3.052 1.141) 6.403 18.768 ( -10.170 5.317 0.467) 11.486 19.332 ( 0.585 -2.446 -1.640) 3.003 26.942 ( -5.247 8.908 -0.086) 10.338 28.036 ( -1.393 -4.530 0.549) 4.771 28.356 ( -1.524 -2.581 -0.576) 3.052 28.595 ( 0.785 1.907 -1.129) 2.351 29.000 ( 1.480 -0.960 0.624) 1.871 31.853 ( 0.366 -1.415 1.034) 1.790 35.354 ( -4.055 -2.659 -2.072) 5.273 35.550 ( 7.805 2.584 1.563) 8.369 ======================= Grid point 21 (15/294) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( -14.439 -7.356 -1.188) 16.249 2.176 ( -3.708 0.094 -0.130) 3.712 2.206 ( -0.569 -0.011 0.138) 0.586 2.803 ( -7.376 -0.143 -2.222) 7.705 2.853 ( -13.454 1.943 -0.355) 13.599 4.048 ( -21.843 -10.112 -1.036) 24.092 4.271 ( -4.272 -1.176 -3.272) 5.508 4.468 ( -2.786 -4.607 -3.719) 6.543 4.752 ( -5.220 6.895 4.382) 9.695 5.503 ( 3.597 2.466 3.227) 5.425 5.869 ( -5.119 -7.977 1.731) 9.635 6.679 ( -1.736 0.158 1.892) 2.572 6.958 ( 11.126 8.220 -1.424) 13.906 7.783 ( -3.845 -12.954 -1.161) 13.562 8.113 ( 8.622 3.224 -0.526) 9.220 8.287 ( 3.156 2.404 0.147) 3.970 11.386 ( 1.926 4.027 0.120) 4.466 11.754 ( 2.472 12.380 -0.723) 12.645 11.960 ( 0.142 1.568 1.562) 2.218 12.133 ( -3.293 -1.363 0.633) 3.620 12.443 ( 4.353 3.297 -0.905) 5.535 13.022 ( -0.558 -18.197 1.619) 18.278 14.098 ( 0.119 0.451 -0.329) 0.571 14.388 ( 3.615 0.943 0.139) 3.739 17.691 ( 3.540 4.342 -0.425) 5.618 18.549 ( 4.141 -5.792 1.851) 7.356 18.630 ( -10.743 3.985 2.024) 11.636 19.278 ( -3.055 -2.560 -3.685) 5.429 26.933 ( -5.878 8.570 0.208) 10.394 27.922 ( -3.200 -11.131 -0.523) 11.593 28.271 ( -5.496 0.088 -0.752) 5.548 28.649 ( 3.155 2.036 -1.402) 4.008 29.004 ( -0.574 -0.243 0.950) 1.137 31.835 ( -1.384 -1.850 4.291) 4.873 35.267 ( -2.474 -1.301 -3.224) 4.267 35.763 ( 11.933 3.922 1.165) 12.615 ======================= Grid point 22 (16/294) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -21.481 -7.109 -0.585) 22.635 2.038 ( -12.416 -2.293 0.856) 12.655 2.220 ( 2.430 -1.446 -0.763) 2.929 2.548 ( -17.623 5.501 0.337) 18.465 2.709 ( -6.290 -3.171 -1.829) 7.277 3.476 ( -27.821 -14.282 -2.254) 31.354 4.184 ( -5.044 1.464 -2.631) 5.875 4.350 ( -4.875 -5.016 -2.274) 7.356 4.711 ( -7.770 4.260 4.152) 9.786 5.227 ( -19.264 -9.687 1.325) 21.603 6.063 ( 16.402 5.138 2.240) 17.333 6.636 ( -0.970 -2.070 1.227) 2.594 7.248 ( 10.040 9.661 -1.505) 14.014 7.550 ( -8.833 -9.948 -2.982) 13.633 8.118 ( -2.303 -2.913 -1.339) 3.948 8.549 ( 15.146 6.834 3.449) 16.970 11.450 ( 1.639 1.755 -0.253) 2.415 11.846 ( -0.057 1.280 1.870) 2.267 12.034 ( 0.511 8.644 0.166) 8.661 12.158 ( 6.430 2.799 0.070) 7.013 12.549 ( 3.420 5.690 -1.539) 6.815 12.833 ( -0.718 -17.666 2.418) 17.845 14.129 ( 2.237 1.510 -0.454) 2.737 14.440 ( 2.379 -0.761 0.470) 2.542 17.812 ( 4.113 6.020 -0.798) 7.335 18.445 ( -7.227 -4.423 0.442) 8.485 18.584 ( -1.315 -0.415 5.943) 6.101 19.150 ( -6.643 -2.924 -5.829) 9.309 26.913 ( -5.992 7.841 0.412) 9.877 27.692 ( -7.552 -14.657 -2.271) 16.644 28.182 ( -5.710 2.022 0.499) 6.078 28.726 ( 3.966 1.476 -1.454) 4.474 28.991 ( -0.802 0.296 0.580) 1.034 31.799 ( -3.025 -1.478 7.753) 8.452 35.217 ( -1.018 -0.278 -4.686) 4.804 36.038 ( 14.271 3.980 0.709) 14.833 ======================= Grid point 23 (17/294) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -24.244 -4.297 -1.824) 24.689 1.667 ( -25.957 -3.264 0.244) 26.163 2.228 ( -0.615 -1.326 0.683) 1.613 2.396 ( -11.919 3.751 3.363) 12.940 2.500 ( -12.536 -2.803 -3.199) 13.238 2.854 ( -22.468 -10.265 -2.611) 24.840 4.096 ( -5.090 -1.910 1.670) 5.687 4.199 ( -6.918 -0.751 -3.169) 7.646 4.589 ( -10.930 1.367 3.549) 11.573 4.815 ( -18.102 -5.750 -1.052) 19.022 6.404 ( 14.197 6.060 2.392) 15.620 6.639 ( 4.127 -2.810 0.797) 5.056 7.220 ( -12.350 -8.704 -2.693) 15.347 7.502 ( 5.181 7.939 -3.140) 9.986 8.040 ( -2.872 -1.829 -1.100) 3.578 8.885 ( 14.939 3.758 4.128) 15.948 11.462 ( -1.220 0.353 -0.066) 1.272 11.881 ( 3.343 0.622 1.034) 3.554 12.129 ( 4.537 2.201 0.224) 5.047 12.314 ( 4.227 4.385 1.406) 6.251 12.649 ( -3.143 1.501 -2.112) 4.073 12.707 ( 7.560 -6.310 1.803) 10.011 14.203 ( 4.797 1.612 -0.516) 5.087 14.467 ( 1.699 -0.905 0.584) 2.012 17.926 ( 3.730 1.971 -0.890) 4.312 18.290 ( -6.888 -0.277 0.624) 6.921 18.542 ( -5.377 -2.048 7.869) 9.748 18.971 ( -7.208 -2.546 -7.056) 10.404 26.884 ( -5.278 5.600 0.378) 7.705 27.373 ( -12.640 -10.581 -2.281) 16.641 28.115 ( -3.947 0.681 1.006) 4.129 28.804 ( 4.039 0.704 -0.388) 4.118 28.996 ( 0.995 0.509 -0.519) 1.233 31.752 ( -4.218 -0.672 9.091) 10.044 35.189 ( -0.323 0.082 -5.637) 5.647 36.327 ( 14.345 2.705 0.296) 14.601 ======================= Grid point 24 (18/294) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( -23.854 -0.937 -2.328) 23.985 1.142 ( -31.678 1.544 -0.436) 31.719 1.783 ( -45.379 -0.547 0.515) 45.385 2.196 ( -2.216 -0.010 1.154) 2.499 2.503 ( 4.444 0.937 -0.050) 4.542 2.583 ( -7.037 -1.130 -0.035) 7.127 3.984 ( -3.111 -5.313 1.931) 6.452 4.102 ( -7.209 6.800 -1.218) 9.984 4.388 ( -12.573 -1.527 1.726) 12.782 4.499 ( -13.787 0.224 -2.313) 13.982 6.622 ( 2.256 5.386 3.036) 6.582 6.756 ( 10.808 -3.384 0.835) 11.356 6.931 ( -9.723 -2.958 -2.685) 10.512 7.612 ( 4.075 -0.354 -2.291) 4.689 7.986 ( -2.873 1.667 -0.752) 3.406 9.141 ( 10.874 -0.247 0.673) 10.897 11.440 ( -0.936 0.052 0.016) 0.938 11.957 ( 2.957 1.201 0.249) 3.201 12.232 ( 7.155 -2.743 0.959) 7.723 12.387 ( 0.802 1.534 1.206) 2.110 12.562 ( -1.666 -3.360 -0.642) 3.805 12.849 ( 5.498 3.477 -2.145) 6.850 14.322 ( 7.471 0.311 -0.399) 7.489 14.487 ( 1.068 -0.207 0.198) 1.106 17.948 ( 2.958 -6.760 -0.387) 7.389 18.247 ( -4.556 10.302 0.620) 11.281 18.386 ( -11.898 -3.265 6.738) 14.058 18.842 ( -3.202 -0.666 -4.627) 5.666 26.836 ( -3.430 -0.741 -0.326) 3.524 27.075 ( -14.231 1.209 0.371) 14.287 28.067 ( -1.887 -0.523 0.703) 2.081 28.875 ( 3.511 -0.004 0.197) 3.516 29.028 ( 2.439 -0.009 -0.654) 2.525 31.694 ( -4.197 0.077 -0.706) 4.257 35.171 ( -0.272 0.004 -0.297) 0.403 36.572 ( 11.629 0.001 0.051) 11.629 ======================= Grid point 26 (19/294) ======================= q-point: ( 0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -13.168 18.473 1.102) 22.713 1.171 ( -12.542 28.692 5.441) 31.782 1.796 ( -21.676 39.071 2.940) 44.777 2.176 ( -2.247 1.504 -2.856) 3.933 2.522 ( -4.085 -1.480 2.807) 5.172 2.586 ( 1.819 2.146 1.438) 3.160 3.958 ( -5.084 0.237 -3.260) 6.044 4.103 ( 0.925 9.559 -0.982) 9.653 4.372 ( -5.677 11.901 -1.439) 13.264 4.536 ( -7.341 10.532 4.894) 13.739 6.593 ( 4.682 -0.799 -2.827) 5.527 6.744 ( 2.035 -11.257 -1.596) 11.550 6.951 ( -8.642 6.615 1.456) 10.981 7.639 ( 1.165 -4.359 3.244) 5.557 7.999 ( 0.304 4.120 1.971) 4.577 9.071 ( 5.545 -5.691 -13.080) 15.304 11.440 ( -0.316 0.923 0.020) 0.976 11.949 ( 2.400 -2.077 -1.370) 3.457 12.220 ( 0.806 -7.825 -1.312) 7.975 12.370 ( 2.769 1.310 -2.322) 3.844 12.546 ( -4.750 0.039 -2.993) 5.615 12.876 ( 7.174 -1.121 2.773) 7.773 14.346 ( 5.327 -7.650 4.258) 10.248 14.486 ( 0.938 -0.958 -0.097) 1.344 17.952 ( -5.158 -6.203 0.335) 8.075 18.236 ( 8.611 12.880 -1.818) 15.600 18.326 ( -9.913 3.545 -5.199) 11.741 18.859 ( -5.926 3.966 -0.871) 7.184 26.836 ( -1.663 3.084 -0.190) 3.508 27.080 ( -8.547 11.512 1.279) 14.395 28.060 ( -1.350 1.053 -0.569) 1.804 28.846 ( 0.308 -1.815 -5.159) 5.478 29.053 ( 1.931 -2.585 3.829) 5.007 31.420 ( -7.888 17.765 -50.137) 53.773 35.367 ( 5.501 -8.347 34.379) 35.803 36.569 ( 5.840 -10.265 -0.481) 11.820 ======================= Grid point 27 (20/294) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -1.580 22.087 -3.457) 22.412 1.365 ( -1.480 29.777 7.182) 30.667 2.084 ( 0.695 43.037 5.690) 43.417 2.172 ( 1.345 2.500 -4.023) 4.924 2.464 ( -0.429 -3.758 5.171) 6.407 2.641 ( 0.344 6.038 -3.035) 6.767 3.956 ( 4.169 1.815 -3.358) 5.652 4.164 ( -5.201 6.988 -1.914) 8.919 4.467 ( 2.126 13.235 3.007) 13.738 4.599 ( -1.173 16.319 2.424) 16.540 6.550 ( -1.890 -7.128 -1.394) 7.505 6.733 ( 3.159 -8.574 -2.245) 9.409 6.956 ( 1.405 13.803 -2.426) 14.085 7.539 ( -1.974 -8.893 1.152) 9.182 8.052 ( -2.881 5.275 1.722) 6.253 9.025 ( 1.088 -8.735 -9.387) 12.869 11.448 ( -0.118 1.258 0.199) 1.279 11.930 ( -1.651 -2.735 -1.997) 3.767 12.155 ( 4.241 -9.726 -1.296) 10.689 12.384 ( -0.844 -2.848 1.273) 3.232 12.514 ( 2.565 0.981 -3.037) 4.095 12.932 ( -4.705 1.731 2.230) 5.486 14.306 ( -0.756 -9.340 3.179) 9.895 14.498 ( 0.473 -1.054 0.711) 1.357 17.910 ( 6.576 -5.406 0.627) 8.535 18.205 ( -4.859 6.162 -2.912) 8.370 18.533 ( 5.909 14.795 1.003) 15.963 18.770 ( -5.092 2.873 -6.663) 8.865 26.796 ( 0.360 0.742 0.244) 0.860 27.205 ( -1.096 18.904 -0.673) 18.947 28.060 ( 1.640 0.863 -0.016) 1.853 28.810 ( 0.006 -2.088 -4.783) 5.219 29.045 ( -0.602 -3.414 2.955) 4.555 31.399 ( -0.684 21.104 -43.776) 48.602 35.422 ( -0.296 -10.425 31.036) 32.741 36.499 ( 0.070 -13.112 -0.929) 13.145 ======================= Grid point 28 (21/294) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 7.703 20.728 -8.865) 23.824 1.738 ( 7.439 24.648 6.302) 26.506 2.235 ( 2.223 2.520 -0.485) 3.396 2.460 ( 5.431 2.742 0.487) 6.104 2.513 ( 4.295 12.061 6.035) 14.154 2.805 ( 4.973 27.243 -1.747) 27.748 4.068 ( 7.490 0.913 -5.853) 9.549 4.135 ( -3.217 7.161 -0.664) 7.879 4.659 ( 5.355 9.870 2.882) 11.593 4.837 ( 4.319 20.495 2.829) 21.135 6.441 ( -0.086 -15.858 0.923) 15.885 6.642 ( -2.859 -1.574 -0.325) 3.280 7.160 ( 1.618 15.752 -2.947) 16.107 7.448 ( 2.442 -9.539 -1.922) 10.032 8.043 ( -1.926 3.441 1.253) 4.138 8.862 ( -5.133 -11.476 -5.852) 13.867 11.462 ( 0.552 0.588 0.005) 0.806 11.863 ( -1.230 -2.313 -2.652) 3.728 12.127 ( 1.032 -6.399 -0.282) 6.488 12.338 ( 1.423 -6.429 0.822) 6.636 12.592 ( 4.816 1.652 -1.946) 5.450 12.768 ( -14.498 0.574 2.630) 14.745 14.209 ( -1.157 -5.982 1.026) 6.178 14.474 ( -1.970 -1.076 0.074) 2.246 17.916 ( -1.237 -3.964 -0.147) 4.155 18.289 ( 3.287 5.541 -0.615) 6.472 18.677 ( 2.882 2.276 2.647) 4.527 18.818 ( 4.647 11.268 -5.118) 13.219 26.886 ( 6.638 2.198 -0.195) 6.995 27.357 ( -0.038 14.838 0.787) 14.859 28.139 ( 3.672 3.550 1.313) 5.274 28.779 ( 0.498 -2.780 -1.980) 3.449 28.991 ( -2.397 -2.443 -0.068) 3.423 31.492 ( 3.050 15.575 -29.809) 33.771 35.384 ( -3.166 -6.488 20.943) 22.153 36.315 ( -4.648 -14.100 -1.584) 14.931 ======================= Grid point 29 (22/294) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 12.530 16.047 -12.007) 23.636 2.058 ( 4.966 13.040 3.114) 14.297 2.243 ( -1.136 -1.807 3.262) 3.899 2.632 ( 1.946 8.624 0.784) 8.875 2.727 ( 11.943 12.995 1.806) 17.742 3.267 ( 13.660 25.101 1.893) 28.639 4.154 ( 3.304 4.109 -7.881) 9.482 4.235 ( 7.088 2.470 0.964) 7.567 4.889 ( 8.088 10.770 3.410) 13.894 5.112 ( 3.356 17.008 2.206) 17.475 6.200 ( -8.242 -15.905 0.973) 17.940 6.624 ( 0.281 -0.457 -0.268) 0.600 7.280 ( -0.788 8.817 -0.630) 8.875 7.389 ( 1.438 -7.789 -3.658) 8.725 8.099 ( 4.155 2.026 0.991) 4.728 8.598 ( -9.537 -11.515 -2.688) 15.192 11.476 ( 1.479 -1.104 -0.440) 1.897 11.836 ( -1.144 1.799 -2.008) 2.929 12.063 ( -4.147 0.508 -0.411) 4.198 12.285 ( -2.000 -7.034 0.412) 7.324 12.522 ( -11.318 2.060 1.883) 11.657 12.713 ( 9.904 -5.304 -0.651) 11.254 14.162 ( 0.153 -2.640 0.251) 2.657 14.414 ( -3.138 -1.972 -0.228) 3.713 17.826 ( -4.833 -2.653 -0.543) 5.540 18.320 ( -3.158 4.380 -0.334) 5.410 18.828 ( 11.675 -1.146 -2.844) 12.071 18.999 ( 3.315 9.939 2.875) 10.865 27.017 ( 1.770 8.220 -0.819) 8.448 27.539 ( 9.769 4.202 1.637) 10.759 28.232 ( 0.695 5.261 2.099) 5.707 28.752 ( -0.157 -3.583 1.411) 3.854 28.933 ( -1.843 0.268 -3.358) 3.840 31.609 ( 4.389 9.645 -17.802) 20.717 35.336 ( -2.617 -3.286 12.824) 13.495 36.064 ( -7.280 -13.059 -2.134) 15.103 ======================= Grid point 30 (23/294) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 15.629 10.611 -12.507) 22.656 2.214 ( 0.168 0.797 4.399) 4.474 2.227 ( 1.069 5.869 -0.421) 5.981 2.730 ( 2.205 3.774 2.480) 5.026 3.089 ( 5.983 20.545 3.977) 21.764 3.742 ( 15.827 16.281 -0.177) 22.707 4.239 ( 6.076 2.196 -7.447) 9.859 4.392 ( 7.229 1.991 2.626) 7.945 5.128 ( -2.041 16.478 3.883) 17.052 5.310 ( 8.719 5.150 0.378) 10.133 5.885 ( -9.718 -13.520 0.437) 16.656 6.630 ( 0.409 2.078 -1.538) 2.617 7.205 ( -11.252 1.751 0.182) 11.389 7.434 ( 12.399 -9.937 -3.954) 16.374 8.172 ( 1.062 -0.037 1.579) 1.903 8.329 ( -7.631 -8.643 0.284) 11.534 11.494 ( 1.911 -0.384 -0.789) 2.103 11.792 ( -10.870 7.507 0.057) 13.211 12.026 ( -1.785 4.973 -1.542) 5.504 12.149 ( -4.357 -3.270 -0.091) 5.448 12.440 ( -0.781 -2.562 1.875) 3.269 12.836 ( 12.558 -9.624 -0.382) 15.826 14.153 ( 0.467 -0.284 0.012) 0.547 14.327 ( -3.666 -3.052 -0.322) 4.780 17.703 ( -4.765 -3.946 -0.342) 6.196 18.325 ( -1.081 5.084 -0.122) 5.199 18.986 ( 5.960 2.862 -3.128) 7.314 19.131 ( 3.245 2.498 3.502) 5.388 27.104 ( -3.576 13.192 -0.902) 13.698 27.772 ( 14.532 -2.554 1.300) 14.812 28.279 ( -1.076 3.836 1.802) 4.373 28.707 ( -1.812 -2.319 1.383) 3.252 28.912 ( -0.204 0.385 -2.845) 2.878 31.713 ( 4.179 4.621 -9.096) 11.025 35.317 ( -0.673 -1.135 7.323) 7.441 35.804 ( -7.722 -10.514 -2.268) 13.240 ======================= Grid point 31 (24/294) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 12.753 5.964 -12.774) 19.010 2.210 ( 0.510 -1.389 3.918) 4.189 2.311 ( -0.964 7.462 0.127) 7.525 2.796 ( 2.403 -0.896 2.766) 3.772 3.327 ( -3.517 19.245 4.235) 20.017 4.092 ( 9.525 8.425 -4.272) 13.414 4.385 ( 8.740 2.799 -2.350) 9.473 4.535 ( 8.125 0.236 2.772) 8.589 5.119 ( -14.034 13.439 0.321) 19.434 5.390 ( -9.162 -3.903 0.936) 10.002 5.791 ( 14.931 -2.670 1.237) 15.218 6.651 ( 0.402 -2.927 -2.162) 3.661 7.008 ( -11.554 1.132 1.052) 11.657 7.523 ( 10.670 -8.137 -2.446) 13.640 8.154 ( -3.791 -7.550 2.208) 8.732 8.174 ( 0.215 -2.241 -0.191) 2.260 11.540 ( 1.440 4.782 -1.055) 5.104 11.640 ( -14.500 9.920 0.278) 17.571 12.047 ( -2.003 2.447 -0.285) 3.175 12.131 ( 3.527 2.093 -0.323) 4.113 12.402 ( -1.714 -2.765 1.060) 3.421 12.928 ( 11.624 -15.402 0.217) 19.297 14.177 ( 1.687 1.563 -0.138) 2.304 14.230 ( -3.547 -3.137 -0.353) 4.749 17.599 ( -1.677 -4.578 0.150) 4.878 18.379 ( 0.776 5.516 0.202) 5.574 19.050 ( -3.846 6.400 -0.887) 7.519 19.202 ( 5.698 -3.772 0.694) 6.868 27.157 ( -6.251 14.990 -0.662) 16.255 27.966 ( 9.692 -3.368 0.811) 10.292 28.293 ( 0.477 -0.251 1.114) 1.238 28.660 ( -2.661 0.383 -0.212) 2.697 28.908 ( 1.632 -1.945 -0.882) 2.688 31.784 ( 3.088 0.996 -3.723) 4.939 35.342 ( 2.021 0.395 3.832) 4.350 35.582 ( -6.448 -7.302 -1.949) 9.935 ======================= Grid point 32 (25/294) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 1.407 0.534 -9.459) 9.578 2.256 ( 3.035 -0.984 1.577) 3.559 2.341 ( -3.672 6.496 0.362) 7.471 2.811 ( 1.513 -3.743 1.185) 4.207 3.379 ( -11.418 14.831 2.859) 18.934 4.247 ( 4.604 3.461 -4.303) 7.190 4.442 ( -1.863 -1.851 0.159) 2.631 4.702 ( 2.823 -5.441 -0.855) 6.189 4.992 ( -10.406 12.138 0.814) 16.009 5.201 ( -4.685 3.508 2.471) 6.353 6.098 ( 11.733 2.224 1.368) 12.020 6.482 ( -1.159 -18.482 -0.433) 18.523 6.922 ( -6.228 10.410 0.513) 12.142 7.686 ( 12.872 1.468 -0.523) 12.966 7.942 ( -5.883 -15.604 1.353) 16.731 8.211 ( 3.399 -0.747 -1.693) 3.870 11.514 ( -10.508 9.601 0.368) 14.238 11.654 ( 2.938 10.369 -1.490) 10.880 12.026 ( -2.928 2.433 0.341) 3.822 12.241 ( 4.404 2.841 1.519) 5.457 12.329 ( -3.142 -2.339 -0.573) 3.959 12.914 ( 7.304 -20.443 0.580) 21.716 14.149 ( -2.760 -1.194 -0.190) 3.013 14.243 ( 3.838 1.347 -0.214) 4.073 17.567 ( 2.581 -3.213 0.208) 4.127 18.450 ( 1.030 4.439 0.652) 4.603 18.983 ( -8.644 3.498 0.293) 9.330 19.258 ( 4.202 -2.903 -1.006) 5.205 27.184 ( -7.913 15.119 -0.304) 17.067 28.014 ( -0.129 -4.845 0.727) 4.901 28.306 ( 2.814 -3.538 0.131) 4.523 28.626 ( -2.134 2.188 -1.175) 3.275 28.933 ( 3.820 -2.616 0.326) 4.641 31.819 ( 1.859 -0.918 -0.750) 2.205 35.384 ( -2.041 -1.874 -0.466) 2.810 35.463 ( 2.950 -0.960 0.774) 3.198 ======================= Grid point 33 (26/294) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( -2.630 -2.926 -8.269) 9.158 2.227 ( -4.551 -1.565 2.790) 5.563 2.316 ( -5.579 4.165 0.436) 6.976 2.791 ( 0.425 -3.475 -1.001) 3.642 3.251 ( -18.197 10.174 1.435) 20.898 4.285 ( -12.054 -3.819 -1.805) 12.772 4.311 ( -3.606 -1.624 -0.026) 3.954 4.476 ( -6.009 -6.125 -4.540) 9.708 4.991 ( -9.272 13.143 2.853) 16.336 5.391 ( 13.290 6.788 3.462) 15.320 5.923 ( -12.513 -17.075 0.815) 21.185 6.617 ( 14.192 1.773 1.132) 14.347 6.940 ( -2.167 10.385 -0.040) 10.608 7.685 ( -3.640 -17.364 0.390) 17.746 7.963 ( 13.475 5.323 0.047) 14.488 8.241 ( 2.327 -1.732 -2.172) 3.624 11.460 ( -4.753 5.669 0.195) 7.400 11.837 ( 3.145 14.107 -1.326) 14.515 11.999 ( -2.399 1.888 1.147) 3.261 12.207 ( -5.595 -1.286 0.308) 5.749 12.382 ( 5.737 2.101 0.395) 6.123 12.797 ( 3.737 -20.462 0.456) 20.806 14.113 ( -1.063 0.787 -0.051) 1.323 14.320 ( 4.161 -0.527 0.012) 4.194 17.625 ( 6.033 -0.449 -0.364) 6.061 18.490 ( -0.185 0.149 1.078) 1.104 18.854 ( -9.446 3.507 1.366) 10.168 19.268 ( 0.235 -2.478 -2.032) 3.213 27.183 ( -9.024 13.939 0.051) 16.605 27.888 ( -4.879 -10.014 0.147) 11.140 28.307 ( 0.106 -1.802 -0.067) 1.806 28.632 ( 0.618 2.225 -1.042) 2.534 28.975 ( 2.975 -1.738 0.202) 3.451 31.831 ( 0.794 -1.229 1.060) 1.807 35.295 ( -3.328 -1.769 -1.565) 4.081 35.603 ( 9.787 1.698 1.032) 9.987 ======================= Grid point 34 (27/294) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -14.181 -3.814 -4.187) 15.271 2.160 ( -2.927 -0.708 0.794) 3.114 2.239 ( -5.933 1.608 0.270) 6.152 2.746 ( -2.067 -2.064 -1.870) 3.469 2.980 ( -22.161 6.362 1.601) 23.112 3.811 ( -25.415 -10.110 -0.873) 27.366 4.276 ( -4.164 2.095 -0.844) 4.736 4.383 ( -2.954 -1.285 -4.138) 5.244 4.951 ( -10.343 10.307 2.707) 14.851 5.424 ( -13.828 -11.274 2.776) 18.056 5.825 ( 15.759 2.073 1.706) 15.986 6.680 ( -4.173 -1.082 1.043) 4.436 7.172 ( 10.949 12.838 -0.442) 16.879 7.486 ( -1.264 -14.748 -0.386) 14.808 8.145 ( 0.266 1.964 -1.965) 2.791 8.340 ( 13.164 1.236 0.329) 13.226 11.461 ( -0.454 3.264 -0.303) 3.310 11.891 ( -3.534 -0.579 1.540) 3.898 12.097 ( 4.166 3.309 0.136) 5.322 12.121 ( -1.854 5.842 -0.584) 6.157 12.484 ( 5.549 -4.674 1.037) 7.329 12.690 ( 1.593 -5.686 -0.938) 5.979 14.122 ( 0.441 1.684 0.043) 1.741 14.373 ( 3.594 -2.188 0.297) 4.218 17.747 ( 7.029 1.092 -1.099) 7.197 18.432 ( -2.720 -6.670 0.706) 7.238 18.771 ( -7.703 8.532 4.009) 12.174 19.197 ( -4.109 -3.361 -3.307) 6.254 27.143 ( -9.377 9.243 0.166) 13.168 27.684 ( -6.365 -8.801 -0.562) 10.876 28.270 ( -3.073 -0.775 0.894) 3.293 28.677 ( 2.630 1.195 -0.572) 2.945 28.992 ( 0.643 -0.959 -0.785) 1.396 31.831 ( -0.351 -0.525 1.856) 1.961 35.232 ( -2.139 -0.519 -1.554) 2.694 35.824 ( 13.182 1.466 0.566) 13.276 ======================= Grid point 35 (28/294) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -21.294 -0.128 -2.865) 21.487 2.018 ( -14.365 0.288 -0.063) 14.368 2.209 ( 1.104 0.047 0.474) 1.202 2.632 ( -11.439 -1.187 -0.598) 11.516 2.689 ( -12.571 1.875 1.429) 12.790 3.257 ( -29.368 -2.170 -0.990) 29.464 4.181 ( -7.185 -2.403 2.669) 8.033 4.315 ( -4.118 4.389 -5.331) 8.040 4.829 ( -13.048 3.196 1.769) 13.549 5.072 ( -16.086 -4.182 1.493) 16.688 6.168 ( 18.113 2.465 2.017) 18.391 6.611 ( -1.457 -0.679 1.570) 2.247 7.298 ( -6.378 -6.469 -1.087) 9.149 7.436 ( 6.773 3.218 -0.708) 7.532 8.118 ( -3.959 4.166 -2.837) 6.409 8.619 ( 17.071 -1.510 0.796) 17.156 11.487 ( -0.318 1.806 -0.580) 1.924 11.844 ( 1.066 -1.977 1.255) 2.573 12.070 ( 0.580 -3.460 -0.194) 3.513 12.273 ( 6.053 1.408 0.777) 6.263 12.477 ( 4.279 -10.136 2.041) 11.190 12.762 ( 0.537 13.250 -3.749) 13.781 14.157 ( 1.991 0.886 0.194) 2.188 14.412 ( 3.259 -1.529 0.332) 3.615 17.844 ( 4.340 -2.787 -1.247) 5.307 18.322 ( -1.670 -4.498 0.130) 4.800 18.759 ( -7.939 10.852 7.381) 15.338 19.041 ( -7.123 -4.505 -4.882) 9.740 27.031 ( -7.935 -1.290 -0.436) 8.051 27.519 ( -9.212 3.465 0.252) 9.846 28.191 ( -4.651 -2.106 1.779) 5.407 28.738 ( 3.686 0.111 0.205) 3.693 28.984 ( 0.147 -0.450 -1.814) 1.875 31.814 ( -1.988 0.303 -0.352) 2.041 35.196 ( -1.309 0.008 -0.411) 1.372 36.082 ( 14.943 0.014 0.210) 14.945 ======================= Grid point 36 (29/294) ======================= q-point: (-0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -24.378 4.661 -2.391) 24.934 1.679 ( -25.376 3.923 -1.044) 25.699 2.234 ( -0.466 1.023 1.059) 1.544 2.420 ( -14.810 -4.193 -1.312) 15.448 2.486 ( -10.227 2.912 2.615) 10.950 2.829 ( -21.533 9.731 1.143) 23.657 4.040 ( -6.098 -1.392 2.194) 6.628 4.280 ( -5.559 6.519 -2.765) 9.003 4.588 ( -13.110 -2.779 -0.718) 13.421 4.801 ( -16.849 5.224 1.004) 17.669 6.470 ( 15.596 -5.609 0.352) 16.578 6.648 ( 2.935 4.604 4.113) 6.836 7.107 ( -10.330 1.201 -0.558) 10.415 7.504 ( 3.114 -4.350 -0.900) 5.424 8.088 ( -4.527 5.327 -1.976) 7.264 8.876 ( 15.731 -4.903 -2.674) 16.693 11.470 ( -2.038 0.311 -0.207) 2.072 11.912 ( 4.392 2.078 -0.596) 4.895 12.055 ( 5.860 -8.639 0.437) 10.449 12.351 ( 4.123 -3.475 0.428) 5.409 12.494 ( 3.896 -1.899 2.314) 4.914 12.868 ( -1.351 9.500 -5.511) 11.066 14.212 ( 4.390 -1.066 0.479) 4.543 14.457 ( 2.381 0.161 -0.122) 2.390 17.841 ( 2.547 -5.331 -0.251) 5.914 18.297 ( -0.230 -0.171 -0.732) 0.786 18.704 ( -13.815 6.844 6.532) 16.744 18.887 ( -3.760 0.380 -2.672) 4.629 26.869 ( -4.932 -5.692 -0.894) 7.584 27.412 ( -14.175 12.484 2.696) 19.080 28.097 ( -2.997 -2.776 1.319) 4.293 28.805 ( 3.998 -0.744 0.837) 4.152 28.986 ( 1.452 -0.404 -1.892) 2.420 31.752 ( -4.405 0.994 -10.049) 11.017 35.187 ( -0.296 -0.000 4.986) 4.995 36.327 ( 14.307 -2.721 -0.067) 14.563 ======================= Grid point 38 (30/294) ======================= q-point: ( 0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -15.577 18.320 -3.006) 24.234 1.684 ( -13.933 21.559 3.699) 25.934 2.222 ( -3.075 0.409 -0.600) 3.159 2.373 ( -3.443 12.292 -1.603) 12.865 2.537 ( -6.170 7.127 3.952) 10.222 2.881 ( -21.797 15.111 3.062) 26.699 4.076 ( -6.772 2.626 -2.374) 7.641 4.211 ( -3.900 6.835 -0.823) 7.912 4.560 ( -3.022 11.163 -2.221) 11.776 4.837 ( -12.798 11.638 3.554) 17.659 6.383 ( 11.919 -9.615 -1.916) 15.433 6.627 ( -0.884 -5.779 -1.533) 6.044 7.241 ( -13.833 5.211 1.622) 14.871 7.531 ( 8.785 -1.165 2.933) 9.334 8.056 ( -2.101 2.834 2.135) 4.123 8.820 ( 10.266 -8.725 -8.932) 16.164 11.463 ( -0.330 1.452 0.096) 1.492 11.863 ( 2.494 -2.915 -2.470) 4.562 12.125 ( 3.861 -2.748 -0.735) 4.796 12.302 ( 5.377 -1.182 -1.021) 5.599 12.646 ( -9.854 -3.181 -1.886) 10.525 12.716 ( 9.296 -1.595 2.696) 9.809 14.212 ( 4.072 -3.847 1.216) 5.733 14.461 ( 0.161 -1.867 -0.619) 1.973 17.936 ( 3.597 -2.150 1.081) 4.327 18.280 ( -3.016 7.390 -1.558) 8.133 18.472 ( -5.992 1.317 -6.256) 8.762 19.027 ( -7.007 4.969 4.256) 9.587 26.880 ( 2.318 7.479 -0.488) 7.845 27.400 ( -16.414 4.560 3.053) 17.307 28.107 ( -1.595 3.454 -0.515) 3.839 28.802 ( 1.141 -2.631 -0.625) 2.935 29.002 ( 2.332 -0.646 0.667) 2.510 31.562 ( -6.981 10.071 -27.962) 30.529 35.314 ( 3.689 -3.284 18.668) 19.310 36.319 ( 9.524 -11.295 -1.240) 14.827 ======================= Grid point 39 (31/294) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -10.400 20.281 -5.782) 23.514 1.763 ( -7.505 24.400 7.408) 26.581 2.192 ( -1.661 2.954 -3.495) 4.868 2.436 ( -2.017 2.342 -0.467) 3.126 2.531 ( -5.794 15.371 6.483) 17.660 2.811 ( -6.999 24.065 -0.008) 25.062 3.973 ( -4.342 3.314 -3.673) 6.582 4.269 ( -0.686 7.609 -3.517) 8.410 4.644 ( -4.063 13.204 3.816) 14.332 4.813 ( -4.132 15.050 2.211) 15.762 6.445 ( 4.540 -15.951 -1.860) 16.689 6.578 ( 4.044 1.056 -2.611) 4.928 7.117 ( -6.766 8.296 0.177) 10.707 7.511 ( -2.804 -8.073 -0.036) 8.546 8.144 ( 0.926 7.217 3.352) 8.011 8.827 ( 5.746 -12.148 -7.301) 15.294 11.475 ( -0.794 2.174 0.235) 2.326 11.885 ( 4.275 -3.407 -2.826) 6.154 12.038 ( -4.416 -8.204 -1.239) 9.399 12.352 ( 0.694 -4.833 0.641) 4.925 12.464 ( -0.028 -3.733 -0.341) 3.749 12.955 ( 7.978 6.348 2.284) 10.448 14.222 ( 1.608 -5.985 1.351) 6.343 14.456 ( 2.068 -1.985 -0.238) 2.876 17.848 ( -4.140 -4.624 0.318) 6.215 18.292 ( -1.276 0.143 -1.490) 1.966 18.570 ( 6.167 17.240 -5.465) 19.108 18.931 ( -9.457 2.853 1.491) 9.989 26.879 ( -7.266 1.532 0.013) 7.426 27.392 ( 1.479 17.824 0.852) 17.905 28.077 ( -3.197 0.992 -0.592) 3.399 28.776 ( -0.160 -2.932 -1.927) 3.512 29.021 ( 0.739 -1.973 1.433) 2.548 31.507 ( -3.328 15.356 -29.331) 33.275 35.393 ( 2.806 -6.485 21.423) 22.558 36.311 ( 4.821 -14.176 -1.814) 15.083 ======================= Grid point 40 (32/294) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -1.799 20.632 -10.445) 23.195 1.943 ( -0.965 20.325 6.988) 21.514 2.230 ( 2.185 8.390 -4.319) 9.686 2.368 ( -0.116 -5.940 3.941) 7.129 2.640 ( -1.093 10.252 2.206) 10.544 3.091 ( 0.901 35.703 1.194) 35.735 3.977 ( 1.987 3.067 -3.447) 5.024 4.277 ( -4.459 5.980 -4.040) 8.484 4.697 ( -0.460 6.968 3.742) 7.923 5.023 ( 2.310 23.253 2.391) 23.489 6.288 ( -0.455 -15.891 -1.306) 15.951 6.653 ( 1.327 -0.001 -0.005) 1.327 7.205 ( 6.602 5.248 -1.309) 8.535 7.377 ( -4.832 -0.492 -1.831) 5.190 8.170 ( -5.339 4.810 1.640) 7.370 8.736 ( 1.814 -15.224 -4.423) 15.957 11.469 ( -1.328 -0.072 0.059) 1.332 11.884 ( -3.451 -0.140 -2.305) 4.152 11.934 ( 7.667 -10.482 -1.716) 13.099 12.266 ( -1.085 -8.573 0.864) 8.685 12.504 ( 4.048 -0.982 1.198) 4.335 13.047 ( -6.860 7.619 1.393) 10.347 14.167 ( -0.637 -5.497 0.704) 5.578 14.471 ( 1.111 -1.988 -0.097) 2.279 17.801 ( 3.780 -5.667 0.562) 6.835 18.317 ( 1.905 6.538 -2.339) 7.200 18.777 ( -8.811 0.870 -2.687) 9.253 18.836 ( 5.449 13.935 0.636) 14.976 26.815 ( 0.459 0.955 0.008) 1.060 27.603 ( -3.535 19.575 0.723) 19.905 28.081 ( 4.373 1.278 0.403) 4.573 28.735 ( 0.048 -3.497 -1.377) 3.759 29.000 ( -1.104 -1.520 -0.201) 1.889 31.545 ( -0.567 14.890 -23.768) 28.053 35.411 ( -0.367 -6.533 18.179) 19.321 36.197 ( 0.157 -15.278 -2.422) 15.470 ======================= Grid point 41 (33/294) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 4.425 16.225 -13.990) 21.876 2.117 ( 2.573 8.206 2.500) 8.956 2.272 ( -2.614 -0.173 3.957) 4.745 2.566 ( 16.952 13.887 0.569) 21.922 2.715 ( -0.830 7.204 1.664) 7.440 3.468 ( 1.759 32.111 1.630) 32.200 4.064 ( 5.215 3.040 -3.466) 6.961 4.250 ( -2.390 4.785 -2.782) 6.029 4.821 ( 7.024 4.628 1.825) 8.607 5.307 ( 1.303 23.148 2.712) 23.343 6.112 ( -1.731 -16.464 0.450) 16.561 6.652 ( -1.536 2.544 -0.304) 2.987 7.194 ( 1.769 -13.440 -1.378) 13.625 7.461 ( -0.594 14.461 -2.074) 14.621 8.123 ( -3.218 3.263 1.370) 4.783 8.558 ( -2.810 -15.664 -2.559) 16.118 11.439 ( 0.223 -2.576 -0.454) 2.625 11.862 ( 0.369 2.441 -1.379) 2.828 11.985 ( 8.413 -6.939 -1.864) 11.064 12.168 ( -0.321 -8.356 0.379) 8.371 12.559 ( 3.885 -3.410 1.863) 5.495 12.901 ( -18.351 8.878 1.166) 20.419 14.122 ( 0.549 -2.954 0.136) 3.008 14.443 ( -1.806 -2.138 -0.327) 2.818 17.804 ( 1.952 -6.411 0.274) 6.707 18.437 ( -0.020 8.732 -0.840) 8.772 18.667 ( 0.977 -0.920 -3.082) 3.361 19.044 ( 3.867 9.781 1.882) 10.684 26.920 ( 9.668 1.300 -0.027) 9.755 27.655 ( -7.597 13.759 0.298) 15.720 28.225 ( 5.891 3.792 1.962) 7.276 28.704 ( 0.995 -4.176 0.282) 4.302 28.963 ( -1.862 0.664 -2.286) 3.022 31.617 ( 0.843 11.241 -16.071) 19.630 35.382 ( -2.033 -4.455 12.832) 13.735 36.009 ( -3.281 -14.256 -2.797) 14.894 ======================= Grid point 42 (34/294) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 9.584 10.266 -13.478) 19.466 2.237 ( 0.962 1.667 0.650) 2.031 2.254 ( 1.231 4.274 3.436) 5.620 2.764 ( -0.713 3.857 2.631) 4.723 3.065 ( 19.148 16.989 3.272) 25.806 3.801 ( 2.999 25.567 -0.320) 25.744 4.157 ( 2.433 3.627 -6.690) 7.989 4.304 ( 5.355 1.791 1.555) 5.857 5.045 ( 13.150 3.652 1.852) 13.772 5.509 ( -4.572 19.431 1.963) 20.058 5.881 ( -6.623 -15.612 1.457) 17.021 6.661 ( -1.121 3.650 -2.135) 4.374 7.104 ( 5.559 -14.781 -3.240) 16.120 7.478 ( -9.631 9.279 0.006) 13.373 8.154 ( 1.775 1.313 2.262) 3.161 8.328 ( -5.106 -13.802 -0.989) 14.749 11.444 ( 2.908 -0.729 -0.615) 3.061 11.916 ( 1.324 4.979 -0.440) 5.171 12.067 ( 7.470 -4.339 -1.658) 8.797 12.097 ( 0.127 -4.999 -0.205) 5.005 12.557 ( -3.499 -3.835 2.718) 5.860 12.673 ( -11.691 4.729 -0.023) 12.611 14.122 ( 1.535 -1.258 -0.046) 1.985 14.371 ( -3.568 -2.302 -0.405) 4.265 17.726 ( -3.423 -6.061 -0.102) 6.962 18.443 ( -4.261 6.317 -0.014) 7.620 18.800 ( 11.337 0.847 -2.871) 11.725 19.172 ( 0.991 5.422 2.356) 5.994 27.144 ( 11.702 4.228 -0.118) 12.443 27.673 ( -2.634 8.801 -0.033) 9.187 28.319 ( 0.652 1.934 1.720) 2.669 28.686 ( 1.120 -3.762 1.443) 4.182 28.936 ( -2.011 1.564 -2.650) 3.675 31.689 ( 1.615 6.662 -9.066) 11.366 35.347 ( -1.691 -2.243 7.904) 8.389 35.795 ( -4.975 -11.518 -2.675) 12.829 ======================= Grid point 43 (35/294) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 13.487 6.257 -10.184) 18.022 2.226 ( -1.647 0.575 1.830) 2.528 2.376 ( 2.892 6.669 0.434) 7.282 2.778 ( -0.826 -0.350 3.105) 3.232 3.518 ( 8.898 17.737 5.830) 20.682 4.069 ( 4.157 14.311 -5.244) 15.798 4.227 ( 7.458 3.392 -6.026) 10.171 4.430 ( 5.238 0.102 3.565) 6.337 5.348 ( 14.707 3.174 2.093) 15.190 5.536 ( -14.926 16.965 0.288) 22.599 5.610 ( -3.886 -13.165 2.194) 13.901 6.617 ( -3.275 -7.573 -2.389) 8.590 7.097 ( 7.362 -4.813 -3.975) 9.652 7.392 ( -7.334 6.446 1.003) 9.816 8.103 ( -3.618 -13.877 1.672) 14.438 8.185 ( -0.817 -0.696 0.818) 1.349 11.526 ( 4.641 4.332 -0.746) 6.393 11.969 ( -4.579 7.080 0.660) 8.458 12.067 ( 2.280 -2.944 -0.617) 3.774 12.128 ( -0.949 4.771 -1.143) 4.997 12.403 ( -6.137 -1.670 1.475) 6.529 12.619 ( 4.566 -10.704 0.375) 11.643 14.144 ( 1.957 -0.339 -0.196) 1.996 14.279 ( -4.067 -1.828 -0.298) 4.469 17.592 ( -4.041 -5.925 0.063) 7.172 18.464 ( -1.293 6.974 0.175) 7.095 18.989 ( 9.831 0.596 -1.696) 9.994 19.198 ( -2.681 1.587 1.362) 3.400 27.365 ( 3.367 11.582 -0.298) 12.065 27.760 ( 6.700 1.705 -0.005) 6.914 28.309 ( -2.116 -1.479 0.984) 2.763 28.680 ( 0.680 -1.078 0.920) 1.572 28.894 ( -2.387 -0.956 -1.503) 2.978 31.744 ( 1.779 2.624 -4.121) 5.199 35.337 ( 0.079 -0.519 4.217) 4.249 35.599 ( -5.137 -7.972 -2.058) 9.705 ======================= Grid point 44 (36/294) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 9.073 3.980 -8.398) 12.988 2.210 ( -0.132 -0.596 1.979) 2.071 2.472 ( -1.205 8.249 0.205) 8.339 2.750 ( 0.132 -5.042 2.126) 5.473 3.710 ( -6.927 13.984 5.098) 16.418 4.207 ( 4.404 6.774 -6.473) 10.353 4.433 ( 3.963 2.040 -1.753) 4.790 4.505 ( 9.874 -3.603 0.998) 10.558 5.268 ( -11.752 -3.330 3.036) 12.587 5.449 ( -13.230 14.658 -0.681) 19.757 5.813 ( 21.916 3.250 2.273) 22.272 6.357 ( -7.340 -21.925 -1.676) 23.182 7.178 ( -5.782 14.358 -2.125) 15.623 7.450 ( 11.917 0.328 0.322) 11.926 7.874 ( -5.628 -17.762 1.973) 18.736 8.171 ( 0.390 -0.716 -0.435) 0.924 11.669 ( 3.424 7.354 -1.110) 8.187 11.882 ( -13.811 13.465 0.707) 19.302 12.086 ( -0.597 2.208 -0.433) 2.328 12.186 ( 4.098 2.324 0.777) 4.775 12.337 ( -0.335 -4.115 -0.017) 4.129 12.571 ( 6.616 -18.713 0.400) 19.852 14.174 ( 0.536 -0.371 -0.391) 0.760 14.210 ( -1.012 -0.194 0.028) 1.030 17.497 ( -0.164 -4.563 0.206) 4.571 18.519 ( -0.838 6.503 0.370) 6.567 19.130 ( -5.193 -0.915 0.536) 5.300 19.133 ( 6.370 0.305 -1.022) 6.458 27.478 ( -5.856 16.198 -0.295) 17.227 27.901 ( 8.089 -3.911 0.228) 8.988 28.241 ( -1.147 -4.680 0.382) 4.833 28.687 ( -1.429 2.573 -0.384) 2.968 28.846 ( 1.193 -3.889 -0.055) 4.068 31.778 ( 1.651 0.180 -1.366) 2.150 35.370 ( 2.329 0.554 1.728) 2.952 35.450 ( -3.849 -4.560 -1.112) 6.070 ======================= Grid point 45 (37/294) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( -2.078 0.620 -4.794) 5.261 2.248 ( 1.949 -0.120 0.023) 1.953 2.473 ( -6.770 5.064 0.419) 8.464 2.726 ( 2.564 -4.106 0.078) 4.841 3.636 ( -14.191 6.809 2.544) 15.944 4.321 ( 2.027 6.113 -2.721) 6.992 4.398 ( -2.899 -1.604 -1.189) 3.520 4.518 ( -6.684 -9.674 -0.080) 11.759 5.241 ( 7.829 5.903 2.933) 10.234 5.363 ( -13.313 14.996 0.256) 20.055 5.933 ( -10.755 -21.274 -0.838) 23.853 6.294 ( 23.961 2.735 1.213) 24.147 7.178 ( -9.398 14.296 -0.925) 17.134 7.580 ( -5.570 -19.653 1.387) 20.474 7.747 ( 16.987 4.116 -0.093) 17.479 8.179 ( 1.595 -1.337 -1.023) 2.319 11.647 ( -9.442 3.968 0.246) 10.245 11.931 ( 0.314 13.555 -1.075) 13.601 12.077 ( -3.418 2.033 0.606) 4.022 12.274 ( -2.029 -2.461 -1.777) 3.651 12.288 ( 4.263 -1.238 2.534) 5.111 12.512 ( 8.233 -14.136 -0.143) 16.360 14.148 ( -1.775 1.046 0.021) 2.061 14.244 ( 3.315 -1.193 -0.040) 3.523 17.506 ( 4.848 -1.993 -0.240) 5.247 18.539 ( -2.825 1.944 0.547) 3.473 19.026 ( -6.449 2.230 0.645) 6.855 19.209 ( 3.256 -1.871 -0.885) 3.858 27.494 ( -9.734 13.699 -0.120) 16.805 27.873 ( -3.147 -8.590 0.381) 9.156 28.240 ( 4.387 -2.253 -0.029) 4.932 28.669 ( -2.575 2.321 -0.581) 3.515 28.877 ( 5.271 -2.593 0.113) 5.875 31.801 ( 1.514 -0.396 -0.124) 1.570 35.335 ( -3.651 -1.449 -0.709) 3.991 35.473 ( 6.612 0.398 0.723) 6.663 ======================= Grid point 46 (38/294) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( -5.816 -0.081 -1.770) 6.080 2.224 ( -3.980 0.672 -0.895) 4.135 2.370 ( -7.112 0.041 -0.024) 7.112 2.740 ( 0.757 -0.014 -1.112) 1.345 3.385 ( -18.862 -0.438 2.198) 18.995 4.143 ( -20.428 -4.467 0.020) 20.911 4.367 ( -2.479 4.431 -0.523) 5.104 4.389 ( -0.672 -0.516 -1.973) 2.147 5.288 ( -12.795 13.344 0.316) 18.490 5.475 ( -0.934 -7.984 3.770) 8.879 5.589 ( 6.558 -6.395 -1.025) 9.217 6.666 ( 9.639 2.084 -0.363) 9.868 7.156 ( -0.379 3.299 1.296) 3.565 7.382 ( -0.716 -5.183 -0.736) 5.284 8.063 ( 12.670 4.451 -0.007) 13.429 8.188 ( 2.628 -2.260 -0.776) 3.552 11.540 ( -5.631 2.225 0.042) 6.055 11.936 ( -4.215 -7.926 1.168) 9.053 12.075 ( 1.426 2.477 0.023) 2.858 12.183 ( -3.141 -3.317 -2.058) 5.011 12.342 ( 3.795 -2.309 2.143) 4.932 12.640 ( 7.563 9.620 -1.432) 12.320 14.143 ( -0.751 1.836 0.247) 1.999 14.283 ( 3.631 -2.772 0.119) 4.570 17.609 ( 7.742 -0.211 -1.056) 7.816 18.451 ( -5.302 -4.496 0.525) 6.971 18.981 ( -5.262 8.145 2.082) 9.918 19.198 ( -0.891 -3.988 -1.307) 4.291 27.378 ( -11.413 -1.059 -0.402) 11.469 27.750 ( -5.118 2.542 0.543) 5.740 28.279 ( 1.002 -1.275 0.596) 1.728 28.661 ( 0.078 0.708 0.184) 0.736 28.940 ( 3.562 -1.117 -1.058) 3.880 31.824 ( 1.087 0.271 -0.079) 1.123 35.270 ( -2.910 -0.064 -0.237) 2.920 35.626 ( 10.346 0.072 0.201) 10.348 ======================= Grid point 47 (39/294) ======================= q-point: (-0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -14.102 3.647 -0.737) 14.585 2.168 ( -3.193 1.171 -0.255) 3.411 2.242 ( -5.918 -1.234 -0.894) 6.111 2.722 ( -3.400 0.791 -1.786) 3.921 3.010 ( -20.350 -5.492 3.515) 21.369 3.748 ( -24.093 5.245 -0.420) 24.661 4.308 ( -7.518 -0.096 2.133) 7.816 4.386 ( -0.856 4.527 -3.059) 5.530 5.074 ( -14.120 -7.724 1.007) 16.126 5.298 ( -9.517 6.530 0.686) 11.562 5.870 ( 16.981 0.213 0.953) 17.009 6.654 ( -4.073 -1.047 -0.608) 4.249 7.192 ( 5.179 -11.840 0.901) 12.955 7.479 ( 1.905 15.036 -0.155) 15.157 8.174 ( 1.358 1.710 -2.030) 2.982 8.322 ( 12.279 -2.970 0.493) 12.643 11.508 ( -0.577 1.722 -0.548) 1.897 11.775 ( -0.324 -12.809 1.479) 12.899 12.057 ( -2.983 -3.228 -1.290) 4.581 12.152 ( 3.873 -2.666 -0.250) 4.709 12.396 ( 2.399 0.571 2.270) 3.352 12.874 ( 3.051 16.627 -3.074) 17.181 14.148 ( -0.188 0.179 0.506) 0.569 14.329 ( 4.488 -1.493 0.119) 4.732 17.721 ( 5.770 -2.521 -1.389) 6.447 18.324 ( -3.270 -2.929 0.246) 4.397 18.999 ( -4.764 9.788 3.372) 11.396 19.091 ( -5.262 -5.274 -1.238) 7.552 27.123 ( -9.512 -9.606 -0.858) 13.546 27.745 ( -5.796 13.064 1.216) 14.344 28.241 ( -3.446 -2.834 1.662) 4.761 28.685 ( 2.267 -0.597 0.843) 2.492 28.965 ( 0.932 -0.356 -2.247) 2.458 31.836 ( -0.382 1.056 -2.164) 2.438 35.229 ( -2.130 0.525 0.901) 2.372 35.826 ( 13.152 -1.427 -0.112) 13.229 ======================= Grid point 48 (40/294) ======================= q-point: (-0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -21.126 8.430 -2.349) 22.867 2.040 ( -12.431 2.092 -1.456) 12.690 2.223 ( 2.411 1.230 0.830) 2.831 2.545 ( -13.756 -5.634 0.674) 14.880 2.723 ( -9.863 2.416 1.727) 10.301 3.421 ( -25.467 14.637 1.425) 29.408 4.167 ( -8.024 -0.126 2.919) 8.539 4.403 ( -2.684 5.843 -2.701) 6.974 4.764 ( -11.977 -7.248 0.353) 14.004 5.174 ( -15.781 10.757 -0.135) 19.099 6.130 ( 15.676 -6.599 -0.334) 17.012 6.639 ( 1.957 1.566 1.444) 2.892 7.158 ( 3.375 -5.913 0.165) 6.810 7.557 ( -7.613 8.407 1.643) 11.460 8.201 ( -2.561 4.368 -2.388) 5.598 8.508 ( 16.677 -8.288 -1.982) 18.728 11.501 ( -1.630 -0.692 -0.227) 1.785 11.758 ( 10.367 -6.692 0.233) 12.342 11.964 ( -2.899 -2.967 -1.796) 4.520 12.207 ( 5.675 -3.968 0.576) 6.949 12.452 ( 2.510 0.939 2.396) 3.595 13.006 ( -3.584 11.098 -4.531) 12.511 14.150 ( 1.466 -1.806 0.799) 2.460 14.405 ( 4.136 0.721 -0.152) 4.201 17.743 ( 2.887 -4.633 -0.441) 5.477 18.305 ( 0.058 2.906 -1.001) 3.075 18.896 ( -7.757 -7.345 -3.051) 11.109 19.034 ( -5.720 10.332 6.432) 13.448 26.896 ( -5.760 -6.983 -0.866) 9.093 27.782 ( -9.410 16.223 2.712) 18.950 28.126 ( -4.577 -5.003 1.645) 6.977 28.730 ( 3.670 -1.523 1.641) 4.299 28.963 ( 0.234 0.322 -2.945) 2.972 31.804 ( -3.296 1.605 -8.157) 8.943 35.214 ( -0.976 0.432 4.165) 4.300 36.040 ( 14.195 -4.054 -0.417) 14.768 ======================= Grid point 50 (41/294) ======================= q-point: ( 0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -16.848 15.459 -6.360) 23.734 2.039 ( -6.695 10.236 0.930) 12.266 2.236 ( -0.434 -3.158 2.581) 4.101 2.547 ( -5.453 17.503 -0.050) 18.333 2.732 ( -6.094 4.398 2.855) 8.039 3.502 ( -25.592 16.293 3.025) 30.489 4.201 ( -3.482 4.646 0.963) 5.885 4.354 ( -6.981 2.470 -1.631) 7.583 4.680 ( 0.490 9.394 -2.018) 9.621 5.225 ( -16.763 11.216 1.053) 20.197 6.043 ( 12.764 -11.591 -1.698) 17.324 6.622 ( -2.604 -0.957 -1.449) 3.129 7.259 ( 12.904 -4.346 0.559) 13.628 7.576 ( -12.888 1.162 2.171) 13.122 8.134 ( -2.927 1.841 2.049) 4.019 8.507 ( 12.655 -7.972 -4.930) 15.748 11.452 ( 2.481 -0.529 0.076) 2.538 11.826 ( 0.104 0.862 -2.083) 2.257 12.025 ( 8.439 4.027 -1.574) 9.482 12.158 ( 5.250 -4.335 0.186) 6.811 12.569 ( 7.018 -0.757 2.403) 7.457 12.813 ( -15.166 -6.749 -1.477) 16.665 14.133 ( 2.389 -1.470 0.459) 2.842 14.435 ( 0.399 -2.403 -0.556) 2.498 17.820 ( 7.536 -0.443 0.900) 7.603 18.437 ( -6.651 6.341 -1.278) 9.278 18.531 ( -2.981 -1.098 -4.676) 5.653 19.200 ( -5.687 3.516 4.370) 7.987 26.909 ( 3.746 9.170 -0.349) 9.912 27.713 ( -16.251 -1.924 2.026) 16.490 28.182 ( -1.647 5.930 0.508) 6.175 28.741 ( 2.865 -3.003 1.759) 4.508 28.980 ( 0.522 1.564 -1.790) 2.434 31.684 ( -5.959 5.526 -15.092) 17.141 35.294 ( 1.564 -1.062 10.550) 10.718 36.025 ( 10.536 -10.512 -1.885) 15.002 ======================= Grid point 51 (42/294) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -13.192 16.231 -8.524) 22.586 2.073 ( -3.992 11.926 4.748) 13.443 2.219 ( 0.071 -0.546 1.893) 1.971 2.614 ( -9.329 16.875 -2.093) 19.395 2.710 ( -3.135 5.761 2.735) 7.106 3.301 ( -17.178 22.789 3.121) 28.708 4.122 ( -8.276 4.417 -3.101) 9.880 4.336 ( -0.763 5.341 -2.763) 6.061 4.841 ( 1.164 16.652 2.348) 16.857 5.073 ( -11.688 9.172 1.881) 14.975 6.136 ( 11.414 -13.620 -0.906) 17.793 6.569 ( -1.809 1.519 -2.350) 3.331 7.316 ( -8.119 2.462 0.505) 8.499 7.420 ( 3.530 -8.751 -1.850) 9.616 8.192 ( 2.335 6.142 4.074) 7.731 8.565 ( 7.367 -12.236 -4.474) 14.967 11.495 ( 1.547 1.291 0.244) 2.030 11.799 ( -1.203 -1.846 -2.867) 3.616 12.064 ( -3.128 -1.825 -0.916) 3.735 12.261 ( 4.885 -4.131 -0.193) 6.401 12.464 ( -6.648 -7.736 0.722) 10.226 12.825 ( 13.332 5.880 2.094) 14.721 14.156 ( 1.575 -2.048 0.137) 2.587 14.403 ( 0.490 -3.469 -0.536) 3.545 17.866 ( -0.601 -4.925 0.745) 5.017 18.313 ( -4.676 -1.245 -0.717) 4.892 18.626 ( 4.101 14.638 -5.298) 16.099 19.124 ( -8.010 2.310 3.155) 8.914 27.032 ( -4.349 6.751 -0.342) 8.038 27.530 ( -3.034 7.992 1.248) 8.639 28.173 ( -4.649 3.044 0.132) 5.559 28.740 ( 0.437 -3.471 0.358) 3.517 28.999 ( 0.789 0.056 -0.351) 0.865 31.619 ( -3.719 9.559 -17.559) 20.336 35.351 ( 2.641 -3.273 13.442) 14.085 36.055 ( 7.372 -13.161 -2.547) 15.299 ======================= Grid point 52 (43/294) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -7.760 15.031 -12.705) 21.155 2.125 ( -2.800 6.435 2.230) 7.364 2.258 ( 2.792 2.667 3.304) 5.082 2.529 ( -14.261 13.950 0.085) 19.950 2.749 ( -0.856 6.582 2.136) 6.973 3.434 ( -1.571 29.158 2.168) 29.281 4.052 ( -4.833 7.398 -2.457) 9.172 4.363 ( -1.180 4.769 -4.466) 6.639 4.859 ( -9.714 4.445 4.810) 11.716 5.200 ( 4.607 21.648 1.105) 22.161 6.103 ( 2.993 -16.331 -1.772) 16.697 6.613 ( 3.527 3.043 0.249) 4.664 7.173 ( -4.119 -6.319 0.943) 7.602 7.452 ( 1.587 7.332 -4.422) 8.708 8.284 ( -0.720 4.000 2.583) 4.816 8.501 ( 4.013 -16.383 -2.639) 17.072 11.509 ( -2.266 0.652 0.163) 2.364 11.722 ( 1.502 -10.847 -1.701) 11.082 11.961 ( -4.896 1.733 -1.951) 5.548 12.199 ( -0.613 -7.646 0.280) 7.676 12.438 ( 2.980 -1.171 1.663) 3.608 13.117 ( 8.360 7.902 1.211) 11.567 14.136 ( -0.749 -2.897 0.113) 2.995 14.400 ( 3.087 -3.410 -0.405) 4.618 17.760 ( -3.730 -4.439 0.467) 5.817 18.302 ( 3.092 1.989 -1.379) 3.927 18.844 ( 3.921 11.972 -4.819) 13.488 18.996 ( -8.837 2.659 3.594) 9.904 26.906 ( -9.126 1.283 -0.328) 9.222 27.760 ( 8.409 16.792 1.594) 18.847 28.098 ( -5.707 1.598 0.040) 5.927 28.700 ( -0.512 -3.856 -0.469) 3.918 29.000 ( -0.165 -0.421 -0.487) 0.665 31.630 ( -1.177 11.027 -16.088) 19.539 35.393 ( 1.540 -4.599 13.213) 14.075 36.003 ( 3.588 -14.243 -3.079) 15.007 ======================= Grid point 53 (44/294) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -1.143 10.953 -15.847) 19.298 2.140 ( 0.157 2.476 -0.296) 2.498 2.319 ( -0.199 -0.785 2.983) 3.091 2.563 ( 0.870 19.304 2.673) 19.507 2.812 ( -0.780 7.012 2.173) 7.382 3.728 ( 2.591 23.334 0.324) 23.479 4.094 ( -1.094 11.541 0.881) 11.626 4.348 ( -4.229 4.447 -4.446) 7.578 4.790 ( -0.811 0.455 2.108) 2.304 5.499 ( 3.263 19.595 1.584) 19.927 5.971 ( 0.708 -12.267 -1.327) 12.359 6.690 ( 1.063 2.597 1.247) 3.071 7.050 ( -0.847 -11.022 0.813) 11.084 7.591 ( 2.016 14.224 -3.483) 14.783 8.242 ( -5.910 0.078 0.954) 5.987 8.388 ( 2.149 -15.574 -1.326) 15.778 11.426 ( -3.166 -4.089 -0.418) 5.188 11.690 ( 7.652 -10.902 -0.315) 13.323 11.939 ( -1.498 4.825 -2.307) 5.554 12.124 ( -0.940 -4.193 -0.184) 4.301 12.478 ( 2.885 -3.015 2.169) 4.703 13.223 ( -6.310 8.657 0.692) 10.734 14.097 ( -0.492 -1.698 0.186) 1.778 14.412 ( 1.882 -3.863 -0.420) 4.317 17.698 ( 1.570 -4.693 0.430) 4.968 18.434 ( 7.156 6.296 -1.651) 9.674 18.762 ( -10.497 -0.814 -2.051) 10.727 19.084 ( 3.333 9.516 1.952) 10.270 26.833 ( 0.425 0.899 -0.224) 1.019 27.946 ( -8.812 12.135 0.831) 15.020 28.133 ( 9.380 4.461 1.598) 10.509 28.651 ( -0.024 -4.226 -0.359) 4.241 28.989 ( -0.820 0.898 -1.486) 1.920 31.678 ( -0.376 9.590 -12.068) 15.419 35.397 ( -0.340 -4.124 10.519) 11.303 35.884 ( 0.200 -13.301 -3.217) 13.686 ======================= Grid point 54 (45/294) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 4.379 6.027 -14.199) 16.035 2.199 ( 4.242 1.933 -0.412) 4.680 2.307 ( -1.867 1.587 2.601) 3.574 2.819 ( 2.434 6.214 1.878) 6.934 2.939 ( 10.539 14.211 3.272) 17.992 3.965 ( 3.119 14.337 -2.937) 14.963 4.241 ( 2.309 12.483 2.913) 13.024 4.297 ( -5.792 6.972 -1.843) 9.249 4.866 ( 8.979 -0.600 -0.161) 9.000 5.640 ( 1.664 -3.931 1.416) 4.498 5.921 ( -3.627 9.009 -0.150) 9.713 6.714 ( -1.497 2.299 -0.911) 2.891 6.918 ( -0.718 -11.723 0.138) 11.745 7.710 ( -3.871 11.245 -1.020) 11.936 8.151 ( -1.184 -6.796 1.904) 7.157 8.251 ( -2.477 -7.881 -1.624) 8.419 11.376 ( 2.434 -2.966 -0.449) 3.863 11.739 ( 10.100 -11.156 0.178) 15.050 11.967 ( 0.722 2.806 -1.394) 3.215 12.102 ( -0.008 2.552 -1.074) 2.769 12.486 ( 1.946 -5.280 1.908) 5.942 13.095 ( -18.006 9.293 0.601) 20.272 14.093 ( 0.769 -0.110 0.182) 0.797 14.378 ( -0.804 -4.121 -0.455) 4.223 17.688 ( 1.285 -4.899 0.248) 5.071 18.569 ( -6.540 1.030 -0.449) 6.636 18.654 ( 8.243 4.994 -2.548) 9.969 19.208 ( 1.424 5.032 2.064) 5.622 26.939 ( 10.562 0.646 -0.009) 10.582 27.893 ( -8.073 9.592 -0.238) 12.539 28.309 ( 3.695 3.207 1.974) 5.276 28.620 ( 1.550 -4.208 0.468) 4.509 28.980 ( -1.568 1.854 -1.847) 3.051 31.722 ( -0.323 6.615 -7.370) 9.908 35.374 ( -1.348 -2.556 6.938) 7.516 35.734 ( -2.124 -10.576 -2.776) 11.139 ======================= Grid point 55 (46/294) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 10.521 3.507 -8.194) 13.789 2.277 ( -1.052 2.144 0.524) 2.445 2.339 ( 5.344 2.327 0.726) 5.874 2.839 ( -3.244 2.113 2.496) 4.606 3.386 ( 21.144 11.656 2.978) 24.327 4.077 ( 0.103 3.894 -7.684) 8.615 4.280 ( 0.529 3.349 2.199) 4.041 4.435 ( -0.821 16.344 2.068) 16.495 5.081 ( 16.052 0.065 -0.084) 16.052 5.538 ( -1.229 -14.174 1.956) 14.361 5.955 ( -10.487 18.696 0.209) 21.437 6.594 ( -6.922 -12.056 -1.961) 14.040 6.892 ( 6.976 -1.291 -1.650) 7.284 7.685 ( -10.729 11.600 -0.105) 15.801 8.010 ( -1.870 -14.940 0.972) 15.088 8.191 ( -1.116 -1.025 0.709) 1.673 11.456 ( 7.162 2.156 -0.272) 7.485 11.808 ( 11.121 -11.907 0.183) 16.294 12.023 ( 2.915 2.791 -0.288) 4.046 12.154 ( 1.071 5.463 -1.541) 5.777 12.451 ( 0.508 -6.882 1.416) 7.045 12.824 ( -22.648 8.241 0.448) 24.105 14.115 ( 1.289 0.624 0.114) 1.437 14.309 ( -2.200 -3.681 -0.369) 4.304 17.619 ( -3.972 -3.940 0.123) 5.596 18.506 ( 0.379 -0.382 -0.497) 0.733 18.860 ( 7.780 6.501 -1.356) 10.228 19.244 ( -1.124 0.495 1.415) 1.874 27.191 ( 16.646 0.887 0.223) 16.671 27.867 ( -6.019 9.647 -0.724) 11.393 28.335 ( -2.014 -0.901 0.848) 2.364 28.627 ( 2.938 -2.661 1.109) 4.116 28.945 ( -3.497 0.451 -1.313) 3.763 31.750 ( -0.201 3.315 -3.466) 4.801 35.352 ( -1.000 -0.919 3.652) 3.896 35.590 ( -3.304 -6.891 -1.839) 7.860 ======================= Grid point 56 (47/294) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 13.732 2.702 -2.693) 14.252 2.252 ( -3.006 1.018 0.247) 3.183 2.483 ( 6.736 3.171 -0.049) 7.445 2.775 ( -5.630 -0.971 1.820) 5.996 3.862 ( 13.731 12.270 6.677) 19.588 4.044 ( 4.428 -5.238 -9.809) 11.970 4.360 ( 3.589 1.698 1.826) 4.370 4.507 ( -4.884 6.787 -0.806) 8.401 5.366 ( -4.985 -6.545 1.693) 8.400 5.427 ( 20.843 1.551 1.251) 20.938 5.920 ( -14.721 18.485 0.629) 23.639 6.274 ( -9.394 -20.420 -2.076) 22.573 7.090 ( 15.133 2.510 -1.915) 15.459 7.599 ( -11.857 11.646 -0.246) 16.622 7.811 ( -5.649 -14.015 1.584) 15.193 8.160 ( -0.360 -1.878 0.357) 1.946 11.640 ( 7.499 6.283 -0.355) 9.790 11.907 ( 12.726 -7.553 0.042) 14.798 12.108 ( 3.547 1.827 0.394) 4.009 12.214 ( 0.401 3.813 -1.024) 3.968 12.372 ( -3.232 -5.268 0.995) 6.259 12.502 ( -19.527 2.305 0.028) 19.662 14.149 ( 1.611 1.014 -0.011) 1.903 14.236 ( -2.221 -2.390 -0.171) 3.267 17.505 ( -4.474 -2.159 0.198) 4.972 18.548 ( 3.187 0.840 -0.240) 3.305 19.031 ( 5.549 4.631 -0.558) 7.249 19.195 ( -3.115 -2.554 0.510) 4.061 27.503 ( 16.231 2.154 0.431) 16.379 27.857 ( -5.019 6.548 -0.855) 8.295 28.251 ( -4.328 -3.705 0.335) 5.707 28.675 ( 3.808 -0.200 0.782) 3.893 28.860 ( -5.076 -1.112 -0.695) 5.243 31.763 ( 0.266 0.880 -1.053) 1.398 35.351 ( 0.622 0.161 1.288) 1.439 35.474 ( -3.699 -3.250 -0.780) 4.985 ======================= Grid point 57 (48/294) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 7.707 2.038 -0.025) 7.972 2.209 ( -1.201 -0.216 -0.000) 1.221 2.619 ( 5.779 -1.761 -0.127) 6.043 2.643 ( -7.876 1.827 0.173) 8.087 3.871 ( -8.960 -1.471 -0.250) 9.084 4.270 ( 10.426 0.569 0.303) 10.446 4.444 ( -0.125 1.262 0.380) 1.324 4.447 ( 2.459 -1.364 -0.371) 2.836 5.231 ( -4.230 -0.280 -0.160) 4.242 5.810 ( -10.287 19.831 0.462) 22.345 5.864 ( -3.394 -20.864 -0.465) 21.143 5.911 ( 12.773 1.076 0.077) 12.818 7.408 ( 13.306 -0.528 -0.020) 13.316 7.532 ( 0.963 -4.266 -0.115) 4.375 7.541 ( -14.292 4.866 0.135) 15.098 8.156 ( 0.577 0.079 -0.002) 0.583 11.754 ( 1.062 -0.170 -0.001) 1.076 12.118 ( 7.492 3.319 -0.820) 8.235 12.141 ( -4.894 -11.989 1.589) 13.046 12.172 ( -7.691 7.833 -0.813) 11.008 12.253 ( 3.023 4.224 0.026) 5.195 12.326 ( 0.619 -3.200 0.019) 3.260 14.187 ( 1.312 1.036 -0.009) 1.672 14.189 ( -1.019 -1.094 0.009) 1.495 17.452 ( -0.191 0.348 -0.000) 0.397 18.586 ( -0.298 -0.489 -0.000) 0.573 19.117 ( -1.400 -2.527 -0.000) 2.889 19.136 ( 1.834 2.569 0.001) 3.157 27.750 ( -3.326 8.824 -0.008) 9.430 27.774 ( 3.544 -9.194 0.009) 9.853 28.174 ( -0.290 0.068 -0.000) 0.298 28.758 ( -2.443 4.261 -0.058) 4.912 28.762 ( 2.706 -3.910 0.058) 4.755 31.776 ( 1.064 0.065 -0.000) 1.066 35.389 ( 2.403 -0.653 0.011) 2.490 35.390 ( -2.841 0.645 -0.011) 2.913 ======================= Grid point 58 (49/294) ======================= q-point: (-0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -3.375 0.184 2.999) 4.518 2.257 ( 1.999 1.677 -1.756) 3.145 2.469 ( -6.572 -5.397 -0.093) 8.505 2.728 ( 2.177 4.636 -1.101) 5.239 3.621 ( -13.307 -9.250 0.517) 16.215 4.338 ( 0.603 -0.862 -0.676) 1.250 4.359 ( -5.005 -3.658 3.482) 7.110 4.525 ( -4.273 9.293 -0.667) 10.250 5.266 ( 9.260 -2.202 -2.423) 9.822 5.475 ( -8.794 -21.767 -0.974) 23.497 5.744 ( -14.192 19.459 1.347) 24.122 6.385 ( 24.271 4.556 0.095) 24.695 7.179 ( -8.361 -17.101 1.925) 19.133 7.486 ( -6.815 13.125 -1.975) 14.921 7.840 ( 17.955 4.875 -0.183) 18.606 8.166 ( -0.419 0.714 0.664) 1.061 11.685 ( -7.560 -0.455 0.239) 7.577 11.859 ( -5.019 -17.612 0.618) 18.324 12.099 ( -1.958 -1.130 -0.254) 2.275 12.189 ( -1.967 0.367 -1.281) 2.376 12.321 ( 1.368 1.794 1.158) 2.536 12.581 ( 13.566 15.617 -0.913) 20.707 14.180 ( -0.171 1.235 0.085) 1.250 14.207 ( 1.109 -1.405 0.124) 1.794 17.504 ( 4.363 2.144 -0.575) 4.896 18.508 ( -5.364 -4.181 0.263) 6.806 19.110 ( 0.988 1.197 0.771) 1.733 19.154 ( -1.392 0.101 -0.329) 1.434 27.494 ( -10.829 -13.008 -0.618) 16.937 27.882 ( -0.634 8.198 0.838) 8.265 28.230 ( 3.485 1.522 0.181) 3.807 28.685 ( -2.471 -1.231 0.388) 2.787 28.861 ( 4.464 1.894 -0.674) 4.896 31.804 ( 1.634 0.614 0.013) 1.746 35.332 ( -3.602 1.204 0.544) 3.837 35.476 ( 6.570 -0.169 -0.554) 6.596 ======================= Grid point 59 (50/294) ======================= q-point: (-0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( -4.119 2.284 6.208) 7.793 2.244 ( -4.374 2.756 -3.946) 6.503 2.318 ( -5.274 -3.694 -0.968) 6.511 2.779 ( -1.001 3.884 -1.305) 4.218 3.255 ( -16.078 -11.524 2.587) 19.950 4.147 ( -15.096 3.419 -0.595) 15.490 4.393 ( 0.774 2.176 1.036) 2.531 4.494 ( -7.667 6.683 1.049) 10.225 5.124 ( -7.988 -17.871 -0.374) 19.579 5.404 ( 8.393 -3.322 -2.515) 9.370 5.764 ( -3.858 15.272 1.265) 15.803 6.695 ( 2.591 1.855 -1.962) 3.742 6.973 ( 4.590 -12.025 2.221) 13.062 7.566 ( 2.950 12.718 -1.529) 13.145 8.121 ( 6.030 -0.209 0.947) 6.107 8.172 ( 3.768 2.443 0.227) 4.496 11.550 ( -4.638 -1.964 0.124) 5.038 11.634 ( -1.500 -16.069 0.270) 16.141 12.057 ( -0.673 -3.146 -0.561) 3.266 12.145 ( -3.015 1.712 -1.218) 3.674 12.370 ( 2.365 0.096 2.070) 3.144 12.947 ( 8.170 17.837 -2.017) 19.723 14.174 ( -2.332 0.397 0.433) 2.405 14.234 ( 4.518 -1.237 -0.088) 4.685 17.607 ( 4.982 0.389 -0.922) 5.081 18.374 ( -4.717 -1.804 0.272) 5.057 19.070 ( -2.242 -7.739 -1.085) 8.130 19.171 ( -1.748 8.005 2.274) 8.503 27.172 ( -9.674 -13.149 -0.730) 16.340 27.946 ( -2.244 10.106 1.031) 10.404 28.270 ( -1.025 0.508 1.017) 1.531 28.653 ( 0.308 -1.786 0.739) 1.957 28.935 ( 2.162 1.671 -1.527) 3.130 31.838 ( 0.963 1.386 -1.248) 2.099 35.290 ( -3.271 1.748 1.227) 3.907 35.608 ( 9.732 -1.667 -0.730) 9.901 ======================= Grid point 60 (51/294) ======================= q-point: (-0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -12.901 8.492 2.081) 15.585 2.181 ( -4.888 -0.857 -0.502) 4.988 2.211 ( -1.019 0.805 -2.486) 2.805 2.734 ( -8.756 1.341 -1.298) 8.953 2.918 ( -11.646 -3.684 4.422) 12.991 3.935 ( -17.317 11.360 0.155) 20.711 4.334 ( -9.339 1.907 2.128) 9.767 4.484 ( -1.260 5.350 -0.192) 5.499 4.836 ( -7.345 -12.382 0.619) 14.410 5.463 ( -1.324 3.769 -2.402) 4.662 5.875 ( 4.176 2.829 -0.314) 5.054 6.649 ( -2.016 1.009 -1.107) 2.512 6.996 ( 5.555 -8.087 1.228) 9.888 7.770 ( 0.873 12.306 0.261) 12.340 8.147 ( 7.309 -4.155 -0.313) 8.414 8.272 ( 1.669 -0.907 -0.236) 1.914 11.487 ( 1.532 -11.910 0.128) 12.009 11.537 ( 3.983 0.320 -0.163) 3.999 11.999 ( -2.463 -2.026 -1.367) 3.469 12.128 ( 0.166 0.201 -0.579) 0.635 12.417 ( 2.728 -0.599 2.218) 3.567 13.159 ( -1.277 11.717 -2.817) 12.118 14.133 ( -1.326 -1.492 0.571) 2.077 14.325 ( 5.734 0.590 -0.100) 5.765 17.653 ( 2.619 -2.896 -0.363) 3.922 18.350 ( -0.490 5.548 -0.711) 5.615 18.912 ( -5.025 -9.497 -1.715) 10.880 19.218 ( -3.058 7.139 3.797) 8.645 26.922 ( -5.977 -7.747 -0.683) 9.808 28.024 ( -0.878 10.006 1.083) 10.103 28.199 ( -7.677 -0.772 2.152) 8.010 28.661 ( 2.506 -2.256 1.070) 3.537 28.963 ( 0.093 1.745 -2.207) 2.815 31.842 ( -1.492 1.673 -4.477) 5.007 35.263 ( -2.405 1.475 2.905) 4.050 35.767 ( 11.839 -4.059 -0.919) 12.549 ======================= Grid point 62 (52/294) ======================= q-point: ( 0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( -13.531 10.178 -9.377) 19.355 2.177 ( -1.665 5.783 -0.445) 6.035 2.227 ( -1.067 -2.108 3.995) 4.641 2.828 ( -4.516 11.272 2.885) 12.481 2.866 ( -4.180 6.930 2.224) 8.393 4.058 ( -19.262 13.236 0.837) 23.386 4.299 ( -3.028 2.510 2.426) 4.621 4.485 ( -7.353 0.957 -0.597) 7.439 4.720 ( 4.064 8.297 -1.689) 9.392 5.483 ( 4.979 -2.259 -0.801) 5.526 5.856 ( -9.599 0.952 -0.997) 9.697 6.660 ( -0.582 0.946 -1.799) 2.115 6.969 ( 11.975 -5.884 0.815) 13.368 7.792 ( -12.820 -4.056 0.556) 13.458 8.120 ( 8.457 -6.147 0.959) 10.499 8.282 ( 2.018 0.534 -0.860) 2.258 11.384 ( 4.550 0.338 -0.279) 4.571 11.761 ( 11.611 4.418 0.642) 12.439 11.944 ( 0.871 1.007 -1.757) 2.205 12.123 ( -2.244 1.794 -1.408) 3.199 12.457 ( 5.106 -2.483 1.862) 5.975 13.012 ( -15.909 -7.975 -0.566) 17.805 14.101 ( 0.412 -0.015 0.292) 0.506 14.386 ( 2.446 -2.629 -0.319) 3.605 17.696 ( 5.777 -0.940 0.425) 5.868 18.529 ( -2.209 -5.280 -2.089) 6.093 18.614 ( -3.679 10.610 -1.311) 11.306 19.310 ( -3.151 0.700 2.716) 4.219 26.931 ( 4.422 9.495 -0.119) 10.475 27.924 ( -10.707 -3.321 0.020) 11.210 28.282 ( -3.095 4.377 1.539) 5.577 28.663 ( 3.566 -1.840 1.401) 4.251 28.991 ( -0.528 0.881 -1.723) 2.006 31.779 ( -4.460 2.256 -6.919) 8.535 35.311 ( -1.032 0.511 5.831) 5.944 35.747 ( 9.303 -8.403 -2.106) 12.712 ======================= Grid point 63 (53/294) ======================= q-point: ( 0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -13.793 11.529 -9.693) 20.424 2.197 ( -0.225 0.733 4.249) 4.317 2.233 ( -1.060 5.632 -0.246) 5.736 2.801 ( -2.692 0.911 3.201) 4.281 2.978 ( -6.523 22.844 1.445) 23.801 3.830 ( -20.517 14.901 0.742) 25.368 4.283 ( -5.450 3.650 -1.144) 6.658 4.388 ( -2.437 1.646 -2.512) 3.868 4.942 ( 6.689 16.797 1.524) 18.144 5.406 ( -15.103 5.240 1.344) 16.043 5.806 ( 9.533 -11.151 -0.075) 14.671 6.643 ( -2.929 3.728 -2.399) 5.314 7.148 ( 14.267 -6.047 -2.645) 15.720 7.498 ( -12.852 -6.350 0.818) 14.358 8.199 ( 4.412 -0.625 3.089) 5.422 8.321 ( 5.523 -7.346 -1.548) 9.320 11.460 ( 2.849 1.728 -0.346) 3.350 11.866 ( -4.079 3.525 -0.932) 5.471 12.094 ( 7.616 -1.885 -0.166) 7.848 12.104 ( 1.898 4.599 -1.858) 5.311 12.499 ( -2.569 -7.900 2.287) 8.616 12.704 ( -0.746 -2.827 0.338) 2.943 14.121 ( 1.363 0.096 -0.035) 1.367 14.364 ( -0.287 -4.087 -0.477) 4.125 17.764 ( 4.995 -5.571 0.477) 7.498 18.418 ( -6.630 -0.830 -0.536) 6.703 18.697 ( 1.315 12.797 -3.051) 13.221 19.257 ( -4.616 0.075 2.409) 5.208 27.140 ( 3.348 13.027 -0.117) 13.451 27.691 ( -10.649 -0.105 0.028) 10.649 28.271 ( -2.868 2.284 1.038) 3.811 28.694 ( 1.539 -2.423 1.170) 3.099 28.987 ( 0.444 -0.364 -1.325) 1.444 31.713 ( -3.659 4.715 -8.964) 10.769 35.331 ( 0.905 -1.161 7.820) 7.957 35.793 ( 7.665 -10.566 -2.686) 13.327 ======================= Grid point 64 (54/294) ======================= q-point: ( 0.25 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -11.946 8.703 -12.316) 19.239 2.244 ( 2.379 1.622 3.643) 4.643 2.244 ( -4.262 5.029 0.018) 6.592 2.810 ( 0.349 3.031 2.371) 3.864 2.993 ( -17.006 18.134 3.077) 25.050 3.756 ( -7.271 20.105 0.035) 21.380 4.208 ( -4.789 5.594 -5.042) 8.925 4.407 ( 0.060 4.429 0.029) 4.429 5.138 ( -15.467 3.828 4.043) 16.439 5.297 ( 7.210 18.045 0.684) 19.445 5.847 ( 7.890 -14.109 -0.388) 16.170 6.638 ( -1.564 5.399 -1.161) 5.740 7.163 ( -2.816 -12.378 -1.135) 12.745 7.418 ( 6.694 5.909 -2.967) 9.409 8.270 ( 2.585 -3.404 2.691) 5.051 8.302 ( 3.941 -9.172 -0.403) 9.991 11.507 ( 1.543 0.127 -0.656) 1.682 11.737 ( -10.903 -3.870 -0.572) 11.583 12.060 ( -4.116 1.883 -1.120) 4.663 12.147 ( -0.815 -4.109 -0.516) 4.221 12.385 ( 1.617 -2.605 1.777) 3.544 12.948 ( 17.558 4.927 0.884) 18.257 14.133 ( -0.350 -0.092 -0.263) 0.448 14.319 ( 1.033 -4.436 -0.412) 4.573 17.755 ( 0.570 -6.182 0.364) 6.219 18.311 ( -4.001 1.750 -0.461) 4.392 18.880 ( 4.600 12.425 -2.663) 13.515 19.158 ( -7.135 -0.689 2.089) 7.466 27.129 ( -13.032 3.400 -0.563) 13.480 27.736 ( 8.436 11.027 0.716) 13.902 28.230 ( -4.787 2.235 1.021) 5.381 28.674 ( -0.678 -3.095 0.095) 3.170 28.989 ( 0.820 -0.893 -0.784) 1.444 31.698 ( -1.235 6.601 -9.169) 11.365 35.362 ( 1.608 -2.528 8.385) 8.904 35.784 ( 5.129 -11.388 -3.088) 12.866 ======================= Grid point 65 (55/294) ======================= q-point: ( 0.33 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -6.982 4.883 -14.400) 16.732 2.196 ( -4.404 2.093 -0.749) 4.933 2.314 ( 1.930 1.851 2.185) 3.454 2.849 ( -6.779 9.181 0.011) 11.413 2.901 ( -5.524 10.802 5.614) 13.368 3.894 ( -0.647 16.458 -0.290) 16.473 4.225 ( 0.237 7.139 -3.592) 7.995 4.465 ( -1.888 10.371 0.757) 10.569 4.896 ( -11.595 -2.359 2.435) 12.081 5.570 ( 3.095 4.728 0.587) 5.681 5.843 ( 6.122 -0.017 -1.053) 6.212 6.692 ( 1.568 4.078 0.802) 4.442 7.000 ( -2.627 -9.190 1.090) 9.620 7.620 ( 7.444 9.112 -4.443) 12.577 8.180 ( -0.179 -13.234 0.436) 13.242 8.321 ( 0.709 -1.547 1.269) 2.122 11.475 ( -9.169 -7.936 -0.241) 12.129 11.520 ( 2.149 -2.900 -0.688) 3.674 12.015 ( -3.161 1.917 -0.885) 3.801 12.118 ( -0.613 1.533 -0.901) 1.881 12.407 ( 2.445 -3.338 2.031) 4.609 13.265 ( 10.187 5.759 0.400) 11.709 14.111 ( -1.700 0.564 -0.020) 1.792 14.314 ( 3.270 -4.846 -0.449) 5.863 17.678 ( -2.612 -3.797 0.394) 4.626 18.353 ( 5.666 3.651 -0.746) 6.782 18.935 ( -9.416 0.550 -2.009) 9.644 19.123 ( 2.777 6.761 1.987) 7.574 26.927 ( -9.849 1.089 -0.537) 9.924 28.022 ( 9.708 6.351 1.178) 11.660 28.175 ( -5.459 6.957 1.276) 8.935 28.621 ( -1.186 -3.513 -0.569) 3.751 28.995 ( 0.639 0.258 -0.917) 1.147 31.731 ( 0.056 6.432 -7.539) 9.911 35.383 ( 0.937 -2.849 7.191) 7.792 35.728 ( 2.430 -10.407 -3.003) 11.101 ======================= Grid point 66 (56/294) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -0.435 1.882 -12.198) 12.350 2.164 ( 0.165 0.772 -0.813) 1.134 2.350 ( -0.286 1.445 1.076) 1.824 2.864 ( -0.680 7.572 1.054) 7.675 2.984 ( 0.929 8.573 3.538) 9.321 4.035 ( 1.209 10.894 -0.337) 10.966 4.275 ( -0.018 1.746 -3.028) 3.495 4.567 ( -3.868 18.869 2.721) 19.453 4.752 ( -0.368 -4.226 0.483) 4.269 5.506 ( 0.861 -14.251 -0.755) 14.297 6.052 ( 3.965 14.383 -0.221) 14.921 6.745 ( -0.215 2.226 -0.262) 2.251 6.884 ( -3.044 -5.696 2.076) 6.784 7.797 ( 4.442 6.706 -2.604) 8.454 8.040 ( -1.286 -11.796 1.061) 11.913 8.292 ( -2.821 -0.121 -0.079) 2.825 11.309 ( -1.021 -6.263 -0.316) 6.353 11.533 ( 3.726 -4.306 -0.184) 5.697 11.980 ( -1.086 -0.093 -0.395) 1.160 12.148 ( -0.475 6.380 -1.495) 6.570 12.406 ( 1.740 -5.521 1.867) 6.082 13.380 ( -4.049 6.004 0.202) 7.244 14.103 ( -0.825 2.162 0.203) 2.323 14.311 ( 2.292 -5.728 -0.367) 6.180 17.625 ( 0.378 -2.652 0.230) 2.689 18.543 ( 10.166 5.307 -0.896) 11.503 18.719 ( -11.537 -2.485 -0.917) 11.838 19.238 ( 1.714 4.687 1.329) 5.164 26.846 ( 0.251 0.544 -0.222) 0.639 28.067 ( -3.705 2.085 0.008) 4.252 28.295 ( 3.913 7.686 2.151) 8.889 28.567 ( -0.300 -3.682 -0.542) 3.734 29.007 ( -0.087 1.368 -1.029) 1.714 31.767 ( -0.193 4.658 -4.809) 6.698 35.384 ( -0.204 -2.017 4.812) 5.222 35.649 ( 0.141 -7.725 -2.291) 8.059 ======================= Grid point 67 (57/294) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 6.166 0.805 -5.431) 8.256 2.221 ( 5.620 0.597 -0.388) 5.665 2.348 ( -1.529 1.020 0.637) 1.945 2.914 ( -1.183 2.339 1.564) 3.052 3.169 ( 12.134 5.694 0.667) 13.420 4.134 ( -1.024 6.467 -2.911) 7.165 4.254 ( 0.395 -1.885 1.772) 2.617 4.694 ( -4.420 16.034 1.296) 16.683 4.824 ( 11.400 -1.007 -0.207) 11.446 5.387 ( 2.316 -12.893 0.242) 13.101 6.189 ( -1.046 6.727 -0.549) 6.830 6.672 ( -9.795 0.092 -1.190) 9.868 6.827 ( 0.665 -0.757 0.707) 1.231 7.882 ( 1.628 -7.827 -0.711) 8.026 7.911 ( -3.939 3.580 0.539) 5.350 8.234 ( -4.126 0.479 0.372) 4.171 11.322 ( 7.339 -1.866 -0.169) 7.574 11.563 ( 5.434 -5.648 0.321) 7.844 11.992 ( 2.199 0.830 -0.170) 2.356 12.206 ( -0.245 7.009 -1.724) 7.222 12.371 ( 1.046 -7.069 1.343) 7.271 13.260 ( -16.215 6.279 0.220) 17.389 14.121 ( -0.190 2.789 0.293) 2.811 14.275 ( 0.461 -5.646 -0.222) 5.669 17.621 ( 0.584 -1.630 0.030) 1.732 18.515 ( -6.130 -3.705 -0.802) 7.207 18.785 ( 9.744 6.614 -0.484) 11.787 19.272 ( -1.223 0.410 0.956) 1.606 26.946 ( 10.592 -0.006 0.147) 10.593 28.031 ( -3.969 4.429 -0.599) 5.977 28.370 ( -1.387 1.316 0.741) 2.051 28.552 ( 2.581 -2.386 0.549) 3.558 28.998 ( -2.092 0.629 -0.672) 2.286 31.782 ( -0.838 2.238 -1.988) 3.108 35.371 ( -0.901 -0.685 2.126) 2.408 35.571 ( -1.542 -4.020 -1.118) 4.448 ======================= Grid point 68 (58/294) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 12.286 0.981 1.718) 12.444 2.311 ( -1.890 0.825 -0.200) 2.072 2.358 ( 7.428 -0.643 0.173) 7.458 2.877 ( -4.757 0.453 0.935) 4.869 3.505 ( 22.865 -1.174 -2.801) 23.065 4.103 ( -5.223 3.707 0.043) 6.405 4.282 ( 3.917 -4.816 1.763) 6.453 4.689 ( -7.260 2.803 -0.606) 7.806 5.099 ( 18.312 2.446 0.526) 18.482 5.355 ( 1.413 -1.207 0.843) 2.041 6.116 ( -5.271 -11.434 -1.234) 12.651 6.475 ( -16.653 10.961 0.247) 19.938 6.893 ( 7.904 0.312 -1.167) 7.995 7.715 ( -4.825 -11.841 1.170) 12.840 7.956 ( -5.607 12.442 -1.234) 13.702 8.157 ( -3.048 -2.180 0.789) 3.830 11.521 ( 13.762 4.183 -0.236) 14.385 11.610 ( 7.382 -7.167 0.687) 10.312 12.056 ( 3.539 0.749 0.130) 3.620 12.258 ( -0.623 5.399 -1.823) 5.732 12.313 ( 0.403 -7.425 0.930) 7.494 12.968 ( -23.222 5.152 0.284) 23.788 14.151 ( 0.236 2.813 0.252) 2.834 14.224 ( -0.229 -4.238 -0.093) 4.246 17.585 ( -4.190 0.663 0.059) 4.242 18.452 ( 3.360 -3.737 -0.560) 5.056 18.998 ( 6.851 6.669 -0.245) 9.564 19.214 ( -3.403 -3.936 0.472) 5.224 27.194 ( 17.312 -0.652 0.466) 17.331 27.998 ( -4.637 2.623 -0.952) 5.412 28.306 ( -4.359 -1.735 -0.150) 4.694 28.601 ( 3.859 -0.395 0.860) 3.973 28.942 ( -4.308 0.131 -0.197) 4.315 31.774 ( -0.856 0.136 0.110) 0.874 35.357 ( -0.687 0.296 -0.118) 0.757 35.510 ( -2.763 -0.247 0.103) 2.776 ======================= Grid point 70 (59/294) ======================= q-point: (-0.33 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 13.916 0.469 5.075) 14.820 2.258 ( -3.422 -0.689 -0.106) 3.492 2.478 ( 6.794 -3.440 -0.148) 7.617 2.785 ( -5.853 1.620 -0.688) 6.111 3.793 ( 12.725 -12.024 -8.670) 19.536 4.130 ( 4.454 7.701 8.217) 12.111 4.291 ( 5.673 -8.055 1.160) 9.920 4.549 ( -6.554 -2.826 -0.336) 7.146 5.344 ( -3.868 4.465 -1.975) 6.229 5.500 ( 20.919 3.851 1.455) 21.321 5.797 ( -8.850 -21.476 -2.706) 23.385 6.335 ( -17.330 17.942 1.516) 24.991 7.108 ( 15.690 -1.103 0.615) 15.741 7.501 ( -5.780 -10.600 0.874) 12.105 7.904 ( -13.345 12.479 -1.593) 18.340 8.145 ( 1.682 1.216 0.062) 2.077 11.649 ( 5.162 -6.542 0.829) 8.375 11.870 ( 18.073 5.123 -0.965) 18.810 12.098 ( 0.836 -2.209 0.419) 2.399 12.255 ( -0.210 -3.966 1.910) 4.407 12.275 ( -0.770 1.799 -2.459) 3.143 12.602 ( -22.271 4.828 0.188) 22.789 14.168 ( -0.484 -1.157 0.288) 1.287 14.206 ( 0.791 1.629 -0.086) 1.813 17.519 ( -4.737 3.425 0.125) 5.847 18.513 ( 6.001 -3.221 -0.432) 6.824 19.092 ( -3.152 -5.521 -0.161) 6.359 19.151 ( 3.279 4.282 0.335) 5.404 27.496 ( 17.100 -2.815 0.585) 17.340 27.874 ( -7.431 -5.461 -0.633) 9.243 28.238 ( -3.081 2.853 -0.411) 4.219 28.670 ( 3.847 -0.576 0.191) 3.894 28.870 ( -4.755 2.428 0.322) 5.349 31.765 ( 0.176 -0.765 1.172) 1.411 35.356 ( 0.571 0.379 -1.494) 1.643 35.469 ( -3.684 2.758 0.967) 4.703 ======================= Grid point 71 (60/294) ======================= q-point: (-0.25 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 6.774 -1.732 7.550) 10.290 2.203 ( 0.222 0.465 -1.935) 2.002 2.466 ( -1.227 -8.269 -0.111) 8.360 2.764 ( -0.282 5.826 -2.022) 6.173 3.655 ( -5.218 -16.292 -3.621) 17.486 4.271 ( 4.415 -2.059 6.917) 8.460 4.420 ( -2.694 -1.031 -1.875) 3.440 4.496 ( 14.062 0.928 2.018) 14.236 5.252 ( -9.299 3.072 -4.282) 10.689 5.400 ( -7.930 -20.298 -1.606) 21.851 5.950 ( 22.957 0.429 -0.170) 22.962 6.240 ( -13.874 19.976 1.788) 24.387 7.136 ( -4.347 -15.677 2.996) 16.542 7.570 ( 16.901 5.415 -0.725) 17.763 7.787 ( -12.521 11.483 -1.913) 17.097 8.195 ( 0.439 3.690 0.192) 3.721 11.635 ( 2.135 -10.038 0.324) 10.268 11.947 ( -12.646 -5.804 0.474) 13.922 12.078 ( 1.405 -4.811 -0.803) 5.076 12.224 ( -0.020 -0.927 1.590) 1.841 12.331 ( -0.257 3.622 -1.960) 4.127 12.512 ( 8.677 14.878 0.058) 17.224 14.147 ( 0.460 -2.002 0.010) 2.054 14.241 ( -0.517 3.321 0.200) 3.367 17.512 ( -1.081 5.278 -0.084) 5.389 18.529 ( -0.914 -3.975 -0.012) 4.079 19.012 ( 2.290 -7.470 0.168) 7.815 19.225 ( -0.152 4.816 0.002) 4.818 27.504 ( -6.823 -15.630 -0.441) 17.060 27.851 ( 8.823 1.555 0.800) 8.995 28.248 ( -0.703 5.260 -0.378) 5.320 28.689 ( -0.166 -2.652 -0.514) 2.707 28.864 ( -0.410 5.405 0.676) 5.463 31.779 ( 1.667 -0.237 1.294) 2.123 35.376 ( 1.898 -0.198 -1.650) 2.523 35.443 ( -3.452 4.210 1.047) 5.544 ======================= Grid point 72 (61/294) ======================= q-point: (-0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( -0.930 -1.149 7.180) 7.331 2.287 ( 2.424 1.559 -1.504) 3.251 2.339 ( -3.007 -5.856 -0.262) 6.589 2.824 ( 0.548 5.166 -2.349) 5.702 3.346 ( -9.520 -16.157 0.324) 18.756 4.321 ( -4.884 0.423 -2.972) 5.733 4.373 ( 4.184 0.551 6.272) 7.559 4.693 ( 0.270 5.361 1.586) 5.597 5.037 ( -3.959 -16.931 -4.098) 17.864 5.192 ( -0.061 -4.818 -2.130) 5.268 6.074 ( -8.398 10.228 0.894) 13.264 6.487 ( 18.793 6.505 0.006) 19.887 6.905 ( -6.190 -10.075 1.137) 11.880 7.705 ( -7.498 9.409 -1.266) 12.098 7.924 ( 15.836 3.135 0.380) 16.148 8.224 ( -1.641 4.199 0.461) 4.532 11.509 ( -3.092 -13.734 0.062) 14.078 11.669 ( -10.255 -2.582 0.148) 10.576 12.029 ( -0.451 -4.264 -0.550) 4.323 12.217 ( -1.749 0.926 0.741) 2.114 12.335 ( 0.630 0.115 -0.058) 0.643 12.919 ( 14.222 16.302 -1.036) 21.659 14.153 ( 2.452 -1.783 -0.170) 3.037 14.242 ( -2.891 2.682 0.276) 3.953 17.568 ( 1.392 3.668 -0.298) 3.935 18.439 ( -4.055 -1.494 0.399) 4.340 18.981 ( 1.964 -9.423 -0.070) 9.626 19.266 ( -0.588 5.571 0.315) 5.611 27.192 ( -8.936 -14.672 -0.490) 17.186 27.996 ( 4.299 2.388 0.897) 4.999 28.303 ( 0.651 4.565 0.123) 4.612 28.641 ( -1.322 -2.469 -0.260) 2.813 28.929 ( 1.349 4.105 -0.001) 4.320 31.821 ( 2.116 0.789 0.548) 2.324 35.381 ( -2.707 2.306 0.751) 3.634 35.466 ( 3.622 0.525 -1.033) 3.803 ======================= Grid point 73 (62/294) ======================= q-point: (-0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 0.791 1.078 8.321) 8.428 2.224 ( -2.790 -2.744 -0.218) 3.919 2.301 ( -4.920 3.629 -5.303) 8.093 2.852 ( -2.367 4.241 -2.122) 5.300 3.050 ( -8.801 -9.332 2.776) 13.124 4.225 ( -7.307 4.449 -0.628) 8.578 4.466 ( 1.041 3.138 2.012) 3.870 4.632 ( -9.683 4.088 1.538) 10.622 4.811 ( -5.521 -10.160 -0.283) 11.567 5.239 ( 12.708 -9.340 -3.691) 16.197 6.049 ( -6.844 10.719 0.236) 12.720 6.722 ( -4.568 1.655 -2.240) 5.350 6.804 ( 9.879 -5.643 2.122) 11.573 7.743 ( 4.279 5.586 -0.925) 7.097 8.104 ( 2.260 -1.655 1.707) 3.280 8.254 ( 0.726 4.546 -0.282) 4.612 11.336 ( -0.541 -9.909 0.005) 9.924 11.548 ( -2.675 -0.751 -0.084) 2.779 11.983 ( -0.213 -3.324 -0.430) 3.358 12.187 ( -3.465 2.653 -0.851) 4.447 12.359 ( 2.783 -1.959 1.393) 3.677 13.236 ( 5.283 10.824 -1.313) 12.116 14.167 ( -1.931 -0.405 0.144) 1.978 14.236 ( 3.115 0.564 -0.057) 3.166 17.602 ( 0.876 -0.571 -0.067) 1.048 18.420 ( -0.577 6.369 -0.074) 6.396 18.868 ( -2.345 -11.248 -0.629) 11.508 19.315 ( -0.539 4.625 1.293) 4.832 26.940 ( -5.637 -8.515 -0.428) 10.221 28.065 ( 1.341 1.642 0.578) 2.198 28.333 ( -2.946 4.189 1.115) 5.241 28.609 ( 0.734 -2.458 0.043) 2.566 28.978 ( 0.367 2.707 -0.724) 2.827 31.857 ( 0.512 1.171 -1.205) 1.756 35.350 ( -4.002 2.857 2.003) 5.309 35.554 ( 7.757 -2.780 -1.487) 8.373 ======================= Grid point 76 (63/294) ======================= q-point: ( 0.08 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( -2.907 1.890 -8.446) 9.130 2.224 ( 1.073 3.743 -0.299) 3.906 2.301 ( -4.571 0.896 2.946) 5.511 2.891 ( -1.206 -3.267 3.775) 5.136 3.035 ( 2.125 14.048 -0.371) 14.213 4.307 ( 0.770 1.849 1.472) 2.486 4.410 ( -7.670 -0.028 -1.818) 7.883 4.687 ( -4.662 6.972 -3.201) 8.977 4.737 ( -2.886 8.659 4.405) 10.134 5.193 ( 13.320 -6.184 -0.321) 14.689 6.133 ( -7.115 3.343 -0.466) 7.875 6.626 ( -3.872 -4.197 -2.019) 6.057 6.811 ( 4.268 -1.030 1.540) 4.652 7.848 ( 7.945 -4.999 -0.141) 9.388 7.986 ( -9.581 -3.677 0.110) 10.263 8.292 ( -0.305 -1.426 0.286) 1.486 11.318 ( 5.260 5.028 -0.151) 7.278 11.617 ( 7.660 2.515 0.322) 8.069 11.955 ( 0.014 2.260 -0.179) 2.267 12.204 ( -2.854 2.922 -1.910) 4.509 12.356 ( 3.394 -2.521 1.450) 4.469 13.178 ( -12.445 -9.309 0.246) 15.544 14.125 ( -2.510 0.846 0.241) 2.659 14.296 ( 4.508 -2.323 -0.153) 5.074 17.615 ( 2.266 -0.884 0.053) 2.433 18.488 ( -0.290 -5.954 -0.867) 6.024 18.765 ( -0.938 11.488 -0.249) 11.529 19.344 ( -1.116 -2.134 0.760) 2.525 26.943 ( 5.030 9.165 0.148) 10.456 28.030 ( -4.652 -1.299 -0.614) 4.869 28.362 ( -2.476 -0.581 0.636) 2.622 28.604 ( 2.292 0.470 0.711) 2.446 28.993 ( -0.517 -1.506 -0.719) 1.747 31.837 ( -2.549 0.065 -2.039) 3.265 35.377 ( -3.244 1.431 2.723) 4.470 35.534 ( 5.817 -5.241 -1.664) 8.005 ======================= Grid point 77 (64/294) ======================= q-point: ( 0.17 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( -7.238 7.102 -10.691) 14.735 2.211 ( -3.156 -2.006 3.859) 5.373 2.307 ( 0.930 7.269 -0.176) 7.330 2.839 ( -1.810 -3.319 3.333) 5.040 3.254 ( 1.329 20.674 1.632) 20.781 4.249 ( -12.153 5.680 -4.498) 14.149 4.359 ( 1.131 2.675 3.206) 4.326 4.499 ( -13.334 1.214 -2.021) 13.541 4.981 ( 8.249 16.868 1.725) 18.856 5.367 ( 12.985 -6.977 1.552) 14.822 5.917 ( -20.224 3.198 0.282) 20.477 6.582 ( 8.153 -10.766 -2.130) 13.672 6.924 ( 6.268 5.240 -1.600) 8.325 7.684 ( -15.944 -5.928 0.272) 17.013 7.973 ( 11.785 -8.622 0.957) 14.633 8.270 ( -0.363 -2.702 0.584) 2.788 11.455 ( 2.480 6.828 -0.248) 7.269 11.857 ( 13.956 4.300 0.372) 14.608 11.981 ( -0.743 3.849 -0.422) 3.943 12.177 ( -3.068 4.009 -2.228) 5.518 12.403 ( 4.712 -4.047 2.078) 6.550 12.795 ( -15.507 -13.004 0.354) 20.240 14.115 ( -0.096 1.152 0.109) 1.161 14.316 ( 1.350 -3.783 -0.330) 4.030 17.631 ( 3.099 -5.533 0.131) 6.343 18.472 ( 0.348 0.879 -0.586) 1.112 18.830 ( -3.167 10.683 -0.954) 11.184 19.300 ( -1.407 -2.700 1.084) 3.232 27.185 ( 7.385 15.020 0.229) 16.739 27.877 ( -10.713 -1.232 -0.822) 10.815 28.317 ( -1.469 -1.426 0.876) 2.227 28.654 ( 2.024 0.270 1.092) 2.316 28.961 ( 0.069 -3.058 -1.230) 3.297 31.781 ( -3.081 1.190 -3.541) 4.842 35.352 ( -1.749 0.318 4.037) 4.411 35.572 ( 6.254 -7.259 -2.162) 9.822 ======================= Grid point 78 (65/294) ======================= q-point: ( 0.25 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( -13.457 4.164 -9.538) 17.012 2.226 ( 2.506 1.512 1.506) 3.291 2.370 ( -3.002 6.529 0.228) 7.189 2.811 ( 1.182 -1.529 2.525) 3.180 3.432 ( -8.419 19.171 5.235) 21.583 4.096 ( -12.442 12.044 -2.639) 17.517 4.284 ( -6.335 -1.757 -7.718) 10.139 4.444 ( 2.381 4.597 3.242) 6.109 5.339 ( 9.203 19.883 1.905) 21.992 5.440 ( -5.367 -2.346 2.832) 6.506 5.613 ( -5.323 -7.543 0.494) 9.245 6.631 ( 8.077 -7.455 -2.317) 11.233 7.057 ( 0.352 2.133 -3.726) 4.308 7.414 ( -4.621 -1.530 0.877) 4.946 8.094 ( 10.946 -8.120 1.257) 13.687 8.220 ( -1.210 -5.125 1.089) 5.377 11.525 ( -1.188 5.165 -0.743) 5.352 11.925 ( -10.451 1.056 0.584) 10.521 12.070 ( 3.284 -0.107 -0.341) 3.304 12.182 ( -1.943 4.143 -2.094) 5.032 12.348 ( -2.438 -6.885 2.470) 7.710 12.668 ( 14.395 -1.949 0.143) 14.528 14.135 ( 0.683 1.371 -0.195) 1.544 14.275 ( -0.728 -4.239 -0.274) 4.310 17.630 ( 4.475 -6.969 0.020) 8.282 18.443 ( -6.236 2.927 0.135) 6.890 18.923 ( 2.542 10.621 -1.135) 10.979 19.236 ( -3.493 -3.149 0.861) 4.781 27.381 ( -6.822 9.568 -0.237) 11.753 27.737 ( -0.014 5.305 -0.147) 5.307 28.287 ( -0.808 -1.387 1.006) 1.895 28.667 ( -0.814 -0.700 0.540) 1.201 28.940 ( 1.993 -3.263 -1.064) 3.968 31.747 ( -1.463 2.729 -4.145) 5.174 35.350 ( 0.067 -0.878 4.550) 4.634 35.588 ( 5.103 -7.701 -2.376) 9.539 ======================= Grid point 79 (66/294) ======================= q-point: ( 0.33 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( -12.428 1.501 -10.009) 16.027 2.298 ( 2.766 1.835 0.866) 3.430 2.323 ( -7.036 2.735 0.035) 7.549 2.867 ( 3.569 1.426 1.147) 4.011 3.331 ( -20.063 11.929 5.655) 24.017 4.092 ( -4.189 13.632 -0.215) 14.263 4.204 ( 1.643 -1.839 -7.174) 7.586 4.574 ( 3.223 9.501 2.525) 10.346 5.142 ( -18.011 -2.258 1.086) 18.185 5.508 ( 0.587 -9.858 0.025) 9.876 5.768 ( 11.382 16.624 1.566) 20.208 6.693 ( 5.735 -2.690 -2.022) 6.649 6.932 ( -4.341 -7.904 1.002) 9.073 7.533 ( 8.185 7.503 -2.342) 11.348 8.127 ( -2.873 -4.754 0.580) 5.585 8.200 ( 8.577 -7.376 1.398) 11.398 11.516 ( -4.046 2.016 -0.912) 4.612 11.633 ( -14.669 -5.740 0.224) 15.753 12.065 ( -2.265 -0.455 -0.129) 2.314 12.177 ( -1.538 6.085 -1.100) 6.372 12.338 ( 2.213 -3.593 1.783) 4.582 13.014 ( 21.130 0.799 0.082) 21.145 14.154 ( -0.847 2.402 -0.182) 2.554 14.227 ( 0.751 -4.337 -0.301) 4.412 17.642 ( 2.929 -4.705 0.104) 5.543 18.370 ( -3.913 3.834 0.126) 5.479 19.066 ( -2.245 5.253 -1.752) 5.975 19.133 ( -0.394 -0.911 1.655) 1.930 27.174 ( -16.385 1.750 -0.680) 16.492 27.938 ( 8.339 7.406 0.821) 11.183 28.273 ( -0.548 1.365 1.077) 1.823 28.622 ( -2.445 -1.832 -0.432) 3.085 28.958 ( 2.814 -1.286 -0.631) 3.158 31.756 ( 0.324 3.144 -3.672) 4.845 35.362 ( 0.925 -1.436 3.953) 4.307 35.582 ( 3.418 -6.501 -2.114) 7.643 ======================= Grid point 80 (67/294) ======================= q-point: ( 0.42 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -7.136 0.207 -6.936) 9.953 2.219 ( -5.705 0.698 -0.218) 5.752 2.352 ( 1.524 0.801 0.257) 1.741 2.929 ( 0.834 1.546 -0.495) 1.825 3.146 ( -11.245 6.657 3.826) 13.616 4.150 ( -2.653 8.216 0.853) 8.676 4.229 ( 4.143 -1.040 -4.047) 5.884 4.729 ( 0.659 7.491 1.954) 7.769 4.857 ( -10.850 0.650 0.825) 10.901 5.369 ( -1.937 -11.537 -1.526) 11.797 6.088 ( 6.338 12.661 0.747) 14.178 6.762 ( 3.513 1.054 -1.888) 4.125 6.834 ( 0.855 -7.484 3.011) 8.112 7.720 ( 6.142 4.788 -1.758) 7.984 8.024 ( -3.431 -4.275 0.800) 5.539 8.265 ( 4.455 -3.034 -0.015) 5.390 11.334 ( -8.852 -3.900 -0.010) 9.673 11.507 ( -2.081 0.872 -0.674) 2.355 12.008 ( -2.814 -0.872 -0.034) 2.946 12.227 ( -0.789 7.565 -1.082) 7.683 12.328 ( 1.329 -5.707 1.718) 6.106 13.328 ( 13.154 -0.070 0.009) 13.154 14.159 ( -1.535 3.523 0.127) 3.845 14.212 ( 2.070 -4.088 -0.462) 4.605 17.623 ( -1.151 -1.683 0.213) 2.051 18.431 ( 6.246 4.209 0.004) 7.532 18.891 ( -11.138 -3.773 -0.419) 11.767 19.239 ( 3.331 3.735 0.398) 5.020 26.941 ( -10.299 0.634 -0.412) 10.327 28.072 ( 2.685 -0.277 0.717) 2.793 28.330 ( 2.150 5.427 1.159) 5.951 28.557 ( -2.275 -2.097 -0.928) 3.230 28.998 ( 2.029 0.389 -0.379) 2.100 31.785 ( 0.729 2.014 -2.161) 3.043 35.374 ( 0.744 -1.062 2.289) 2.631 35.568 ( 1.668 -3.737 -1.262) 4.283 ======================= Grid point 81 (68/294) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -0.000 0.000 0.000) 0.000 2.168 ( 0.000 0.000 0.000) 0.000 2.369 ( -0.000 0.000 0.000) 0.000 2.932 ( 0.000 0.000 0.000) 0.000 3.101 ( -0.000 0.000 0.000) 0.000 4.166 ( -0.000 0.000 0.000) 0.000 4.267 ( -0.000 0.000 0.000) 0.000 4.681 ( -0.000 0.000 0.000) 0.000 4.863 ( -0.000 0.000 -0.000) 0.000 5.273 ( -0.000 0.000 0.000) 0.000 6.212 ( 0.000 0.000 0.000) 0.000 6.805 ( 0.000 -0.000 0.000) 0.000 6.806 ( -0.000 0.000 -0.000) 0.000 7.807 ( 0.000 0.000 0.000) 0.000 7.959 ( -0.000 0.000 0.000) 0.000 8.289 ( -0.000 0.000 0.000) 0.000 11.234 ( -0.000 0.000 0.000) 0.000 11.493 ( -0.000 0.000 0.000) 0.000 11.975 ( 0.000 0.000 0.000) 0.000 12.281 ( -0.000 0.000 0.000) 0.000 12.289 ( 0.000 0.000 0.000) 0.000 13.444 ( -0.000 0.000 0.000) 0.000 14.169 ( 0.000 -0.000 0.000) 0.000 14.207 ( -0.000 0.000 0.000) 0.000 17.599 ( -0.000 0.000 0.000) 0.000 18.616 ( -0.000 -0.000 0.000) 0.000 18.669 ( 0.000 0.000 0.000) 0.000 19.289 ( 0.000 0.000 0.000) 0.000 26.851 ( -0.000 0.000 0.000) 0.000 28.086 ( 0.000 0.000 0.000) 0.000 28.396 ( -0.000 0.000 -0.000) 0.000 28.514 ( 0.000 0.000 0.000) 0.000 29.019 ( -0.000 0.000 0.000) 0.000 31.799 ( 0.000 0.000 0.000) 0.000 35.379 ( 0.000 0.000 0.000) 0.000 35.562 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 162 (69/294) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.228 ( -0.000 -0.000 23.156) 23.156 0.228 ( -0.000 -0.000 23.156) 23.156 0.242 ( -0.000 -0.000 24.849) 24.849 2.140 ( 0.000 0.000 -2.393) 2.393 2.140 ( 0.000 0.000 -2.393) 2.393 3.652 ( 0.000 0.000 -3.303) 3.303 3.936 ( 0.000 0.000 -3.344) 3.344 3.936 ( 0.000 0.000 -3.344) 3.344 4.082 ( -0.000 -0.000 2.947) 2.947 4.082 ( -0.000 -0.000 2.947) 2.947 6.648 ( 0.000 0.000 -1.685) 1.685 6.648 ( 0.000 0.000 -1.685) 1.685 7.061 ( -0.000 -0.000 0.519) 0.519 7.933 ( -0.000 -0.000 1.198) 1.198 7.933 ( -0.000 -0.000 1.198) 1.198 8.015 ( -0.000 -0.000 0.064) 0.064 11.441 ( -0.000 -0.000 0.058) 0.058 12.001 ( -0.000 -0.000 0.430) 0.430 12.001 ( -0.000 -0.000 0.430) 0.430 12.389 ( 0.000 0.000 -0.383) 0.383 12.389 ( 0.000 0.000 -0.383) 0.383 12.981 ( 0.000 0.000 -0.118) 0.118 14.502 ( -0.000 -0.000 0.047) 0.047 15.035 ( 0.000 0.000 -0.050) 0.050 18.052 ( 0.000 0.000 -0.056) 0.056 18.052 ( 0.000 0.000 -0.056) 0.056 18.167 ( -0.000 0.000 0.055) 0.055 18.167 ( -0.000 -0.000 0.055) 0.055 26.779 ( 0.000 0.000 -0.002) 0.002 26.779 ( 0.000 0.000 -0.002) 0.002 28.040 ( -0.000 -0.000 0.029) 0.029 28.040 ( -0.000 0.000 0.029) 0.029 29.089 ( 0.000 0.000 -0.118) 0.118 29.445 ( -0.000 -0.000 0.126) 0.126 36.791 ( -0.000 -0.000 0.184) 0.184 36.872 ( 0.000 0.000 -0.361) 0.361 ======================= Grid point 163 (70/294) ======================= q-point: ( 0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( 15.796 2.964 8.348) 18.110 0.707 ( 25.092 15.345 8.058) 30.496 1.129 ( 41.173 25.165 8.545) 49.006 2.158 ( 1.041 2.338 -2.304) 3.444 2.366 ( 12.219 5.383 -10.148) 16.771 2.814 ( -20.262 -10.237 21.490) 31.259 3.911 ( 2.097 -0.380 -3.381) 3.997 4.005 ( 4.143 5.251 -2.665) 7.200 4.192 ( 5.887 6.216 -0.301) 8.566 4.375 ( 10.966 2.098 3.667) 11.752 6.642 ( -2.816 3.107 -1.307) 4.392 6.762 ( 10.332 1.997 0.434) 10.532 6.952 ( -7.179 -4.463 -1.429) 8.573 7.688 ( -3.156 -5.285 4.421) 7.579 7.963 ( 2.234 1.355 1.407) 2.968 8.984 ( 9.810 6.984 -33.400) 35.504 11.435 ( -0.263 -0.119 0.013) 0.289 11.990 ( -2.166 0.302 0.132) 2.191 12.293 ( 1.977 -0.723 -9.144) 9.383 12.343 ( -2.411 2.708 -2.697) 4.519 12.446 ( 7.706 1.005 -4.731) 9.098 12.930 ( -3.934 -2.776 1.390) 5.011 14.492 ( -1.279 -0.912 0.556) 1.667 14.549 ( -14.687 -8.980 12.167) 21.080 18.000 ( -0.174 -7.171 0.215) 7.176 18.140 ( -3.519 14.787 0.174) 15.201 18.268 ( 9.052 4.453 0.275) 10.091 18.682 ( 15.748 2.955 -16.122) 22.730 26.778 ( 0.355 -0.314 -0.249) 0.535 26.935 ( 11.445 7.357 2.166) 13.777 28.048 ( 0.336 0.682 0.103) 0.767 28.803 ( 5.839 3.244 -15.399) 16.786 29.113 ( -2.056 -1.375 5.102) 5.670 30.601 ( 54.354 30.460 -94.353) 113.069 35.848 ( -34.710 -20.322 59.609) 71.910 36.714 ( -6.586 -3.777 -0.011) 7.592 ======================= Grid point 164 (71/294) ======================= q-point: ( 0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 20.353 7.838 -2.090) 21.910 1.314 ( 24.062 14.484 4.240) 28.403 2.027 ( 30.338 17.847 3.428) 35.365 2.210 ( 2.551 3.367 -1.594) 4.515 2.547 ( -5.057 -2.879 3.330) 6.705 2.652 ( 13.898 6.873 3.080) 15.808 3.976 ( 5.916 0.336 -2.290) 6.353 4.153 ( 5.366 8.476 -3.573) 10.649 4.375 ( 8.449 4.873 -1.278) 9.837 4.645 ( 13.622 6.213 5.039) 15.797 6.555 ( -10.523 -0.653 -0.973) 10.588 6.763 ( -7.265 -0.775 -1.025) 7.378 7.048 ( 17.960 2.057 2.430) 18.240 7.551 ( -6.407 -7.458 2.216) 10.079 8.041 ( 3.346 3.121 1.061) 4.697 8.903 ( -7.274 -3.319 -16.191) 18.058 11.443 ( 0.945 0.680 -0.085) 1.167 11.931 ( -4.157 0.197 -1.483) 4.418 12.150 ( -6.283 -7.898 -1.996) 10.288 12.346 ( -2.720 2.192 -0.847) 3.595 12.565 ( 5.732 -1.211 -1.533) 6.056 12.827 ( -3.937 -0.114 -0.614) 3.986 14.309 ( -7.837 -4.401 3.253) 9.559 14.480 ( -0.704 -0.535 -0.459) 0.996 17.914 ( -1.210 -7.972 0.825) 8.105 18.211 ( 0.164 7.333 -2.307) 7.689 18.492 ( 4.875 11.752 -1.089) 12.770 18.887 ( 11.992 0.104 -1.188) 12.051 26.784 ( 0.871 -0.336 -0.419) 1.024 27.296 ( 16.552 11.392 4.238) 20.536 28.062 ( 0.550 0.425 0.046) 0.697 28.819 ( 0.364 0.239 -4.944) 4.963 29.038 ( -4.424 -3.501 3.102) 6.439 31.177 ( 23.303 12.780 -50.559) 57.119 35.503 ( -12.292 -7.481 31.455) 34.590 36.500 ( -11.345 -6.446 -0.913) 13.080 ======================= Grid point 165 (72/294) ======================= q-point: ( 0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 22.331 10.311 -8.158) 25.914 1.817 ( 17.128 9.423 1.433) 19.602 2.314 ( 2.825 -2.861 1.823) 4.415 2.330 ( 1.652 8.163 1.331) 8.434 2.623 ( 10.456 5.080 2.437) 11.878 3.179 ( 27.726 14.030 4.062) 31.338 4.093 ( 7.000 1.295 -1.046) 7.195 4.317 ( 5.767 6.428 -4.149) 9.581 4.554 ( 5.477 5.870 0.316) 8.034 5.001 ( 17.241 8.503 2.660) 19.407 6.266 ( -16.108 -5.837 -1.697) 17.217 6.684 ( -3.727 1.983 0.328) 4.235 7.308 ( -1.981 -13.301 2.910) 13.760 7.445 ( 11.460 8.869 0.245) 14.493 8.138 ( 2.795 4.465 0.412) 5.283 8.627 ( -12.489 -7.592 -8.452) 16.883 11.467 ( -0.003 1.043 0.071) 1.045 11.859 ( -5.146 1.671 -2.210) 5.845 11.949 ( -3.246 -10.961 -2.090) 11.621 12.261 ( -7.002 -1.347 0.688) 7.164 12.561 ( -0.826 -5.323 2.643) 6.001 12.885 ( 5.014 8.759 -2.803) 10.475 14.183 ( -4.407 -1.684 1.069) 4.837 14.457 ( -0.816 -1.322 -0.525) 1.640 17.806 ( -2.831 -6.665 0.752) 7.280 18.291 ( 5.065 1.322 -2.865) 5.968 18.636 ( -0.939 11.572 -2.222) 11.821 19.099 ( 10.337 1.136 3.394) 10.939 26.799 ( 1.294 -0.168 -0.470) 1.387 27.714 ( 14.485 12.935 4.504) 19.935 28.076 ( 1.664 -1.229 0.083) 2.071 28.799 ( -2.376 -0.975 1.419) 2.934 28.945 ( -1.247 -2.776 -2.747) 4.099 31.472 ( 14.127 8.012 -26.419) 31.012 35.380 ( -5.511 -3.572 17.235) 18.444 36.206 ( -13.210 -7.426 -1.938) 15.278 ======================= Grid point 166 (73/294) ======================= q-point: ( 0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 19.971 10.157 -12.134) 25.480 2.074 ( 6.418 3.226 -0.846) 7.233 2.274 ( -1.550 -1.046 3.533) 3.998 2.575 ( 12.267 6.399 2.520) 14.063 2.833 ( 6.315 4.817 3.779) 8.796 3.769 ( 23.602 9.734 2.012) 25.610 4.235 ( 6.821 3.481 0.236) 7.662 4.450 ( 5.327 3.756 -3.695) 7.492 4.661 ( -0.486 5.250 1.546) 5.494 5.393 ( 14.731 6.203 0.848) 16.006 5.936 ( -11.867 -4.051 -1.868) 12.678 6.657 ( -0.921 0.201 0.164) 0.957 7.076 ( -9.202 -7.239 1.125) 11.762 7.768 ( 12.525 5.881 0.172) 13.838 8.218 ( 0.664 4.526 0.250) 4.581 8.295 ( -12.114 -9.837 -2.951) 15.882 11.434 ( -5.178 0.566 -0.192) 5.213 11.693 ( -4.365 -10.872 -0.265) 11.719 11.916 ( 2.166 1.831 -2.564) 3.823 12.137 ( -4.189 -0.984 -0.349) 4.317 12.497 ( -2.664 -3.129 2.399) 4.758 13.082 ( 6.764 9.206 -1.060) 11.473 14.120 ( -2.073 -0.065 0.454) 2.124 14.413 ( -1.866 -3.021 -0.396) 3.573 17.698 ( -2.967 -4.593 0.475) 5.489 18.393 ( 8.158 -2.584 -2.083) 8.808 18.692 ( -4.269 10.226 -1.445) 11.175 19.265 ( 6.204 0.863 2.707) 6.824 26.821 ( 1.351 0.019 -0.392) 1.407 28.019 ( 0.831 12.286 1.270) 12.379 28.135 ( 10.772 -3.212 2.231) 11.460 28.717 ( -4.677 -2.576 1.724) 5.611 28.940 ( 2.758 -0.530 -3.219) 4.272 31.673 ( 8.720 5.207 -12.626) 16.203 35.338 ( -1.577 -1.244 9.532) 9.741 35.901 ( -12.323 -6.859 -2.485) 14.321 ======================= Grid point 167 (74/294) ======================= q-point: ( 0.50 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 10.573 6.789 -15.171) 19.699 2.163 ( 2.565 1.090 -0.953) 2.946 2.284 ( 2.100 0.121 4.826) 5.265 2.817 ( 9.035 1.280 1.557) 9.257 2.955 ( 0.648 4.151 4.597) 6.227 4.167 ( 13.731 1.830 -0.298) 13.856 4.408 ( 6.236 6.649 -1.012) 9.171 4.565 ( 4.583 1.795 -1.444) 5.129 4.677 ( -0.163 4.849 2.700) 5.553 5.354 ( -14.080 -7.591 -0.347) 16.000 6.001 ( 12.778 5.177 -0.339) 13.791 6.650 ( 0.230 0.580 -0.708) 0.944 6.897 ( -6.728 -1.576 2.000) 7.194 7.890 ( -2.197 -6.301 -1.950) 6.952 8.076 ( -3.034 3.048 1.275) 4.486 8.274 ( 2.354 0.642 -0.563) 2.503 11.310 ( -6.279 -2.263 -0.286) 6.681 11.568 ( -0.543 -5.551 -0.260) 5.583 11.946 ( -0.636 1.361 -0.378) 1.549 12.137 ( 3.798 1.620 -1.466) 4.382 12.416 ( -4.264 -2.275 1.706) 5.125 13.267 ( 4.739 6.296 0.300) 7.886 14.119 ( 0.832 1.959 0.179) 2.136 14.326 ( -3.328 -4.675 -0.330) 5.748 17.622 ( -1.845 -2.202 0.271) 2.885 18.501 ( 8.499 -4.384 -0.850) 9.600 18.691 ( -5.842 8.158 -0.556) 10.050 19.349 ( 2.403 0.053 0.888) 2.562 26.841 ( 0.928 0.055 -0.214) 0.954 28.067 ( -0.819 3.088 -0.010) 3.195 28.321 ( 6.876 2.051 1.901) 7.422 28.622 ( -3.447 -2.000 0.008) 3.985 28.981 ( 2.492 0.005 -1.291) 2.807 31.800 ( 4.574 2.796 -4.952) 7.298 35.362 ( 1.799 0.801 4.939) 5.317 35.639 ( -9.451 -5.225 -2.305) 11.042 ======================= Grid point 168 (75/294) ======================= q-point: (-0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 1.887 2.858 -11.709) 12.199 2.190 ( 0.416 0.038 -0.764) 0.871 2.338 ( 0.493 -1.347 2.002) 2.463 2.909 ( 2.863 -3.443 -0.554) 4.512 2.962 ( -5.221 2.165 3.902) 6.868 4.282 ( -0.362 -0.795 -1.056) 1.371 4.484 ( 0.752 -2.137 -4.843) 5.346 4.596 ( 0.733 4.038 2.311) 4.710 4.814 ( -4.128 -3.110 -0.356) 5.180 5.106 ( 3.464 1.700 4.026) 5.576 6.164 ( 0.061 0.409 0.564) 0.699 6.709 ( 2.526 3.039 -0.309) 3.964 6.787 ( -2.912 -2.911 1.705) 4.456 7.795 ( 0.592 0.208 0.067) 0.631 8.084 ( -0.884 -0.163 -0.986) 1.335 8.303 ( 0.371 -0.247 -0.763) 0.884 11.235 ( 0.107 0.090 -0.001) 0.140 11.537 ( 0.108 -0.319 -0.717) 0.792 11.945 ( 0.179 0.172 0.467) 0.529 12.221 ( 1.343 1.290 0.460) 1.918 12.333 ( -1.519 -1.002 -0.270) 1.840 13.349 ( 0.315 0.147 1.388) 1.431 14.166 ( -0.161 -0.208 0.039) 0.266 14.239 ( 0.194 0.032 -0.418) 0.461 17.594 ( -0.139 0.025 0.075) 0.160 18.571 ( 0.188 0.956 0.605) 1.147 18.670 ( 0.479 -0.322 -0.039) 0.578 19.361 ( -0.673 -0.543 -0.997) 1.319 26.850 ( 0.187 -0.074 0.017) 0.202 28.076 ( -0.165 0.345 0.117) 0.400 28.389 ( -1.058 -0.369 -0.098) 1.125 28.575 ( 0.236 -0.434 -0.635) 0.804 29.008 ( 0.497 0.357 0.122) 0.624 31.861 ( 1.575 0.844 -0.872) 1.988 35.399 ( -3.080 -1.699 -0.499) 3.553 35.510 ( 2.327 1.271 0.964) 2.821 ======================= Grid point 169 (76/294) ======================= q-point: (-0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( -4.518 -0.525 -12.704) 13.494 2.175 ( -1.587 -1.126 0.538) 2.019 2.257 ( -4.613 -4.364 5.672) 8.515 2.815 ( -9.951 -4.089 0.667) 10.779 2.885 ( -2.700 -2.811 -0.970) 4.017 4.149 ( -12.489 -2.646 -2.294) 12.971 4.377 ( -7.877 -8.266 -2.361) 11.660 4.569 ( -5.358 -5.057 -2.719) 7.853 4.670 ( 2.077 0.897 2.821) 3.616 5.407 ( 13.214 6.862 4.384) 15.522 6.019 ( -12.466 -4.154 1.250) 13.199 6.680 ( -1.787 -0.617 2.118) 2.839 6.861 ( 7.283 1.679 -1.348) 7.595 7.909 ( 1.019 4.638 -0.269) 4.756 8.043 ( 4.333 -1.556 -1.739) 4.921 8.282 ( -1.340 -0.772 0.274) 1.571 11.314 ( 6.353 2.413 0.146) 6.797 11.562 ( 0.966 4.970 -0.775) 5.122 11.961 ( 1.359 -0.646 1.010) 1.812 12.165 ( -4.331 -1.502 1.153) 4.727 12.383 ( 3.713 2.283 -1.351) 4.563 13.290 ( -3.869 -6.162 2.536) 7.705 14.113 ( -1.019 -2.103 -0.418) 2.374 14.328 ( 3.522 4.685 -0.166) 5.863 17.618 ( 1.709 2.068 -0.048) 2.683 18.526 ( -8.461 6.083 1.432) 10.519 18.706 ( 7.108 -8.366 0.997) 11.023 19.307 ( -3.908 -1.160 -3.144) 5.148 26.846 ( -0.581 -0.216 0.246) 0.666 28.068 ( 0.395 -2.745 0.013) 2.774 28.283 ( -8.399 -2.270 -1.655) 8.856 28.611 ( 3.073 1.068 -1.028) 3.412 29.006 ( -1.292 0.498 1.083) 1.758 31.872 ( -0.418 -0.524 1.747) 1.871 35.294 ( -3.850 -2.111 -1.582) 4.666 35.672 ( 9.408 5.317 0.979) 10.850 ======================= Grid point 170 (77/294) ======================= q-point: (-0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -17.902 -9.793 -4.649) 20.929 2.104 ( -5.753 -3.386 2.034) 6.978 2.238 ( 1.701 0.559 0.855) 1.984 2.540 ( -13.518 -6.947 -0.984) 15.230 2.779 ( -5.375 -3.823 -1.023) 6.675 3.737 ( -25.029 -11.160 -1.054) 27.424 4.177 ( -5.164 -3.907 -4.888) 8.114 4.467 ( -2.455 -5.256 -2.225) 6.213 4.685 ( -1.744 -1.335 3.741) 4.338 5.416 ( -16.755 -7.143 2.848) 18.435 5.972 ( 11.788 4.539 1.437) 12.714 6.660 ( -0.964 0.292 0.480) 1.116 7.052 ( 9.538 6.891 -1.024) 11.811 7.721 ( -12.625 -7.193 -4.057) 15.086 8.218 ( 1.565 -5.457 0.342) 5.687 8.362 ( 13.093 12.048 3.052) 18.052 11.435 ( 4.830 -0.622 -0.119) 4.871 11.697 ( 5.432 11.085 0.030) 12.345 11.958 ( -1.470 -1.318 1.378) 2.408 12.138 ( 3.058 0.496 -0.368) 3.119 12.457 ( 1.892 3.312 -1.225) 4.006 13.135 ( -5.291 -9.321 3.933) 11.417 14.108 ( 1.760 0.062 -0.706) 1.898 14.418 ( 2.084 3.244 0.092) 3.857 17.692 ( 2.999 4.104 -0.111) 5.084 18.433 ( -8.140 3.738 1.641) 9.107 18.733 ( 5.311 -9.543 2.631) 11.234 19.177 ( -7.784 -1.722 -5.827) 9.875 26.829 ( -1.082 -0.214 0.419) 1.180 27.977 ( -5.837 -13.215 -2.516) 14.664 28.111 ( -7.612 4.636 -0.218) 8.915 28.683 ( 3.819 1.887 -1.604) 4.552 28.989 ( -1.276 0.329 1.578) 2.056 31.851 ( -1.834 -1.406 3.575) 4.257 35.223 ( -2.082 -1.148 -1.157) 2.644 35.926 ( 12.193 6.978 0.200) 14.050 ======================= Grid point 171 (78/294) ======================= q-point: (-0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -21.692 -12.359 -2.775) 25.120 1.837 ( -18.633 -11.383 3.496) 22.113 2.296 ( -6.446 -2.817 -2.437) 7.445 2.304 ( 3.913 1.110 1.639) 4.385 2.602 ( -10.706 -6.201 0.693) 12.392 3.111 ( -28.559 -14.867 -2.671) 32.308 4.062 ( -4.598 -0.188 -4.023) 6.113 4.338 ( -3.804 -7.975 -1.748) 9.007 4.605 ( -6.591 -2.716 4.808) 8.599 4.985 ( -19.771 -10.138 1.037) 22.243 6.294 ( 15.359 6.173 0.768) 16.571 6.667 ( 1.874 0.315 -1.176) 2.235 7.247 ( -3.784 8.924 -2.905) 10.119 7.417 ( -3.967 -7.725 -2.103) 8.935 8.143 ( -2.395 -6.010 0.944) 6.538 8.751 ( 15.177 10.356 3.159) 18.643 11.467 ( 0.279 -1.045 0.073) 1.084 11.893 ( 5.290 -0.423 0.984) 5.398 11.967 ( 2.760 9.873 -0.664) 10.273 12.255 ( 7.188 2.240 0.122) 7.530 12.511 ( 0.298 4.860 -1.893) 5.224 12.974 ( -3.493 -9.213 5.315) 11.195 14.165 ( 4.061 1.634 -0.565) 4.414 14.468 ( 0.915 1.595 0.442) 1.891 17.796 ( 2.911 6.111 -0.138) 6.771 18.332 ( -5.570 -0.913 0.873) 5.712 18.701 ( 0.102 -10.081 4.550) 11.061 18.978 ( -9.508 -1.023 -8.485) 12.785 26.809 ( -1.145 -0.074 0.488) 1.247 27.631 ( -15.305 -12.542 -3.362) 20.071 28.076 ( -2.118 1.943 0.123) 2.876 28.767 ( 3.961 2.237 -1.752) 4.875 28.988 ( 0.307 0.436 1.463) 1.558 31.802 ( -3.015 -2.026 2.151) 4.221 35.188 ( -0.965 -0.569 1.005) 1.505 36.222 ( 12.960 7.473 -0.252) 14.962 ======================= Grid point 172 (79/294) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( -20.910 -11.985 -2.272) 24.208 1.311 ( -25.402 -16.273 3.905) 30.419 2.035 ( -36.201 -20.308 4.079) 41.708 2.203 ( -2.505 -1.039 -2.277) 3.541 2.443 ( 4.325 2.136 -1.269) 4.988 2.659 ( -9.109 -4.589 -0.549) 10.214 3.983 ( -4.402 2.138 -1.842) 5.229 4.177 ( -3.881 -9.082 -0.806) 9.909 4.434 ( -10.910 -3.956 3.723) 12.188 4.586 ( -14.199 -8.635 -0.130) 16.619 6.560 ( 8.467 1.103 -0.619) 8.561 6.754 ( 7.124 5.261 -1.883) 9.054 6.983 ( -15.074 -3.738 -3.149) 15.846 7.533 ( 7.535 3.446 0.174) 8.287 8.039 ( -3.362 -4.521 0.920) 5.709 9.076 ( 10.697 6.819 -0.511) 12.696 11.446 ( -0.992 -0.707 0.218) 1.237 11.943 ( 3.115 -0.217 -0.628) 3.185 12.164 ( 6.515 8.107 -0.539) 10.414 12.371 ( 3.316 0.369 1.372) 3.608 12.546 ( -1.133 3.472 -3.237) 4.880 12.897 ( 1.377 -4.379 4.842) 6.672 14.284 ( 6.672 3.313 1.211) 7.547 14.491 ( 0.452 0.659 0.702) 1.064 17.907 ( 1.436 8.025 0.125) 8.154 18.226 ( -1.895 -7.430 -1.155) 7.754 18.520 ( -11.781 -6.292 1.554) 13.447 18.836 ( -2.544 -1.578 -6.162) 6.851 26.793 ( -0.854 0.043 0.423) 0.954 27.221 ( -15.944 -10.600 -2.675) 19.332 28.060 ( -1.202 0.501 -0.085) 1.305 28.847 ( 3.329 1.977 -2.580) 4.653 29.021 ( 2.005 0.952 1.841) 2.884 31.701 ( -4.932 -3.164 -13.214) 14.455 35.194 ( 0.498 0.189 11.814) 11.826 36.505 ( 11.087 6.420 -0.316) 12.816 ======================= Grid point 175 (80/294) ======================= q-point: ( 0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( -3.150 12.242 8.906) 15.463 0.789 ( -2.369 29.023 11.927) 31.467 1.155 ( 2.283 48.506 9.512) 49.483 2.123 ( 1.739 1.013 -4.422) 4.858 2.330 ( -1.564 11.822 -7.441) 14.056 2.877 ( 1.287 -24.590 17.169) 30.018 3.920 ( 3.184 0.796 -3.672) 4.925 4.025 ( -4.089 6.475 -1.635) 7.831 4.205 ( 6.482 10.686 2.198) 12.690 4.352 ( -5.725 10.416 1.507) 11.981 6.615 ( 0.961 -1.915 -2.117) 3.013 6.716 ( -0.065 7.288 -2.051) 7.571 6.946 ( -0.350 -8.961 -1.216) 9.050 7.697 ( -2.663 -6.068 4.478) 7.998 7.971 ( -0.927 2.982 1.861) 3.635 8.925 ( 1.505 19.150 -31.103) 36.557 11.436 ( 0.029 -0.114 0.072) 0.138 11.979 ( 0.660 -2.200 -0.799) 2.432 12.299 ( 4.167 0.947 -6.082) 7.433 12.349 ( -0.655 6.481 -5.644) 8.619 12.410 ( -3.435 2.511 -1.189) 4.418 12.954 ( -0.871 -2.074 0.519) 2.308 14.489 ( -0.120 -2.096 0.477) 2.153 14.625 ( -0.734 -17.519 12.152) 21.334 18.011 ( 9.913 -4.025 0.874) 10.735 18.079 ( -6.562 4.507 -2.752) 8.423 18.276 ( 6.061 9.809 0.522) 11.542 18.604 ( -6.537 14.161 -15.012) 21.648 26.785 ( -0.026 0.456 0.135) 0.476 26.892 ( 0.065 11.117 0.305) 11.121 28.045 ( 0.728 0.549 -0.033) 0.912 28.749 ( -0.236 9.813 -16.286) 19.015 29.128 ( -0.161 -1.866 4.604) 4.970 30.365 ( -0.863 66.527 -77.058) 101.806 36.032 ( -0.261 -41.147 49.169) 64.115 36.713 ( 0.028 -7.799 -0.079) 7.800 ======================= Grid point 176 (81/294) ======================= q-point: ( 0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 9.945 15.089 -1.769) 18.158 1.222 ( 12.695 27.009 7.850) 30.859 1.861 ( 19.067 37.296 6.684) 42.417 2.188 ( 4.025 2.546 -2.245) 5.265 2.472 ( 7.859 9.766 -5.384) 13.643 2.669 ( -6.219 -11.386 9.068) 15.829 3.966 ( -2.067 5.868 -3.826) 7.304 4.055 ( 7.190 2.262 -2.615) 7.978 4.421 ( 1.053 13.918 1.775) 14.070 4.522 ( 10.813 10.872 3.753) 15.786 6.659 ( 5.619 -3.397 -0.139) 6.568 6.753 ( -6.442 -8.998 -1.037) 11.115 6.875 ( 5.156 8.846 -2.307) 10.496 7.597 ( -3.428 -5.885 1.092) 6.897 7.997 ( 1.646 1.485 1.702) 2.795 8.940 ( -3.809 1.571 -17.477) 17.956 11.441 ( 0.293 0.868 0.029) 0.917 11.937 ( -0.630 -4.761 -1.972) 5.192 12.238 ( -6.540 -3.700 -0.384) 7.524 12.401 ( 0.214 0.197 0.669) 0.729 12.458 ( 4.356 7.223 -6.583) 10.700 12.858 ( -4.921 -5.334 1.606) 7.433 14.379 ( -5.857 -10.090 4.603) 12.542 14.493 ( -2.208 -0.943 0.389) 2.432 17.942 ( -6.275 -0.074 -0.228) 6.279 18.250 ( 6.999 -0.499 -0.032) 7.016 18.506 ( 7.277 14.555 5.067) 17.044 18.657 ( 7.481 3.447 -12.294) 14.799 26.823 ( 0.040 3.753 -0.726) 3.823 27.109 ( 12.309 9.732 2.639) 15.912 28.080 ( 0.985 2.436 0.531) 2.681 28.781 ( 1.620 1.391 -7.698) 7.989 29.080 ( -3.234 -4.896 4.095) 7.156 30.855 ( 16.393 35.217 -56.614) 68.660 35.716 ( -11.741 -18.596 35.376) 41.655 36.564 ( -5.940 -10.590 -0.917) 12.177 ======================= Grid point 177 (82/294) ======================= q-point: ( 0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 16.285 14.925 -9.204) 23.930 1.717 ( 12.277 20.554 4.525) 24.365 2.256 ( 3.176 2.598 1.328) 4.313 2.428 ( 4.005 14.610 0.739) 15.167 2.541 ( 2.877 3.163 2.156) 4.789 2.871 ( 23.754 14.242 3.817) 27.958 4.022 ( 3.264 5.468 -3.947) 7.492 4.207 ( 8.570 1.238 -3.453) 9.322 4.616 ( 2.919 15.608 2.841) 16.131 4.844 ( 12.181 10.817 2.962) 16.558 6.456 ( -13.627 -8.763 -1.474) 16.268 6.708 ( 2.421 -5.707 1.156) 6.306 7.104 ( 9.985 5.915 0.242) 11.608 7.473 ( -4.185 -2.213 -1.948) 5.119 8.079 ( 5.702 0.592 1.227) 5.862 8.746 ( -10.545 -4.711 -9.221) 14.779 11.468 ( 1.236 1.525 0.008) 1.963 11.869 ( -0.323 -4.934 -3.091) 5.831 12.051 ( -11.626 -0.040 -0.803) 11.654 12.368 ( -5.488 -1.140 1.256) 5.744 12.523 ( 0.178 -1.559 0.214) 1.584 12.799 ( 5.991 -2.771 -0.788) 6.647 14.234 ( -3.548 -4.343 1.478) 5.799 14.452 ( -1.409 -1.811 -0.374) 2.325 17.840 ( -5.364 -0.577 0.069) 5.396 18.273 ( -1.117 1.377 -1.465) 2.300 18.740 ( 2.142 10.993 -3.337) 11.686 18.877 ( 15.814 0.934 2.158) 15.987 26.851 ( -2.298 6.779 -0.777) 7.200 27.480 ( 19.341 4.179 3.650) 20.121 28.121 ( -1.156 5.323 0.897) 5.520 28.797 ( 1.335 -0.259 -1.812) 2.266 28.963 ( -4.639 -4.322 -0.177) 6.343 31.242 ( 14.320 18.676 -33.478) 40.922 35.508 ( -7.903 -8.384 21.908) 24.753 36.307 ( -9.671 -11.397 -2.115) 15.096 ======================= Grid point 178 (83/294) ======================= q-point: ( 0.42 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 19.182 12.650 -13.306) 26.552 2.037 ( 5.421 10.597 0.808) 11.930 2.278 ( -0.464 -2.776 4.186) 5.044 2.563 ( 3.382 13.189 1.254) 13.673 2.780 ( 8.461 9.601 3.137) 13.177 3.465 ( 24.182 12.491 2.680) 27.349 4.147 ( 6.562 4.457 -4.668) 9.204 4.353 ( 7.495 2.021 -1.750) 7.957 4.810 ( -1.452 15.519 3.690) 16.018 5.187 ( 15.533 7.893 1.292) 17.471 6.109 ( -14.672 -8.873 -1.592) 17.220 6.664 ( -0.894 -4.285 1.004) 4.491 7.167 ( -6.128 -0.777 0.699) 6.217 7.538 ( 13.414 -0.107 -3.752) 13.929 8.184 ( 4.241 -0.084 1.017) 4.362 8.458 ( -13.057 -5.287 -2.673) 14.338 11.500 ( 0.477 1.166 0.039) 1.260 11.744 ( -9.983 -4.637 -1.541) 11.115 11.922 ( -2.213 4.531 -2.038) 5.439 12.218 ( -7.073 -3.298 0.449) 7.817 12.499 ( -0.289 -2.887 2.012) 3.531 12.952 ( 11.738 -1.168 -0.586) 11.810 14.163 ( -2.352 -0.820 0.407) 2.523 14.399 ( -1.462 -3.763 -0.430) 4.060 17.740 ( -5.059 -1.019 0.172) 5.163 18.281 ( 2.105 -0.044 -1.297) 2.473 18.842 ( -0.832 9.500 -2.496) 9.857 19.126 ( 10.593 0.067 2.655) 10.920 26.879 ( -2.864 8.169 -0.682) 8.683 27.840 ( 18.506 -2.264 2.766) 18.848 28.156 ( -2.386 8.046 1.167) 8.473 28.772 ( -3.591 -3.225 2.609) 5.487 28.889 ( 0.873 0.195 -4.379) 4.469 31.523 ( 10.818 10.176 -17.312) 22.810 35.400 ( -4.077 -3.973 12.917) 14.116 36.008 ( -10.620 -10.296 -2.915) 15.076 ======================= Grid point 179 (84/294) ======================= q-point: ( 0.50 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 16.418 9.158 -16.338) 24.907 2.168 ( 1.074 6.318 -0.521) 6.430 2.265 ( 0.668 -2.029 4.616) 5.086 2.756 ( 4.694 6.778 3.194) 8.842 3.004 ( 2.979 11.707 3.586) 12.601 3.931 ( 17.136 6.843 -0.508) 18.459 4.309 ( 9.099 3.732 -4.291) 10.730 4.500 ( 6.470 3.591 1.409) 7.532 4.866 ( -8.773 11.810 2.193) 14.874 5.450 ( 1.234 -1.072 1.079) 1.958 5.859 ( 1.448 -3.029 -1.130) 3.542 6.636 ( 1.025 -0.585 0.096) 1.184 7.024 ( -8.759 -0.314 1.317) 8.863 7.721 ( 10.730 -9.174 -4.768) 14.900 8.160 ( -4.669 -1.368 1.276) 5.030 8.280 ( -2.890 -0.756 1.030) 3.160 11.486 ( -11.436 4.928 -0.205) 12.454 11.527 ( -1.291 -3.963 -0.782) 4.241 11.975 ( 0.972 4.253 -0.873) 4.449 12.115 ( -1.174 -0.487 -0.639) 1.422 12.457 ( -2.316 -2.480 1.580) 3.743 13.135 ( 11.398 -4.079 0.601) 12.121 14.138 ( -0.734 1.635 -0.001) 1.792 14.319 ( -2.295 -5.305 -0.462) 5.799 17.654 ( -3.456 -1.176 0.412) 3.673 18.337 ( 5.109 -1.159 -0.563) 5.268 18.885 ( -4.635 9.429 -0.984) 10.553 19.265 ( 6.231 -1.990 0.764) 6.585 26.909 ( -3.371 8.853 -0.518) 9.487 28.045 ( 7.453 -4.068 0.971) 8.547 28.240 ( 3.653 6.071 1.613) 7.266 28.673 ( -4.305 -1.808 -0.111) 4.671 28.922 ( 2.904 -0.017 -1.477) 3.258 31.711 ( 7.028 4.639 -7.620) 11.357 35.367 ( -0.412 -1.220 7.102) 7.218 35.730 ( -9.301 -7.986 -2.864) 12.589 ======================= Grid point 180 (85/294) ======================= q-point: ( 0.58 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 7.061 4.321 -16.992) 18.902 2.221 ( -1.095 4.882 -0.155) 5.006 2.296 ( 2.820 -1.412 3.400) 4.638 2.860 ( 2.155 0.076 2.513) 3.312 3.116 ( -4.705 10.530 3.385) 12.019 4.187 ( 8.888 1.466 -2.676) 9.398 4.446 ( 1.968 0.901 -4.061) 4.602 4.687 ( 7.097 6.769 3.221) 10.322 4.812 ( -5.945 6.153 0.597) 8.577 5.221 ( -13.670 -4.653 1.765) 14.548 6.060 ( 12.728 1.664 0.858) 12.865 6.687 ( 3.350 1.255 -0.893) 3.687 6.853 ( -9.168 -4.522 2.378) 10.495 7.721 ( 4.827 -5.794 -1.218) 7.639 8.124 ( -3.701 -0.917 -0.053) 3.814 8.242 ( 2.700 -3.623 -0.612) 4.559 11.335 ( -8.253 5.725 -0.050) 10.044 11.534 ( 0.798 2.161 -1.169) 2.583 11.982 ( -2.372 2.079 0.380) 3.177 12.180 ( 4.970 3.147 0.084) 5.883 12.377 ( -4.236 -2.450 0.450) 4.914 13.237 ( 7.272 -9.802 1.389) 12.284 14.169 ( 0.459 1.754 0.026) 1.813 14.228 ( -0.901 -3.045 -0.685) 3.248 17.607 ( -0.960 -0.546 0.461) 1.197 18.422 ( 6.290 -1.946 0.221) 6.588 18.861 ( -8.007 8.151 -0.041) 11.426 19.320 ( 3.114 -2.849 -0.803) 4.296 26.933 ( -4.194 9.043 -0.277) 9.972 28.077 ( 0.438 -1.548 0.585) 1.712 28.353 ( 4.061 -0.518 0.735) 4.160 28.596 ( -2.967 0.090 -1.284) 3.234 28.969 ( 3.144 -0.910 -0.050) 3.273 31.816 ( 3.792 1.059 -2.618) 4.728 35.401 ( 1.835 0.191 2.835) 3.382 35.523 ( -5.184 -4.585 -1.507) 7.083 ======================= Grid point 181 (86/294) ======================= q-point: (-0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 1.106 0.485 -14.707) 14.756 2.229 ( -2.931 3.574 0.388) 4.638 2.297 ( -2.201 -3.311 2.083) 4.489 2.859 ( -0.805 -2.783 0.641) 2.968 3.065 ( -12.475 7.167 2.496) 14.602 4.266 ( -1.209 0.374 -2.319) 2.642 4.386 ( -3.125 -2.929 -4.441) 6.169 4.638 ( -13.653 -9.893 -2.383) 17.028 4.780 ( -4.143 9.299 3.640) 10.812 5.254 ( 12.586 7.582 4.955) 15.506 6.154 ( -5.993 -4.159 1.570) 7.461 6.664 ( 3.842 -6.914 1.454) 8.042 6.791 ( 0.357 4.889 -0.085) 4.902 7.856 ( 10.013 4.783 0.680) 11.117 7.977 ( -4.247 -9.944 -1.003) 10.859 8.266 ( 1.834 -1.912 -1.974) 3.304 11.322 ( -1.645 7.223 0.197) 7.411 11.597 ( 1.869 7.488 -1.512) 7.864 11.968 ( -1.409 1.475 0.971) 2.259 12.239 ( -4.650 -1.096 1.320) 4.956 12.332 ( 4.111 2.052 -0.724) 4.651 13.195 ( 2.438 -15.815 1.841) 16.107 14.120 ( -2.095 -1.762 -0.208) 2.745 14.294 ( 4.468 2.944 -0.380) 5.365 17.616 ( 1.548 1.362 0.122) 2.065 18.509 ( 6.047 -2.962 1.073) 6.818 18.774 ( -9.950 5.687 0.647) 11.479 19.314 ( -0.133 -2.695 -2.135) 3.440 26.942 ( -5.100 8.917 -0.002) 10.272 28.041 ( -1.626 -4.557 0.328) 4.849 28.352 ( -2.097 -2.558 -0.301) 3.321 28.583 ( 0.898 1.797 -1.334) 2.411 29.005 ( 1.697 -0.910 0.403) 1.968 31.857 ( 1.570 -0.822 -0.277) 1.794 35.338 ( -4.398 -2.840 -1.067) 5.344 35.563 ( 7.636 2.465 1.266) 8.124 ======================= Grid point 182 (87/294) ======================= q-point: (-0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -9.905 -4.852 -12.140) 16.402 2.189 ( -4.783 0.671 1.800) 5.155 2.219 ( -1.729 -1.796 2.249) 3.357 2.789 ( -6.098 -0.738 -0.590) 6.171 2.858 ( -15.812 2.339 1.333) 16.040 4.038 ( -21.548 -9.491 -1.118) 23.572 4.238 ( -6.158 -1.329 -3.101) 7.022 4.422 ( -1.146 -4.494 -5.400) 7.118 4.797 ( -5.145 6.769 4.546) 9.641 5.541 ( 3.006 2.135 4.341) 5.696 5.888 ( -4.947 -8.073 1.971) 9.671 6.696 ( -2.166 -0.035 1.654) 2.726 6.943 ( 11.085 8.340 -1.558) 13.960 7.769 ( -5.117 -12.250 -1.832) 13.402 8.111 ( 7.812 2.315 0.245) 8.152 8.285 ( 5.610 2.639 -0.500) 6.220 11.386 ( 1.798 3.897 -0.085) 4.293 11.748 ( 3.183 12.849 -0.662) 13.254 11.973 ( 0.165 1.422 1.025) 1.761 12.134 ( -3.623 -1.712 -0.440) 4.031 12.440 ( 3.944 3.639 0.388) 5.381 13.042 ( 0.049 -18.865 2.252) 18.999 14.095 ( -0.017 0.570 -0.297) 0.643 14.388 ( 3.752 1.108 -0.085) 3.913 17.688 ( 3.438 4.082 -0.294) 5.345 18.563 ( 3.422 -6.443 1.058) 7.372 18.651 ( -9.086 5.225 2.273) 10.725 19.242 ( -4.168 -2.582 -3.704) 6.145 26.935 ( -5.773 8.607 0.239) 10.366 27.915 ( -3.937 -11.386 -0.879) 12.080 28.268 ( -5.427 0.757 0.254) 5.485 28.636 ( 3.015 2.103 -1.237) 3.878 29.009 ( -0.340 -0.669 0.102) 0.757 31.858 ( -0.009 -1.477 0.340) 1.516 35.251 ( -2.815 -1.574 0.082) 3.227 35.770 ( 11.743 3.904 0.238) 12.377 ======================= Grid point 183 (88/294) ======================= q-point: (-0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -20.086 -6.565 -7.555) 22.442 2.056 ( -11.949 -3.044 2.736) 12.631 2.221 ( 2.292 -1.372 1.052) 2.871 2.553 ( -18.026 6.701 0.596) 19.240 2.699 ( -5.830 -3.563 -0.316) 6.840 3.460 ( -28.595 -14.527 -0.958) 32.088 4.150 ( -4.795 3.709 -4.239) 7.397 4.318 ( -3.944 -5.721 -3.849) 7.944 4.755 ( -7.728 3.748 4.547) 9.718 5.248 ( -20.178 -10.269 2.857) 22.820 6.085 ( 16.176 5.396 2.129) 17.185 6.646 ( -1.400 -1.768 0.850) 2.410 7.231 ( 10.078 9.794 -2.019) 14.197 7.519 ( -10.246 -9.218 -3.350) 14.184 8.110 ( -1.680 -3.917 -0.256) 4.270 8.572 ( 16.162 6.438 1.340) 17.449 11.447 ( 1.716 1.624 -0.367) 2.391 11.861 ( -0.009 1.449 1.225) 1.898 12.027 ( 0.468 8.362 -1.563) 8.520 12.160 ( 6.738 3.448 0.345) 7.577 12.540 ( 2.399 5.579 -0.228) 6.077 12.858 ( 0.408 -18.971 2.789) 19.179 14.125 ( 2.105 1.716 -0.335) 2.736 14.444 ( 2.517 -0.649 0.242) 2.610 17.806 ( 4.198 5.630 -0.484) 7.040 18.447 ( -6.710 -5.024 -0.100) 8.383 18.639 ( -0.858 1.177 5.145) 5.348 19.092 ( -8.124 -2.603 -5.691) 10.255 26.917 ( -5.940 7.833 0.353) 9.837 27.671 ( -8.266 -14.186 -1.824) 16.519 28.191 ( -5.695 2.522 1.298) 6.362 28.713 ( 3.812 1.939 -1.081) 4.411 28.991 ( -0.457 -0.565 -0.505) 0.885 31.825 ( -1.887 -1.676 -2.502) 3.554 35.209 ( -1.298 -0.731 2.967) 3.320 36.039 ( 14.173 4.089 -0.405) 14.756 ======================= Grid point 184 (89/294) ======================= q-point: (-0.08 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -23.605 -4.006 -6.202) 24.733 1.688 ( -25.773 -4.795 3.802) 26.490 2.234 ( -1.012 -0.516 0.442) 1.219 2.438 ( -5.714 5.740 4.708) 9.368 2.480 ( -17.821 -4.782 -0.543) 18.459 2.828 ( -22.751 -9.572 -2.681) 24.828 4.104 ( -4.662 3.925 -0.738) 6.139 4.158 ( -5.656 -5.003 -4.387) 8.733 4.626 ( -11.010 0.157 3.758) 11.634 4.817 ( -19.389 -6.206 1.329) 20.401 6.427 ( 14.050 6.960 2.046) 15.812 6.643 ( 3.450 -2.114 0.141) 4.048 7.191 ( -13.460 -7.645 -3.188) 15.805 7.472 ( 5.801 7.843 -2.849) 10.162 8.035 ( -2.350 -2.887 0.178) 3.727 8.898 ( 14.812 2.585 -1.323) 15.094 11.462 ( -0.995 0.254 -0.011) 1.027 11.881 ( 2.921 0.350 -0.966) 3.096 12.129 ( 4.839 3.052 -0.134) 5.722 12.328 ( 4.587 4.491 1.289) 6.548 12.619 ( -2.739 5.219 -3.328) 6.769 12.737 ( 6.860 -12.522 3.553) 14.713 14.202 ( 4.955 1.778 0.336) 5.275 14.472 ( 1.777 -1.044 0.378) 2.095 17.920 ( 3.889 1.548 -0.526) 4.218 18.292 ( -6.444 -0.545 -0.123) 6.468 18.620 ( -5.700 -0.144 7.677) 9.563 18.893 ( -8.134 -1.617 -8.685) 12.009 26.887 ( -5.241 5.203 0.107) 7.386 27.357 ( -12.884 -8.961 -0.846) 15.717 28.126 ( -4.355 1.066 1.270) 4.660 28.795 ( 3.745 1.514 -1.346) 4.258 28.992 ( 1.611 -0.436 -0.265) 1.690 31.721 ( -5.713 -2.246 -15.089) 16.290 35.219 ( 0.982 -0.242 11.318) 11.363 36.325 ( 14.343 2.848 -0.604) 14.635 ======================= Grid point 187 (90/294) ======================= q-point: ( 0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -11.693 14.778 0.852) 18.864 1.243 ( -10.904 28.208 9.276) 31.632 1.837 ( -19.859 37.446 5.251) 42.710 2.140 ( -3.421 1.517 -4.665) 5.981 2.517 ( -8.664 10.553 -3.625) 14.127 2.641 ( 6.163 -11.482 9.077) 15.881 3.925 ( -4.687 0.565 -3.323) 5.773 4.085 ( 0.650 8.849 -2.666) 9.265 4.362 ( -4.270 13.108 -0.444) 13.793 4.587 ( -8.064 10.075 5.224) 13.922 6.569 ( 3.595 -1.575 -2.188) 4.494 6.727 ( 2.166 -11.682 -1.714) 12.004 6.957 ( -9.657 6.980 -0.331) 11.920 7.674 ( 0.774 -5.971 3.853) 7.148 8.022 ( 0.559 4.864 2.682) 5.582 8.906 ( 3.823 1.184 -19.709) 20.111 11.440 ( -0.238 0.980 0.001) 1.009 11.933 ( 2.534 -2.722 -1.776) 4.121 12.207 ( -0.025 -8.052 -1.380) 8.170 12.345 ( 3.450 3.888 -2.608) 5.815 12.519 ( -5.049 1.634 -2.215) 5.751 12.896 ( 6.504 -0.736 1.163) 6.648 14.395 ( 6.861 -10.143 5.323) 13.353 14.486 ( 1.867 -1.236 0.057) 2.240 17.954 ( -5.766 -6.365 0.069) 8.589 18.213 ( 7.510 15.201 -2.511) 17.140 18.290 ( -8.151 -0.170 -2.350) 8.485 18.834 ( -9.317 7.609 -3.830) 12.625 26.833 ( -1.249 3.355 -0.472) 3.611 27.098 ( -10.288 10.732 2.273) 15.039 28.056 ( -1.340 0.858 -0.294) 1.619 28.785 ( -1.487 1.264 -7.044) 7.309 29.094 ( 2.545 -3.845 4.320) 6.318 30.875 ( -16.385 35.446 -56.298) 68.515 35.725 ( 11.590 -18.314 35.577) 41.658 36.562 ( 6.015 -10.717 -1.023) 12.332 ======================= Grid point 188 (91/294) ======================= q-point: ( 0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -2.749 17.865 -2.843) 18.297 1.446 ( -1.634 28.877 9.159) 30.339 2.124 ( 0.813 5.680 -4.969) 7.591 2.142 ( 2.444 38.306 5.361) 38.756 2.523 ( -1.585 8.022 4.240) 9.211 2.614 ( 0.872 -6.224 -0.439) 6.300 3.923 ( 3.571 1.679 -3.258) 5.118 4.140 ( -3.981 6.264 -2.950) 7.987 4.492 ( 2.007 14.295 2.102) 14.588 4.629 ( -1.556 15.860 3.616) 16.341 6.534 ( -0.741 -6.792 -1.847) 7.077 6.715 ( 4.157 -7.865 -1.324) 8.994 6.935 ( -0.587 13.073 -2.101) 13.254 7.555 ( -2.537 -10.085 2.087) 10.607 8.071 ( -3.431 5.201 2.119) 6.581 8.906 ( 1.740 -2.877 -14.357) 14.746 11.449 ( -0.117 1.300 0.059) 1.307 11.908 ( -1.764 -3.254 -2.468) 4.449 12.141 ( 4.796 -9.620 -1.582) 10.865 12.396 ( -0.825 -2.519 1.148) 2.889 12.491 ( 1.701 3.787 -1.750) 4.505 12.940 ( -4.234 2.082 -0.482) 4.743 14.339 ( -1.016 -11.242 3.425) 11.796 14.505 ( 0.540 -1.840 0.541) 1.992 17.918 ( 7.045 -5.565 0.964) 9.030 18.173 ( -4.089 6.548 -3.616) 8.525 18.537 ( 9.316 14.641 -0.313) 17.357 18.717 ( -9.083 5.355 -4.043) 11.292 26.798 ( 0.316 0.725 -0.002) 0.791 27.209 ( -1.072 18.917 1.413) 19.000 28.060 ( 2.112 0.948 0.077) 2.316 28.759 ( -0.202 0.701 -5.448) 5.496 29.074 ( -0.802 -5.137 2.951) 5.978 30.946 ( -0.864 36.100 -46.079) 58.543 35.729 ( -0.419 -18.763 29.933) 35.330 36.487 ( 0.124 -13.699 -1.702) 13.805 ======================= Grid point 189 (92/294) ======================= q-point: ( 0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 6.515 18.126 -9.110) 21.307 1.806 ( 6.168 23.919 7.693) 25.871 2.222 ( 5.615 4.479 -2.168) 7.503 2.467 ( 4.235 4.507 0.972) 6.261 2.561 ( 0.902 4.403 2.886) 5.341 2.806 ( 7.633 30.826 2.590) 31.863 4.011 ( 4.605 1.977 -5.276) 7.277 4.130 ( -0.657 5.791 -0.773) 5.879 4.679 ( 5.640 9.948 1.315) 11.511 4.869 ( 4.140 20.302 3.585) 21.028 6.444 ( 0.671 -15.712 -0.449) 15.733 6.636 ( -2.792 -1.278 -0.908) 3.202 7.137 ( 2.791 15.886 -1.792) 16.229 7.437 ( 0.624 -10.284 -0.383) 10.310 8.058 ( -1.927 3.289 1.844) 4.234 8.791 ( -4.286 -7.879 -8.579) 12.412 11.462 ( 0.472 0.479 -0.026) 0.673 11.833 ( -1.308 -2.240 -3.254) 4.161 12.124 ( 1.707 -6.790 -0.408) 7.013 12.343 ( 1.175 -6.349 0.203) 6.460 12.582 ( 3.294 3.933 -0.172) 5.133 12.787 ( -13.136 0.119 1.139) 13.186 14.221 ( -1.555 -7.004 1.368) 7.304 14.473 ( -2.114 -1.177 -0.233) 2.431 17.916 ( -1.899 -3.692 0.187) 4.156 18.281 ( 4.555 5.119 -0.901) 6.912 18.645 ( 2.086 1.797 -7.580) 8.065 18.823 ( 6.070 13.127 4.624) 15.184 26.883 ( 6.210 2.438 -0.383) 6.682 27.372 ( 0.625 14.089 2.120) 14.261 28.151 ( 4.121 3.960 1.101) 5.821 28.758 ( 1.488 -0.638 -2.111) 2.660 28.991 ( -3.368 -4.449 0.060) 5.580 31.184 ( 5.800 25.515 -31.756) 41.147 35.596 ( -5.305 -11.962 21.817) 25.440 36.294 ( -4.655 -14.533 -2.765) 15.508 ======================= Grid point 190 (93/294) ======================= q-point: ( 0.42 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 12.151 15.102 -12.673) 23.158 2.086 ( 3.512 11.781 2.700) 12.586 2.281 ( -0.955 -1.733 4.385) 4.811 2.641 ( 2.773 10.741 0.943) 11.134 2.741 ( 12.863 12.790 1.028) 18.168 3.290 ( 13.325 23.875 2.827) 27.488 4.079 ( 3.428 3.063 -7.071) 8.434 4.246 ( 6.963 3.744 1.009) 7.970 4.918 ( 9.373 10.361 2.492) 14.192 5.132 ( 2.183 17.084 1.939) 17.332 6.205 ( -8.677 -14.998 -0.038) 17.327 6.616 ( 0.727 -1.506 -1.258) 2.093 7.275 ( 0.529 8.100 -0.383) 8.126 7.354 ( -0.180 -7.242 -3.335) 7.975 8.117 ( 4.037 2.154 2.529) 5.228 8.567 ( -8.288 -9.477 -3.573) 13.087 11.473 ( 1.418 -1.432 -0.225) 2.028 11.812 ( -0.604 2.619 -2.763) 3.855 12.059 ( -4.585 0.445 -0.541) 4.638 12.288 ( -1.697 -7.667 0.232) 7.856 12.535 ( -10.852 2.733 0.850) 11.223 12.717 ( 9.017 -5.106 1.378) 10.454 14.164 ( 0.064 -2.980 0.196) 2.987 14.410 ( -3.164 -1.968 -0.431) 3.751 17.823 ( -4.918 -2.653 -0.003) 5.587 18.316 ( -3.313 4.677 -0.472) 5.751 18.782 ( 11.619 0.531 -5.997) 13.086 19.040 ( 4.244 8.461 4.788) 10.608 27.010 ( 1.508 8.418 -0.623) 8.575 27.556 ( 10.105 3.230 1.653) 10.737 28.249 ( 0.665 5.500 1.427) 5.721 28.771 ( 0.861 -3.237 2.441) 4.144 28.898 ( -2.725 0.053 -3.762) 4.646 31.428 ( 7.446 15.558 -18.446) 25.254 35.471 ( -4.760 -6.748 14.345) 16.552 36.036 ( -7.202 -13.124 -3.531) 15.381 ======================= Grid point 191 (94/294) ======================= q-point: ( 0.50 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 15.188 11.453 -13.763) 23.479 2.224 ( 1.228 6.876 -0.167) 6.987 2.259 ( -0.439 -0.890 4.541) 4.648 2.761 ( 2.428 4.046 3.660) 5.972 3.123 ( 6.456 21.590 2.916) 22.722 3.741 ( 14.886 14.600 -0.050) 20.850 4.166 ( 7.235 1.805 -7.274) 10.417 4.417 ( 7.480 2.921 2.272) 8.345 5.166 ( -3.829 16.742 3.831) 17.597 5.312 ( 10.116 4.373 -0.022) 11.021 5.887 ( -10.368 -12.509 -0.131) 16.248 6.617 ( 0.728 0.927 -1.160) 1.654 7.202 ( -9.930 0.219 -0.788) 9.964 7.394 ( 11.381 -7.839 -3.856) 14.347 8.192 ( 0.602 0.008 2.372) 2.447 8.332 ( -6.524 -8.044 0.264) 10.360 11.487 ( 1.771 -0.592 -0.646) 1.976 11.788 ( -10.171 8.074 -0.775) 13.010 12.013 ( -1.877 5.245 -1.014) 5.662 12.148 ( -4.503 -3.590 -0.076) 5.760 12.455 ( -0.835 -2.665 1.086) 2.997 12.841 ( 12.374 -9.494 1.252) 15.647 14.152 ( 0.455 -0.415 -0.264) 0.670 14.323 ( -3.672 -3.005 -0.424) 4.764 17.703 ( -4.603 -3.992 0.343) 6.103 18.323 ( -1.081 5.445 -0.302) 5.559 18.953 ( 6.970 3.312 -3.418) 8.441 19.161 ( 2.360 1.994 2.708) 4.108 27.097 ( -3.589 13.237 -0.542) 13.725 27.783 ( 14.571 -3.095 0.799) 14.918 28.293 ( -1.156 3.740 1.075) 4.059 28.719 ( -2.748 -2.641 0.978) 3.935 28.888 ( 0.656 0.969 -1.812) 2.157 31.624 ( 6.419 7.767 -8.905) 13.447 35.395 ( -2.295 -3.321 8.518) 9.426 35.776 ( -7.494 -10.222 -3.450) 13.136 ======================= Grid point 192 (95/294) ======================= q-point: ( 0.58 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 11.308 8.060 -14.990) 20.434 2.248 ( 1.286 -1.722 3.427) 4.046 2.314 ( -1.082 7.372 0.526) 7.469 2.827 ( 2.012 -1.291 3.358) 4.122 3.368 ( -4.045 20.044 4.076) 20.850 4.050 ( 8.875 6.370 -4.192) 11.701 4.352 ( 11.161 4.105 -4.415) 12.685 4.562 ( 7.526 -0.293 2.636) 7.980 5.126 ( -14.631 12.839 1.021) 19.492 5.405 ( -9.465 -3.577 2.047) 10.323 5.801 ( 15.376 -1.653 0.815) 15.486 6.633 ( 0.513 -3.494 -1.322) 3.771 7.013 ( -10.351 0.176 -0.060) 10.353 7.501 ( 11.215 -6.561 -1.874) 13.127 8.170 ( -0.410 -0.498 -0.592) 0.876 8.176 ( -4.280 -9.627 2.182) 10.759 11.528 ( 1.362 4.645 -1.224) 4.993 11.642 ( -14.617 10.213 0.135) 17.832 12.046 ( -1.711 2.433 0.095) 2.976 12.130 ( 3.936 2.544 0.020) 4.687 12.408 ( -1.970 -3.110 0.279) 3.692 12.936 ( 11.665 -15.573 1.370) 19.505 14.174 ( 1.803 1.424 -0.436) 2.339 14.226 ( -3.649 -2.930 -0.321) 4.691 17.603 ( -1.587 -4.676 0.675) 4.984 18.381 ( 0.871 5.771 0.044) 5.837 19.043 ( -2.646 6.481 -0.650) 7.031 19.204 ( 4.409 -3.871 -0.213) 5.871 27.152 ( -6.169 15.025 -0.350) 16.246 27.972 ( 9.763 -3.553 0.363) 10.395 28.302 ( 0.304 -0.488 0.674) 0.886 28.655 ( -3.300 0.420 -0.851) 3.434 28.904 ( 2.131 -1.721 0.045) 2.740 31.748 ( 4.368 2.463 -3.530) 6.132 35.382 ( 0.892 -0.937 4.297) 4.488 35.560 ( -6.063 -6.829 -2.449) 9.455 ======================= Grid point 193 (96/294) ======================= q-point: (-0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 2.550 3.869 -14.098) 14.840 2.275 ( 1.865 -1.942 1.963) 3.332 2.345 ( -3.741 6.743 0.408) 7.722 2.827 ( 0.708 -4.455 1.934) 4.908 3.412 ( -12.350 14.901 3.872) 19.737 4.205 ( 6.043 3.186 -4.204) 8.021 4.425 ( -2.796 -0.802 -3.564) 4.600 4.693 ( 1.210 -6.596 -0.740) 6.747 5.012 ( -9.395 13.083 2.865) 16.359 5.231 ( -3.365 2.829 3.643) 5.709 6.111 ( 11.362 2.006 1.192) 11.599 6.478 ( -0.071 -18.058 -0.462) 18.064 6.925 ( -6.029 9.468 0.044) 11.225 7.684 ( 13.216 1.589 0.013) 13.311 7.955 ( -6.479 -15.348 1.399) 16.719 8.192 ( 2.869 -0.592 -2.181) 3.652 11.518 ( -10.560 9.646 0.370) 14.308 11.638 ( 2.844 10.416 -1.694) 10.929 12.031 ( -2.579 2.431 0.679) 3.609 12.256 ( 5.482 3.476 1.577) 6.680 12.322 ( -4.167 -2.865 -0.895) 5.135 12.923 ( 7.388 -20.881 1.220) 22.183 14.147 ( -2.700 -1.168 -0.130) 2.945 14.240 ( 3.850 1.528 -0.398) 4.162 17.570 ( 2.424 -3.440 0.412) 4.228 18.456 ( 1.267 4.587 0.488) 4.784 18.987 ( -8.438 3.613 0.462) 9.190 19.246 ( 3.868 -2.881 -1.392) 5.020 27.182 ( -7.797 15.178 -0.075) 17.064 28.019 ( -0.131 -4.915 0.324) 4.927 28.307 ( 2.590 -3.727 0.094) 4.539 28.614 ( -2.249 2.371 -1.226) 3.491 28.936 ( 3.855 -2.572 0.384) 4.650 31.809 ( 2.581 -0.301 -1.188) 2.857 35.378 ( -3.522 -2.736 -0.770) 4.526 35.473 ( 4.090 -0.417 1.291) 4.309 ======================= Grid point 194 (97/294) ======================= q-point: (-0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( -3.154 0.590 -12.066) 12.486 2.247 ( -3.016 -2.526 1.514) 4.215 2.320 ( -5.689 4.280 0.425) 7.132 2.789 ( -0.321 -4.085 0.560) 4.135 3.273 ( -18.880 10.150 3.015) 21.646 4.263 ( -9.494 -1.864 -2.339) 9.954 4.308 ( -3.189 -1.158 -1.527) 3.720 4.428 ( -9.558 -6.648 -4.543) 12.498 5.024 ( -8.597 12.319 3.545) 15.435 5.430 ( 13.631 6.249 4.369) 15.619 5.932 ( -12.014 -17.806 1.050) 21.506 6.623 ( 14.436 1.571 0.234) 14.523 6.936 ( -2.483 10.329 -0.854) 10.657 7.689 ( -4.152 -17.120 0.270) 17.618 7.967 ( 13.452 5.181 0.924) 14.444 8.219 ( 2.347 -1.373 -2.156) 3.470 11.461 ( -4.925 5.581 0.041) 7.444 11.825 ( 3.608 14.569 -1.208) 15.058 12.009 ( -2.353 1.812 1.038) 3.146 12.202 ( -5.650 -1.758 -1.078) 6.015 12.393 ( 5.571 2.645 1.769) 6.416 12.803 ( 3.882 -21.411 0.710) 21.771 14.113 ( -1.087 0.902 -0.000) 1.412 14.319 ( 4.261 -0.363 -0.182) 4.280 17.622 ( 5.792 -0.805 -0.319) 5.856 18.499 ( -0.007 -0.002 0.869) 0.869 18.866 ( -8.791 3.887 1.047) 9.669 19.249 ( -0.426 -2.215 -1.719) 2.836 27.184 ( -8.929 13.965 0.182) 16.576 27.887 ( -5.226 -10.082 -0.315) 11.361 28.309 ( 0.318 -1.594 0.491) 1.698 28.623 ( 0.619 2.607 -0.713) 2.773 28.974 ( 2.762 -2.085 -0.385) 3.482 31.831 ( 1.248 -1.051 -0.873) 1.851 35.288 ( -3.231 -1.698 0.123) 3.652 35.610 ( 9.563 1.497 0.391) 9.687 ======================= Grid point 195 (98/294) ======================= q-point: (-0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -13.260 -0.810 -9.911) 16.575 2.178 ( -2.778 -1.699 2.693) 4.225 2.241 ( -5.985 1.289 0.077) 6.123 2.736 ( -2.386 -2.503 -0.127) 3.460 3.002 ( -22.399 7.017 2.786) 23.637 3.805 ( -25.619 -10.266 -0.375) 27.602 4.266 ( -4.522 4.423 -1.663) 6.541 4.331 ( -2.781 -1.068 -5.782) 6.505 4.984 ( -9.991 8.974 3.784) 13.953 5.455 ( -14.416 -12.152 3.291) 19.140 5.844 ( 16.494 1.896 2.035) 16.727 6.684 ( -3.642 -1.639 -0.117) 3.995 7.160 ( 10.363 13.621 -2.006) 17.232 7.482 ( -1.872 -14.376 -0.307) 14.500 8.133 ( -0.685 1.316 -0.455) 1.552 8.340 ( 14.250 1.539 -0.198) 14.335 11.457 ( -0.641 3.136 -0.539) 3.246 11.906 ( -3.377 -0.304 1.294) 3.629 12.098 ( 3.673 2.465 0.070) 4.424 12.108 ( -0.916 6.997 -1.891) 7.306 12.501 ( 5.337 -3.559 2.499) 6.885 12.681 ( 1.502 -8.257 -0.819) 8.433 14.122 ( 0.370 1.879 0.019) 1.915 14.374 ( 3.695 -2.094 0.053) 4.248 17.737 ( 6.948 0.689 -0.950) 7.046 18.438 ( -2.938 -6.813 0.508) 7.437 18.804 ( -6.322 9.115 2.546) 11.381 19.169 ( -5.161 -2.916 -2.156) 6.307 27.144 ( -9.348 8.886 0.085) 12.898 27.679 ( -6.657 -8.114 -0.536) 10.509 28.282 ( -2.718 -0.524 1.645) 3.220 28.673 ( 2.560 1.773 -0.081) 3.115 28.980 ( 0.468 -1.552 -1.670) 2.328 31.823 ( -0.601 -0.817 -3.291) 3.443 35.237 ( -1.763 -0.660 2.541) 3.163 35.825 ( 13.075 1.483 -0.463) 13.167 ======================= Grid point 196 (99/294) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -20.926 1.706 -8.401) 22.614 2.030 ( -14.473 -1.088 2.284) 14.692 2.219 ( 1.697 -0.098 1.685) 2.394 2.628 ( -8.567 -2.011 -0.047) 8.800 2.708 ( -15.787 2.850 2.143) 16.185 3.255 ( -29.208 -1.357 0.523) 29.244 4.200 ( -7.237 -2.527 0.290) 7.671 4.253 ( -3.706 6.984 -6.209) 10.053 4.855 ( -13.126 1.639 3.320) 13.638 5.090 ( -16.503 -4.708 2.150) 17.295 6.186 ( 18.184 1.706 1.745) 18.347 6.622 ( -0.672 -0.223 0.683) 0.984 7.288 ( -6.803 -5.947 -0.925) 9.083 7.420 ( 6.107 4.762 -2.485) 8.133 8.099 ( -3.855 3.285 -0.995) 5.162 8.617 ( 16.479 -2.174 -1.174) 16.663 11.481 ( -0.089 1.784 -0.556) 1.871 11.848 ( 0.175 -1.940 -0.471) 2.004 12.067 ( 1.124 -3.586 -0.378) 3.777 12.280 ( 6.550 1.392 0.606) 6.724 12.500 ( 4.318 -10.496 2.524) 11.626 12.730 ( -0.128 12.221 -2.734) 12.524 14.159 ( 2.005 1.214 0.261) 2.359 14.414 ( 3.268 -1.650 0.055) 3.661 17.833 ( 4.560 -2.800 -0.993) 5.443 18.322 ( -1.961 -4.674 -0.135) 5.071 18.821 ( -5.796 11.536 4.411) 13.643 19.000 ( -9.039 -4.005 -2.992) 10.330 27.025 ( -7.956 -1.996 -0.749) 8.237 27.526 ( -9.029 5.033 1.111) 10.396 28.210 ( -4.728 -2.016 2.197) 5.590 28.742 ( 3.585 0.886 0.672) 3.753 28.962 ( 0.322 -1.073 -2.676) 2.902 31.755 ( -4.560 -0.421 -11.366) 12.253 35.233 ( 0.327 -0.359 7.741) 7.756 36.078 ( 14.930 0.121 -0.914) 14.959 ======================= Grid point 199 (100/294) ======================= q-point: ( 0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -14.333 16.898 -6.825) 23.185 1.737 ( -11.587 21.999 6.952) 25.818 2.214 ( -5.581 1.786 -1.311) 6.005 2.364 ( -3.174 10.403 -0.334) 10.882 2.571 ( -4.522 5.815 2.992) 7.951 2.916 ( -23.042 15.887 4.175) 28.298 4.052 ( -8.237 2.303 -2.403) 8.884 4.185 ( -3.730 7.209 -4.129) 9.106 4.548 ( -2.269 12.152 -0.344) 12.367 4.879 ( -11.900 10.762 4.774) 16.740 6.369 ( 11.878 -9.633 -0.927) 15.321 6.610 ( -1.546 -6.313 -1.943) 6.784 7.250 ( -13.773 4.783 0.070) 14.580 7.557 ( 8.022 -2.850 2.261) 8.808 8.079 ( -1.116 4.086 2.513) 4.925 8.720 ( 8.471 -5.335 -11.306) 15.101 11.464 ( -0.360 1.605 0.058) 1.646 11.836 ( 2.611 -3.328 -2.964) 5.165 12.116 ( 4.152 -2.506 -0.988) 4.949 12.296 ( 4.644 -0.884 -0.261) 4.735 12.629 ( -10.284 -3.364 -1.273) 10.895 12.742 ( 10.029 -0.171 2.324) 10.296 14.225 ( 4.734 -4.657 1.513) 6.810 14.456 ( 0.232 -1.889 -0.477) 1.962 17.946 ( 3.272 -2.408 0.887) 4.158 18.261 ( -1.737 9.577 -2.084) 9.954 18.424 ( -7.431 -1.167 -3.739) 8.400 19.054 ( -8.319 5.904 1.471) 10.306 26.875 ( 2.244 7.465 -0.425) 7.807 27.429 ( -16.829 3.630 2.940) 17.465 28.105 ( -1.872 3.476 0.187) 3.952 28.792 ( -0.762 -1.079 -1.451) 1.962 29.008 ( 4.152 -1.663 0.547) 4.506 31.254 ( -13.474 18.787 -33.306) 40.544 35.520 ( 8.137 -7.958 22.244) 24.987 36.302 ( 9.660 -11.667 -2.348) 15.328 ======================= Grid point 200 (101/294) ======================= q-point: ( 0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -10.108 17.330 -7.998) 21.598 1.847 ( -7.423 23.851 9.596) 26.759 2.151 ( -3.705 4.344 -4.810) 7.465 2.433 ( -0.223 4.238 -0.262) 4.252 2.583 ( -2.997 9.002 3.567) 10.136 2.828 ( -9.832 26.770 3.819) 28.772 3.942 ( -4.215 3.206 -2.560) 5.882 4.228 ( -0.980 7.203 -4.738) 8.677 4.677 ( -2.706 15.743 2.867) 16.229 4.840 ( -4.947 12.818 3.178) 14.102 6.427 ( 3.619 -15.977 -1.788) 16.479 6.561 ( 5.032 1.775 -0.880) 5.408 7.115 ( -7.484 8.349 -0.533) 11.224 7.510 ( -2.438 -9.954 -0.175) 10.250 8.176 ( 0.159 7.116 3.150) 7.784 8.740 ( 5.564 -8.018 -10.054) 14.012 11.476 ( -0.823 2.296 0.085) 2.441 11.856 ( 4.372 -3.634 -3.021) 6.438 12.025 ( -4.618 -8.115 -1.320) 9.430 12.361 ( 1.337 -4.488 1.128) 4.817 12.466 ( -0.003 -2.865 0.775) 2.968 12.963 ( 7.207 6.696 -0.491) 9.850 14.237 ( 2.066 -7.198 1.713) 7.682 14.453 ( 2.302 -2.043 -0.337) 3.096 17.850 ( -4.078 -4.490 0.182) 6.068 18.272 ( -2.604 0.372 -2.389) 3.553 18.532 ( 7.675 16.731 -2.324) 18.554 18.941 ( -10.557 4.385 0.702) 11.453 26.877 ( -7.053 1.586 -0.469) 7.244 27.409 ( 1.114 17.574 2.529) 17.790 28.074 ( -3.270 1.029 0.036) 3.428 28.757 ( -1.003 -1.366 -1.962) 2.592 29.032 ( 1.099 -3.295 0.742) 3.552 31.202 ( -6.156 25.216 -31.787) 41.038 35.610 ( 4.788 -11.903 22.081) 25.538 36.288 ( 4.931 -14.656 -2.997) 15.751 ======================= Grid point 201 (102/294) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -2.103 17.617 -10.866) 20.805 2.014 ( -1.388 16.931 7.201) 18.451 2.185 ( 2.926 11.605 -4.628) 12.832 2.403 ( 0.137 -6.003 2.952) 6.691 2.656 ( -1.231 9.429 1.199) 9.585 3.116 ( 0.519 36.114 3.928) 36.331 3.954 ( 1.707 3.660 -1.226) 4.220 4.236 ( -3.474 5.487 -4.314) 7.797 4.724 ( -1.854 7.105 1.874) 7.578 5.046 ( 2.915 22.730 2.258) 23.027 6.273 ( 0.273 -15.695 -1.703) 15.790 6.657 ( 1.132 0.632 0.703) 1.475 7.198 ( 5.903 8.242 -0.156) 10.139 7.362 ( -4.341 -4.248 -1.174) 6.186 8.186 ( -5.758 4.500 1.477) 7.455 8.680 ( 2.033 -12.086 -6.774) 14.003 11.469 ( -1.449 -0.200 -0.041) 1.463 11.856 ( -3.070 0.911 -3.085) 4.447 11.921 ( 7.390 -11.136 -1.174) 13.417 12.274 ( -1.161 -8.946 0.907) 9.066 12.521 ( 4.038 -0.443 2.135) 4.589 13.047 ( -6.646 8.273 -1.307) 10.692 14.176 ( -0.742 -6.222 1.088) 6.359 14.469 ( 1.131 -2.118 -0.349) 2.426 17.807 ( 3.931 -5.812 0.703) 7.052 18.289 ( 1.930 7.139 -3.101) 8.019 18.724 ( -5.195 4.414 -5.852) 8.985 18.880 ( 1.769 11.090 5.861) 12.668 26.813 ( 0.552 0.916 -0.275) 1.104 27.621 ( -4.070 19.374 2.811) 19.996 28.086 ( 5.111 1.568 0.484) 5.368 28.724 ( 0.149 -2.380 -0.840) 2.528 28.994 ( -1.532 -2.636 -1.015) 3.214 31.304 ( -0.567 23.067 -24.719) 33.815 35.592 ( -0.474 -11.201 18.317) 21.475 36.167 ( 0.239 -15.592 -3.781) 16.045 ======================= Grid point 202 (103/294) ======================= q-point: ( 0.42 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 4.573 14.676 -12.159) 19.600 2.134 ( 2.495 5.553 1.064) 6.181 2.312 ( -2.264 0.108 4.103) 4.688 2.570 ( 17.182 15.853 0.220) 23.380 2.733 ( -0.567 7.808 2.108) 8.107 3.488 ( 1.475 30.767 2.355) 30.893 4.042 ( 2.914 4.762 -0.977) 5.667 4.227 ( -0.464 4.171 -2.055) 4.673 4.830 ( 7.086 4.453 -0.099) 8.370 5.330 ( 1.484 22.626 1.829) 22.749 6.111 ( -0.876 -16.288 -0.579) 16.321 6.645 ( -2.599 2.630 -1.127) 3.866 7.185 ( 0.398 -13.347 -0.426) 13.360 7.450 ( 0.189 14.522 -0.188) 14.524 8.137 ( -2.726 3.157 1.500) 4.433 8.527 ( -2.309 -13.921 -3.743) 14.599 11.435 ( 0.146 -2.760 -0.337) 2.784 11.843 ( -0.018 4.275 -2.399) 4.902 11.972 ( 9.123 -8.174 -0.880) 12.281 12.171 ( -0.535 -8.567 0.251) 8.587 12.579 ( 3.786 -3.281 2.191) 5.468 12.906 ( -18.033 9.089 -0.342) 20.197 14.125 ( 0.366 -3.155 0.368) 3.198 14.439 ( -1.823 -2.181 -0.495) 2.885 17.808 ( 1.697 -6.476 0.563) 6.718 18.428 ( 1.440 9.116 -1.124) 9.297 18.623 ( -0.038 0.193 -5.333) 5.337 19.078 ( 3.915 8.974 4.560) 10.801 26.919 ( 9.652 1.386 -0.220) 9.753 27.663 ( -7.930 13.055 1.306) 15.330 28.243 ( 5.992 4.086 1.650) 7.438 28.712 ( 1.845 -4.026 1.481) 4.670 28.938 ( -2.452 0.585 -2.919) 3.857 31.458 ( 2.156 16.976 -15.972) 23.408 35.511 ( -3.032 -8.042 13.350) 15.877 35.975 ( -3.147 -14.160 -4.230) 15.110 ======================= Grid point 203 (104/294) ======================= q-point: ( 0.50 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 10.050 11.095 -10.215) 18.123 2.238 ( 2.724 3.318 -0.062) 4.293 2.289 ( -0.644 1.280 3.354) 3.647 2.793 ( -0.285 3.835 3.222) 5.016 3.093 ( 20.064 17.957 2.187) 27.015 3.796 ( 2.529 23.130 -0.669) 23.278 4.104 ( -0.335 5.079 -4.072) 6.518 4.324 ( 6.796 2.519 2.382) 7.630 5.054 ( 14.112 3.121 0.156) 14.454 5.523 ( -4.907 19.248 0.878) 19.883 5.890 ( -6.147 -15.367 0.440) 16.557 6.638 ( -1.341 3.517 -2.487) 4.511 7.074 ( 3.972 -14.157 -2.603) 14.933 7.480 ( -9.152 9.281 0.518) 13.045 8.178 ( 2.056 1.513 2.732) 3.739 8.317 ( -4.293 -13.539 -1.231) 14.257 11.439 ( 2.831 -0.707 -0.405) 2.946 11.907 ( 1.338 6.403 -1.333) 6.676 12.056 ( 7.727 -5.007 -0.745) 9.238 12.094 ( 0.066 -5.344 -0.288) 5.352 12.580 ( -3.262 -4.088 1.887) 5.560 12.674 ( -11.867 4.780 0.294) 12.797 14.122 ( 1.390 -1.221 -0.053) 1.851 14.366 ( -3.528 -2.286 -0.483) 4.232 17.727 ( -3.519 -6.085 0.388) 7.040 18.441 ( -4.163 6.349 -0.296) 7.598 18.765 ( 11.866 2.018 -4.009) 12.686 19.200 ( 0.665 4.558 3.221) 5.621 27.142 ( 11.559 4.471 -0.143) 12.394 27.674 ( -2.599 8.195 0.179) 8.599 28.332 ( 0.398 1.833 0.991) 2.121 28.703 ( 1.101 -4.295 2.109) 4.910 28.911 ( -1.774 2.270 -2.372) 3.733 31.603 ( 3.054 10.105 -8.377) 13.476 35.428 ( -2.803 -4.847 8.545) 10.216 35.763 ( -4.733 -10.993 -3.893) 12.586 ======================= Grid point 204 (105/294) ======================= q-point: ( 0.58 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 12.690 9.010 -7.878) 17.444 2.243 ( -1.262 -0.377 1.666) 2.124 2.380 ( 2.736 6.360 0.448) 6.938 2.809 ( -0.870 -0.795 3.131) 3.346 3.573 ( 10.000 18.812 5.145) 21.917 4.012 ( 3.673 9.009 -6.038) 11.451 4.179 ( 6.488 7.527 -3.730) 10.614 4.464 ( 5.114 0.108 3.114) 5.988 5.361 ( 15.420 2.509 0.662) 15.637 5.543 ( -14.915 16.753 1.184) 22.461 5.625 ( -3.947 -12.182 0.793) 12.830 6.595 ( -3.100 -7.678 -1.975) 8.513 7.060 ( 7.276 -4.211 -3.655) 9.167 7.402 ( -7.080 6.452 1.025) 9.633 8.115 ( -3.391 -13.562 0.729) 13.998 8.197 ( -1.118 -1.269 1.536) 2.285 11.519 ( 4.357 4.410 -0.660) 6.234 11.972 ( -4.465 8.060 -0.010) 9.214 12.061 ( 2.547 -3.586 -0.541) 4.432 12.120 ( -0.332 4.739 -0.398) 4.767 12.414 ( -6.901 -1.462 0.746) 7.094 12.626 ( 4.838 -11.263 0.963) 12.296 14.142 ( 1.817 -0.241 -0.299) 1.857 14.276 ( -3.975 -1.758 -0.299) 4.356 17.595 ( -3.948 -6.020 0.535) 7.219 18.464 ( -1.134 6.998 -0.103) 7.090 18.969 ( 10.138 1.476 -2.189) 10.477 19.213 ( -3.089 0.911 1.533) 3.567 27.363 ( 3.132 11.863 -0.032) 12.269 27.758 ( 6.994 1.294 -0.312) 7.119 28.317 ( -2.188 -1.628 0.531) 2.778 28.687 ( -0.041 -1.016 0.610) 1.186 28.883 ( -1.808 -0.864 -0.642) 2.104 31.707 ( 2.716 4.374 -3.473) 6.211 35.380 ( -0.782 -2.274 4.614) 5.203 35.576 ( -4.827 -7.238 -2.778) 9.132 ======================= Grid point 205 (106/294) ======================= q-point: ( 0.67 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 6.802 7.815 -8.149) 13.181 2.229 ( 0.690 -1.631 1.852) 2.563 2.474 ( -1.023 7.975 0.263) 8.045 2.770 ( -0.330 -5.674 1.887) 5.989 3.766 ( -8.155 13.375 6.498) 16.960 4.142 ( 5.909 7.276 -6.959) 11.674 4.402 ( 6.744 3.056 -4.270) 8.547 4.521 ( 6.486 -4.338 1.861) 8.022 5.302 ( -11.112 -3.864 3.795) 12.362 5.445 ( -12.513 14.829 -0.089) 19.404 5.831 ( 21.411 3.400 1.348) 21.721 6.340 ( -6.825 -21.925 -1.612) 23.019 7.155 ( -4.233 13.484 -2.486) 14.350 7.457 ( 10.853 1.005 0.999) 10.945 7.893 ( -5.509 -17.708 1.830) 18.635 8.165 ( -0.386 -0.597 -0.725) 1.015 11.658 ( 3.311 7.662 -1.092) 8.418 11.888 ( -14.170 13.574 0.386) 19.627 12.083 ( 0.020 1.890 -0.113) 1.893 12.195 ( 4.535 2.589 1.081) 5.333 12.335 ( -0.749 -4.154 -0.472) 4.247 12.577 ( 6.658 -19.233 0.720) 20.366 14.171 ( 0.559 -0.202 -0.372) 0.701 14.210 ( -1.001 -0.147 -0.039) 1.012 17.501 ( -0.220 -4.786 0.450) 4.812 18.522 ( -0.648 6.495 0.169) 6.530 19.122 ( 6.356 0.823 -1.113) 6.505 19.135 ( -5.269 -1.189 0.496) 5.425 27.476 ( -5.905 16.304 0.035) 17.341 27.901 ( 8.398 -3.991 -0.205) 9.301 28.244 ( -1.347 -4.841 0.229) 5.030 28.682 ( -2.051 2.803 -0.605) 3.525 28.848 ( 1.639 -3.945 0.377) 4.289 31.766 ( 2.062 0.952 -1.186) 2.562 35.385 ( 1.113 -0.544 1.377) 1.852 35.440 ( -2.867 -3.854 -0.841) 4.876 ======================= Grid point 206 (107/294) ======================= q-point: (-0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( -2.438 5.287 -6.826) 8.972 2.246 ( 1.195 -1.308 -0.222) 1.786 2.477 ( -6.641 4.875 0.390) 8.248 2.731 ( 2.174 -4.889 0.886) 5.423 3.672 ( -14.642 5.518 4.733) 16.348 4.286 ( 3.325 7.631 -4.600) 9.511 4.378 ( -3.995 -0.616 -2.516) 4.761 4.517 ( -6.665 -8.691 -0.066) 10.952 5.273 ( 8.588 2.960 3.523) 9.743 5.373 ( -13.224 15.758 1.711) 20.643 5.925 ( -10.044 -21.758 -0.788) 23.978 6.302 ( 23.489 2.695 0.380) 23.647 7.162 ( -8.846 14.057 -2.173) 16.750 7.593 ( -5.902 -19.166 1.079) 20.083 7.753 ( 16.795 3.421 1.251) 17.186 8.169 ( 1.287 -0.532 -0.907) 1.662 11.648 ( -9.237 4.016 -0.030) 10.073 11.921 ( -0.016 13.976 -0.915) 14.006 12.085 ( -3.004 2.132 0.860) 3.782 12.257 ( -2.144 -2.713 -1.788) 3.892 12.314 ( 4.453 -1.328 2.634) 5.341 12.509 ( 7.967 -14.801 -0.293) 16.812 14.148 ( -1.693 1.130 0.027) 2.035 14.243 ( 3.325 -1.072 -0.149) 3.497 17.504 ( 4.576 -2.286 -0.152) 5.118 18.544 ( -2.658 1.821 0.461) 3.254 19.031 ( -6.157 2.441 0.527) 6.644 19.201 ( 3.069 -1.645 -0.804) 3.573 27.494 ( -9.689 13.530 0.092) 16.642 27.874 ( -3.203 -8.418 -0.066) 9.007 28.241 ( 4.525 -2.213 0.180) 5.041 28.665 ( -2.465 2.779 -0.267) 3.724 28.877 ( 4.929 -2.929 -0.216) 5.738 31.797 ( 1.544 -0.101 -0.767) 1.727 35.331 ( -3.476 -1.068 -0.102) 3.638 35.478 ( 6.434 -0.106 0.423) 6.449 ======================= Grid point 207 (108/294) ======================= q-point: (-0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -7.382 4.906 -5.425) 10.392 2.213 ( -2.654 -0.963 -0.987) 2.991 2.370 ( -7.290 -0.362 0.088) 7.300 2.737 ( 0.487 -0.506 0.688) 0.983 3.416 ( -18.765 -0.796 4.167) 19.239 4.135 ( -20.142 -4.156 -1.695) 20.636 4.352 ( -2.089 1.643 -5.118) 5.767 4.374 ( -2.094 5.022 1.499) 5.644 5.299 ( -11.620 11.107 2.021) 16.201 5.511 ( -4.933 -12.199 3.419) 13.595 5.581 ( 10.919 -2.958 -0.415) 11.320 6.657 ( 9.084 1.537 -1.409) 9.320 7.156 ( 0.253 6.157 -1.264) 6.290 7.379 ( -1.123 -7.497 0.097) 7.581 8.069 ( 12.704 4.071 1.216) 13.395 8.182 ( 2.200 -1.363 -0.416) 2.621 11.538 ( -5.875 2.228 -0.344) 6.292 11.948 ( -3.704 -7.642 1.307) 8.592 12.075 ( 1.367 2.660 -0.146) 2.995 12.162 ( -3.073 -3.626 -2.198) 5.237 12.364 ( 3.865 -2.660 2.382) 5.262 12.627 ( 7.104 9.134 -1.130) 11.627 14.145 ( -0.711 1.946 0.121) 2.075 14.283 ( 3.686 -2.727 -0.052) 4.585 17.600 ( 7.459 -0.427 -0.855) 7.520 18.456 ( -5.276 -4.627 0.512) 7.037 18.997 ( -4.633 8.413 1.057) 9.663 19.188 ( -1.149 -3.734 -0.544) 3.944 27.373 ( -11.458 -1.650 -0.495) 11.587 27.755 ( -5.132 3.319 0.436) 6.127 28.287 ( 1.465 -1.204 1.040) 2.163 28.664 ( 0.150 1.140 0.520) 1.262 28.927 ( 3.109 -1.463 -1.572) 3.779 31.812 ( 0.480 0.294 -2.203) 2.273 35.276 ( -2.523 0.053 1.646) 3.013 35.624 ( 10.282 -0.127 -0.534) 10.297 ======================= Grid point 208 (109/294) ======================= q-point: (-0.08 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( -15.911 7.083 -7.558) 18.986 2.178 ( -1.572 0.119 2.519) 2.971 2.233 ( -6.016 -1.803 -0.794) 6.330 2.716 ( -3.899 0.257 0.450) 3.933 3.048 ( -20.243 -5.209 4.197) 21.320 3.744 ( -23.463 5.482 -0.294) 24.097 4.301 ( -5.375 1.517 -4.495) 7.169 4.371 ( -3.710 5.721 1.104) 6.907 5.094 ( -13.780 -8.626 2.934) 16.520 5.305 ( -9.109 5.014 0.695) 10.421 5.879 ( 16.917 -0.586 0.796) 16.946 6.645 ( -3.042 -1.095 -1.338) 3.498 7.200 ( 4.329 -11.549 0.714) 12.354 7.466 ( 2.596 15.938 -2.427) 16.329 8.164 ( 0.198 1.329 -0.080) 1.346 8.326 ( 11.978 -2.736 0.363) 12.291 11.501 ( -0.705 1.806 -0.751) 2.079 11.787 ( -0.480 -13.146 0.906) 13.186 12.042 ( -3.222 -3.678 -1.677) 5.170 12.150 ( 4.535 -2.329 -0.156) 5.100 12.419 ( 2.462 0.581 2.380) 3.473 12.848 ( 2.418 16.117 -2.032) 16.424 14.152 ( -0.101 0.395 0.293) 0.502 14.329 ( 4.494 -1.582 -0.122) 4.766 17.709 ( 5.802 -2.344 -0.973) 6.333 18.326 ( -3.537 -3.221 0.061) 4.784 19.009 ( -4.452 5.665 -1.247) 7.312 19.098 ( -5.059 -0.703 2.677) 5.767 27.114 ( -9.578 -9.653 -1.021) 13.637 27.759 ( -5.492 13.470 1.444) 14.618 28.260 ( -3.072 -2.837 2.005) 4.637 28.695 ( 2.460 -0.330 1.178) 2.748 28.940 ( 0.483 -0.451 -2.827) 2.903 31.792 ( -2.509 1.077 -6.685) 7.221 35.257 ( -0.974 0.298 4.700) 4.809 35.820 ( 13.134 -1.443 -1.159) 13.263 ======================= Grid point 211 (110/294) ======================= q-point: ( 0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -16.000 15.344 -11.417) 24.935 2.054 ( -4.447 10.205 1.987) 11.308 2.268 ( -0.645 -3.184 3.789) 4.990 2.547 ( -7.454 17.590 0.135) 19.105 2.761 ( -6.505 4.724 2.877) 8.539 3.532 ( -24.872 15.515 2.944) 29.462 4.204 ( -5.034 4.776 -0.277) 6.945 4.318 ( -7.183 2.806 -5.450) 9.443 4.674 ( 0.800 9.806 0.642) 9.860 5.246 ( -15.645 10.754 3.034) 19.226 6.032 ( 13.049 -11.239 -0.644) 17.234 6.608 ( -3.113 -1.743 -1.348) 3.814 7.259 ( 12.249 -5.168 -0.542) 13.306 7.591 ( -12.688 0.245 0.828) 12.718 8.155 ( -2.166 3.122 2.008) 4.298 8.458 ( 11.309 -6.199 -4.986) 13.827 11.451 ( 2.649 -0.637 -0.175) 2.730 11.807 ( -1.250 1.200 -1.859) 2.541 12.007 ( 9.171 4.142 -1.993) 10.258 12.161 ( 5.427 -4.558 0.320) 7.094 12.593 ( 7.201 -0.918 2.496) 7.676 12.805 ( -15.061 -5.967 -0.277) 16.202 14.137 ( 2.427 -1.749 0.352) 3.012 14.430 ( 0.341 -2.403 -0.482) 2.475 17.828 ( 7.690 -0.540 0.704) 7.741 18.420 ( -5.239 9.498 -2.108) 11.050 18.497 ( -5.198 -3.939 -2.272) 6.906 19.232 ( -5.696 3.402 2.293) 7.020 26.906 ( 3.692 9.232 -0.192) 9.944 27.729 ( -15.815 -3.021 1.184) 16.145 28.192 ( -2.175 6.042 1.499) 6.595 28.760 ( 2.421 -3.303 2.077) 4.592 28.956 ( 1.200 2.278 -3.091) 4.023 31.523 ( -10.349 10.071 -17.231) 22.482 35.412 ( 4.468 -3.574 13.235) 14.419 36.001 ( 10.464 -10.633 -3.193) 15.256 ======================= Grid point 212 (111/294) ======================= q-point: ( 0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -13.223 15.080 -11.979) 23.362 2.115 ( -2.571 9.362 3.466) 10.309 2.251 ( -0.473 0.181 4.657) 4.684 2.595 ( -10.350 18.690 -1.816) 21.441 2.736 ( -3.548 6.332 2.415) 7.650 3.331 ( -16.610 21.500 3.021) 27.336 4.092 ( -8.477 3.988 -3.208) 9.902 4.302 ( -1.347 6.154 -3.817) 7.366 4.865 ( 2.737 18.326 2.455) 18.691 5.098 ( -12.341 7.519 3.194) 14.800 6.132 ( 10.972 -13.564 0.062) 17.447 6.549 ( -1.358 1.806 -1.711) 2.834 7.316 ( -6.270 3.106 -0.693) 7.032 7.401 ( 1.290 -10.909 -1.952) 11.157 8.228 ( 2.387 6.187 3.212) 7.368 8.518 ( 6.552 -9.636 -4.945) 12.658 11.496 ( 1.765 1.136 -0.118) 2.102 11.773 ( -1.528 -1.143 -2.468) 3.120 12.053 ( -3.302 -2.041 -1.093) 4.033 12.262 ( 5.359 -4.302 0.446) 6.887 12.476 ( -6.713 -7.126 1.636) 9.925 12.837 ( 13.136 5.769 0.387) 14.352 14.158 ( 1.758 -2.452 0.274) 3.029 14.398 ( 0.524 -3.456 -0.408) 3.519 17.870 ( -0.753 -4.942 0.004) 4.999 18.306 ( -5.076 -1.360 -0.731) 5.305 18.587 ( 4.250 15.275 -2.656) 16.076 19.148 ( -8.187 2.461 1.805) 8.738 27.027 ( -4.471 6.750 -0.582) 8.118 27.544 ( -2.550 7.422 1.513) 7.993 28.180 ( -5.028 3.167 1.232) 6.068 28.745 ( -0.367 -3.391 0.697) 3.481 28.990 ( 1.457 0.053 -1.651) 2.203 31.439 ( -6.814 15.417 -18.561) 25.072 35.490 ( 4.763 -6.687 14.742) 16.874 36.024 ( 7.321 -13.273 -3.927) 15.659 ======================= Grid point 213 (112/294) ======================= q-point: ( 0.33 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -8.152 13.381 -13.215) 20.498 2.134 ( -2.844 3.825 -0.299) 4.776 2.300 ( 2.108 2.762 4.872) 5.984 2.533 ( -13.686 16.355 0.708) 21.337 2.770 ( -1.366 7.047 2.097) 7.479 3.458 ( -1.299 27.584 2.706) 27.746 4.035 ( -3.656 7.853 -1.164) 8.740 4.321 ( -2.098 5.596 -3.891) 7.132 4.900 ( -10.512 3.822 3.608) 11.752 5.210 ( 5.040 21.720 0.804) 22.311 6.086 ( 2.498 -16.328 -1.636) 16.599 6.620 ( 4.479 3.471 1.319) 5.818 7.181 ( -3.952 -6.318 0.780) 7.493 7.412 ( 1.916 6.581 -3.812) 7.843 8.306 ( -1.540 3.544 1.879) 4.297 8.470 ( 3.776 -13.797 -3.731) 14.783 11.510 ( -2.296 0.509 0.001) 2.351 11.707 ( 1.845 -9.998 -1.397) 10.263 11.940 ( -5.359 1.623 -2.295) 6.051 12.204 ( -0.584 -8.201 0.643) 8.246 12.458 ( 3.174 -1.021 2.333) 4.069 13.116 ( 8.015 8.347 -1.204) 11.635 14.139 ( -0.519 -3.256 0.549) 3.343 14.396 ( 3.111 -3.431 -0.406) 4.649 17.763 ( -3.604 -4.369 0.143) 5.666 18.286 ( 2.508 2.445 -1.723) 3.903 18.806 ( 2.315 11.104 -2.830) 11.690 19.031 ( -6.996 3.682 3.610) 8.691 26.901 ( -8.982 1.279 -0.710) 9.101 27.782 ( 9.125 16.440 2.891) 19.024 28.102 ( -6.247 1.784 0.783) 6.543 28.698 ( -0.756 -3.813 0.116) 3.889 28.990 ( -0.284 -0.540 -1.703) 1.809 31.469 ( -2.459 16.737 -16.178) 23.407 35.525 ( 2.398 -8.181 13.576) 16.031 35.966 ( 3.581 -14.144 -4.494) 15.267 ======================= Grid point 214 (113/294) ======================= q-point: ( 0.42 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -0.941 10.278 -12.166) 15.954 2.132 ( 0.460 2.031 -1.260) 2.434 2.345 ( -0.083 -1.204 2.172) 2.485 2.591 ( 0.535 19.364 2.941) 19.593 2.835 ( -0.745 7.642 2.446) 8.059 3.736 ( 2.215 21.364 1.283) 21.517 4.111 ( 0.036 12.259 2.368) 12.486 4.310 ( -4.303 5.725 -3.226) 7.855 4.803 ( -2.108 0.101 0.561) 2.183 5.507 ( 3.493 19.198 0.227) 19.515 5.956 ( 1.168 -12.132 -1.610) 12.294 6.699 ( 0.272 2.441 0.652) 2.541 7.059 ( -1.104 -10.872 1.025) 10.976 7.568 ( 3.273 14.134 -1.229) 14.560 8.250 ( -5.771 -0.130 0.656) 5.810 8.369 ( 1.592 -13.859 -2.442) 14.162 11.422 ( -3.274 -4.231 -0.333) 5.360 11.688 ( 8.022 -10.673 -0.221) 13.353 11.916 ( -1.726 5.650 -2.474) 6.405 12.123 ( -0.974 -4.861 0.030) 4.958 12.500 ( 2.794 -3.158 2.255) 4.782 13.220 ( -6.115 9.167 -1.367) 11.104 14.101 ( -0.509 -1.877 0.573) 2.027 14.408 ( 1.866 -3.855 -0.394) 4.301 17.702 ( 1.625 -4.797 0.407) 5.081 18.414 ( 6.916 6.894 -2.243) 10.019 18.737 ( -10.319 0.346 -2.816) 10.702 19.116 ( 3.212 8.237 4.370) 9.862 26.830 ( 0.585 0.925 -0.403) 1.166 27.959 ( -9.681 10.741 1.750) 14.566 28.151 ( 10.072 5.446 1.919) 11.610 28.651 ( 0.320 -4.471 0.505) 4.511 28.971 ( -1.176 1.191 -2.287) 2.834 31.561 ( -0.316 14.171 -11.460) 18.228 35.501 ( -0.417 -7.368 10.681) 12.982 35.846 ( 0.276 -12.801 -4.559) 13.591 ======================= Grid point 215 (114/294) ======================= q-point: ( 0.50 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 5.439 7.256 -7.247) 11.608 2.194 ( 4.540 1.886 -0.632) 4.957 2.328 ( -1.617 0.671 1.650) 2.406 2.838 ( 3.187 6.416 2.082) 7.460 2.966 ( 9.764 13.802 2.285) 17.061 3.945 ( 1.467 13.061 -0.968) 13.178 4.262 ( 3.384 2.505 0.886) 4.303 4.297 ( -6.046 18.518 2.199) 19.604 4.857 ( 8.902 -0.898 -1.611) 9.091 5.645 ( 2.243 -4.466 -0.352) 5.010 5.915 ( -3.189 9.280 -1.057) 9.869 6.699 ( -2.477 1.975 -1.980) 3.736 6.923 ( -1.707 -10.991 0.736) 11.147 7.708 ( -3.406 10.925 0.654) 11.462 8.168 ( -0.314 -8.132 1.444) 8.265 8.235 ( -2.599 -5.811 -1.505) 6.541 11.372 ( 2.478 -2.898 -0.316) 3.826 11.742 ( 10.276 -11.252 0.523) 15.247 11.951 ( 0.688 4.114 -1.709) 4.508 12.093 ( -0.045 1.671 -0.790) 1.849 12.502 ( 1.771 -5.501 1.477) 5.965 13.095 ( -17.703 9.505 -0.619) 20.103 14.095 ( 0.659 -0.105 0.339) 0.749 14.374 ( -0.838 -4.050 -0.338) 4.150 17.690 ( 1.252 -5.054 0.345) 5.218 18.562 ( -6.926 -0.225 -1.185) 7.030 18.627 ( 8.717 7.558 -2.717) 11.852 19.235 ( 1.316 4.052 3.300) 5.389 26.939 ( 10.669 0.737 -0.122) 10.695 27.893 ( -8.314 9.071 0.182) 12.305 28.327 ( 3.153 3.071 1.540) 4.663 28.629 ( 2.147 -4.652 1.439) 5.322 28.961 ( -1.628 2.510 -1.958) 3.576 31.654 ( 0.299 9.729 -6.383) 11.640 35.444 ( -1.840 -5.254 7.149) 9.061 35.702 ( -1.949 -9.672 -3.865) 10.597 ======================= Grid point 216 (115/294) ======================= q-point: ( 0.58 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 11.043 6.027 -1.254) 12.643 2.280 ( -0.281 1.811 0.144) 1.838 2.344 ( 4.614 1.887 0.224) 4.990 2.864 ( -3.129 1.535 2.528) 4.306 3.403 ( 22.168 10.576 0.251) 24.563 4.021 ( -1.783 4.246 -3.541) 5.809 4.307 ( 0.188 5.703 3.161) 6.523 4.453 ( -1.187 14.096 1.490) 14.224 5.075 ( 16.787 0.264 -1.095) 16.825 5.547 ( -0.596 -13.929 -0.214) 13.944 5.955 ( -9.969 18.538 -0.275) 21.050 6.574 ( -7.065 -11.501 -2.070) 13.655 6.878 ( 5.876 -1.051 -1.053) 6.062 7.686 ( -10.699 11.245 0.212) 15.523 8.015 ( -1.600 -14.982 0.038) 15.067 8.203 ( -0.871 -1.127 1.689) 2.209 11.453 ( 7.104 2.244 -0.216) 7.453 11.812 ( 11.040 -11.972 0.709) 16.301 12.017 ( 3.080 3.489 -0.731) 4.711 12.141 ( 1.238 5.125 -1.097) 5.385 12.462 ( 0.433 -7.117 0.653) 7.160 12.826 ( -22.510 8.271 0.009) 23.982 14.116 ( 1.147 0.709 0.102) 1.352 14.306 ( -2.195 -3.580 -0.210) 4.205 17.621 ( -3.925 -4.057 0.248) 5.651 18.499 ( 0.731 -0.462 -0.874) 1.230 18.846 ( 7.807 7.449 -1.490) 10.893 19.260 ( -1.490 -0.198 1.891) 2.416 27.193 ( 16.713 1.029 0.113) 16.745 27.861 ( -6.114 9.366 -0.505) 11.196 28.341 ( -2.200 -1.129 0.443) 2.513 28.640 ( 2.890 -2.929 1.475) 4.371 28.933 ( -3.389 0.884 -1.029) 3.650 31.720 ( 0.328 5.127 -2.551) 5.736 35.389 ( -1.490 -2.976 3.867) 5.102 35.569 ( -3.090 -5.815 -2.566) 7.067 ======================= Grid point 217 (116/294) ======================= q-point: ( 0.67 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 12.544 5.587 1.390) 13.802 2.253 ( -2.917 0.655 -0.157) 2.993 2.481 ( 6.666 3.052 -0.263) 7.336 2.790 ( -5.727 -1.900 1.319) 6.176 3.897 ( 23.836 5.364 -2.937) 24.608 3.982 ( -4.573 2.213 0.620) 5.118 4.383 ( 1.988 2.616 2.787) 4.308 4.497 ( -4.893 5.530 -1.235) 7.487 5.374 ( -3.294 -6.830 0.033) 7.583 5.436 ( 19.894 1.575 0.371) 19.959 5.928 ( -14.202 18.507 0.964) 23.348 6.252 ( -9.561 -20.404 -2.194) 22.640 7.076 ( 14.942 3.409 -0.828) 15.348 7.596 ( -11.791 11.212 -0.359) 16.274 7.822 ( -5.033 -14.280 0.691) 15.156 8.165 ( -0.943 -2.143 0.707) 2.445 11.637 ( 7.308 6.637 -0.304) 9.877 11.910 ( 12.536 -7.914 0.509) 14.834 12.109 ( 3.610 2.321 -0.089) 4.293 12.206 ( 0.991 3.536 -0.642) 3.727 12.378 ( -2.922 -5.586 0.121) 6.305 12.504 ( -19.936 2.386 0.253) 20.080 14.148 ( 1.492 1.164 -0.038) 1.893 14.235 ( -2.177 -2.340 -0.049) 3.196 17.507 ( -4.428 -2.283 0.237) 4.988 18.545 ( 3.463 0.728 -0.450) 3.568 19.025 ( 5.618 5.108 -0.683) 7.624 19.202 ( -3.419 -2.809 0.791) 4.495 27.507 ( 16.298 2.294 0.347) 16.462 27.849 ( -4.976 6.443 -0.734) 8.174 28.253 ( -4.340 -3.882 0.200) 5.826 28.682 ( 3.477 -0.258 0.789) 3.574 28.854 ( -4.937 -0.936 -0.469) 5.046 31.755 ( 0.432 1.836 -0.527) 1.958 35.365 ( 0.353 -1.250 1.450) 1.947 35.464 ( -3.535 -2.301 -1.168) 4.377 ======================= Grid point 218 (117/294) ======================= q-point: (-0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 5.718 5.688 -0.023) 8.065 2.209 ( -1.090 -0.880 -0.007) 1.401 2.618 ( 5.894 1.491 -0.073) 6.080 2.645 ( -7.927 -2.530 0.077) 8.321 3.869 ( -6.198 -5.409 0.004) 8.227 4.272 ( 8.473 5.826 0.058) 10.283 4.441 ( -3.210 2.185 -0.478) 3.913 4.450 ( 4.930 -1.421 0.469) 5.152 5.229 ( -3.783 -2.749 -0.079) 4.677 5.820 ( -8.953 18.262 1.230) 20.375 5.852 ( -8.592 -22.294 -1.584) 23.945 5.914 ( 16.978 3.914 0.390) 17.428 7.408 ( 12.025 6.850 0.039) 13.840 7.531 ( -1.663 -8.189 -0.059) 8.356 7.542 ( -10.391 1.349 0.024) 10.478 8.156 ( 0.475 0.425 0.002) 0.638 11.754 ( 0.889 0.385 0.003) 0.969 12.113 ( 8.398 1.167 -0.248) 8.482 12.157 ( -0.394 -11.193 1.277) 11.273 12.162 ( -11.854 6.624 -0.952) 13.613 12.252 ( 0.655 5.484 -0.111) 5.524 12.326 ( 1.962 -2.663 0.030) 3.308 14.187 ( 0.551 1.798 -0.014) 1.880 14.189 ( -0.263 -1.702 0.014) 1.723 17.452 ( -0.343 0.212 -0.000) 0.403 18.586 ( -0.030 -0.573 0.000) 0.574 19.117 ( 0.054 -2.926 -0.001) 2.927 19.136 ( 0.319 3.181 0.001) 3.197 27.750 ( -7.172 6.030 -0.003) 9.370 27.775 ( 7.541 -6.253 0.004) 9.796 28.174 ( -0.289 -0.079 -0.000) 0.300 28.757 ( -4.263 3.474 -0.038) 5.499 28.762 ( 4.320 -3.033 0.037) 5.279 31.776 ( 0.887 0.583 -0.000) 1.062 35.389 ( 3.283 -0.514 -0.007) 3.323 35.390 ( -3.657 0.290 0.007) 3.668 ======================= Grid point 219 (118/294) ======================= q-point: (-0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -3.640 3.928 1.778) 5.643 2.228 ( 0.693 1.302 -3.962) 4.227 2.469 ( -6.686 -5.536 0.058) 8.681 2.723 ( 2.582 3.706 0.214) 4.522 3.636 ( -11.733 -10.612 2.470) 16.011 4.312 ( -4.334 -0.628 -3.916) 5.875 4.399 ( -1.281 -1.960 3.873) 4.526 4.517 ( -4.875 10.891 -0.977) 11.972 5.247 ( 9.322 -5.204 -1.185) 10.741 5.466 ( -7.575 -21.059 -0.860) 22.397 5.763 ( -14.107 18.962 2.397) 23.755 6.382 ( 23.739 4.364 -0.695) 24.146 7.193 ( -8.813 -16.396 0.786) 18.631 7.466 ( -6.556 12.927 -1.862) 14.613 7.843 ( 18.093 4.502 0.916) 18.667 8.171 ( -0.234 1.139 0.397) 1.229 11.685 ( -7.593 -0.452 -0.352) 7.615 11.866 ( -5.055 -17.846 0.830) 18.567 12.096 ( -1.757 -1.736 -0.435) 2.508 12.181 ( -2.730 1.192 -0.443) 3.011 12.330 ( 2.364 1.864 0.777) 3.109 12.573 ( 13.041 15.238 -0.608) 20.066 14.180 ( 0.028 1.024 -0.123) 1.031 14.208 ( 0.940 -1.130 0.119) 1.475 17.499 ( 4.089 2.107 -0.383) 4.616 18.511 ( -5.248 -4.199 0.418) 6.734 19.117 ( 2.073 -0.358 0.732) 2.228 19.149 ( -2.233 1.789 -0.600) 2.923 27.488 ( -10.899 -13.018 -0.669) 16.991 27.890 ( -0.600 8.340 0.811) 8.401 28.233 ( 3.827 1.499 0.363) 4.126 28.688 ( -2.179 -1.341 0.232) 2.569 28.855 ( 3.899 2.055 -0.696) 4.462 31.800 ( 1.040 0.938 -0.684) 1.558 35.340 ( -3.411 1.536 1.127) 3.907 35.469 ( 6.643 -0.644 -0.821) 6.725 ======================= Grid point 220 (119/294) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -7.690 7.601 -0.405) 10.820 2.197 ( -1.786 0.782 -3.543) 4.044 2.311 ( -5.739 -4.348 -0.332) 7.208 2.777 ( -0.822 3.030 0.929) 3.274 3.287 ( -15.232 -12.019 3.828) 19.776 4.128 ( -14.009 3.727 -3.003) 14.804 4.397 ( -2.806 4.125 -0.241) 4.995 4.511 ( -5.974 6.882 2.200) 9.375 5.120 ( -6.306 -18.328 -0.352) 19.386 5.389 ( 8.260 -4.908 -0.652) 9.630 5.778 ( -4.270 14.696 1.398) 15.367 6.673 ( 2.308 1.697 -2.378) 3.723 6.993 ( 4.609 -11.620 1.877) 12.640 7.547 ( 2.796 13.142 -2.348) 13.639 8.134 ( 7.295 0.445 1.754) 7.516 8.174 ( 2.454 1.839 0.155) 3.070 11.548 ( -4.848 -1.417 -0.554) 5.081 11.637 ( -1.322 -16.922 0.328) 16.977 12.051 ( -0.890 -3.156 -0.546) 3.324 12.136 ( -3.166 1.895 -0.708) 3.757 12.388 ( 2.779 -0.025 1.690) 3.252 12.932 ( 7.710 17.751 -1.052) 19.382 14.177 ( -2.256 0.508 0.174) 2.319 14.233 ( 4.537 -1.330 -0.266) 4.735 17.601 ( 4.852 0.630 -0.432) 4.911 18.377 ( -4.905 -1.971 0.279) 5.294 19.060 ( -2.924 -7.264 -1.021) 7.896 19.190 ( -0.584 7.571 1.583) 7.757 27.165 ( -9.763 -13.016 -0.803) 16.290 27.957 ( -2.089 10.036 1.047) 10.304 28.282 ( -0.498 0.540 1.241) 1.442 28.659 ( 0.613 -2.012 0.368) 2.136 28.920 ( 1.533 1.987 -1.446) 2.896 31.817 ( -0.461 1.749 -2.901) 3.419 35.310 ( -2.647 1.730 2.756) 4.195 35.598 ( 9.787 -1.861 -1.357) 10.054 ======================= Grid point 223 (120/294) ======================= q-point: ( 0.17 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -12.535 10.897 -14.508) 22.053 2.173 ( -0.899 5.992 -0.354) 6.069 2.266 ( -1.788 -1.974 3.788) 4.631 2.856 ( -4.819 16.730 2.828) 17.639 2.892 ( -4.216 0.977 2.964) 5.245 4.061 ( -18.230 11.939 -0.255) 21.793 4.315 ( -3.008 2.973 0.879) 4.320 4.458 ( -9.310 1.586 -4.237) 10.351 4.720 ( 4.207 8.422 1.471) 9.528 5.489 ( 6.134 -2.452 2.057) 6.919 5.851 ( -9.824 1.607 -0.035) 9.955 6.645 ( -0.703 0.107 -1.271) 1.456 6.973 ( 10.855 -6.402 -0.038) 12.602 7.794 ( -12.319 -4.139 -0.160) 12.997 8.131 ( 9.696 -6.447 1.154) 11.700 8.271 ( 0.529 2.104 -1.434) 2.600 11.381 ( 4.529 0.384 -0.374) 4.561 11.766 ( 11.940 4.633 0.356) 12.812 11.928 ( -0.364 1.540 -1.475) 2.163 12.108 ( -1.668 1.268 -1.538) 2.598 12.477 ( 5.326 -2.611 2.139) 6.305 13.012 ( -15.980 -7.703 0.619) 17.751 14.104 ( 0.374 -0.085 0.192) 0.428 14.382 ( 2.352 -2.615 -0.420) 3.543 17.699 ( 5.916 -1.060 0.280) 6.017 18.511 ( -1.982 -3.740 -1.408) 4.461 18.604 ( -4.730 9.513 -0.805) 10.654 19.330 ( -2.651 0.423 1.250) 2.961 26.931 ( 4.401 9.631 0.001) 10.589 27.922 ( -10.408 -3.727 -0.417) 11.063 28.299 ( -3.181 3.871 1.882) 5.352 28.676 ( 4.058 -1.921 1.138) 4.632 28.971 ( -0.947 1.405 -2.198) 2.775 31.707 ( -7.064 4.557 -7.496) 11.263 35.376 ( 0.804 -0.948 7.292) 7.397 35.722 ( 9.027 -8.268 -3.062) 12.619 ======================= Grid point 224 (121/294) ======================= q-point: ( 0.25 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -13.656 12.125 -13.499) 22.710 2.231 ( -1.179 6.514 0.051) 6.621 2.243 ( 0.577 -1.115 4.677) 4.843 2.831 ( -3.202 0.934 2.759) 4.328 2.999 ( -6.526 23.982 2.658) 24.996 3.833 ( -19.755 13.398 -0.169) 23.871 4.251 ( -8.019 1.576 -5.508) 9.855 4.371 ( -1.193 4.410 -0.445) 4.590 4.961 ( 7.187 17.307 2.187) 18.867 5.429 ( -15.070 4.757 3.240) 16.132 5.811 ( 9.694 -10.851 1.057) 14.589 6.620 ( -2.933 3.555 -2.195) 5.104 7.119 ( 13.085 -7.144 -3.264) 15.261 7.505 ( -12.632 -6.000 0.616) 13.998 8.228 ( 5.568 -1.533 2.776) 6.408 8.304 ( 4.467 -5.184 -2.058) 7.146 11.456 ( 2.785 1.631 -0.606) 3.283 11.859 ( -4.959 4.133 -0.330) 6.464 12.084 ( 5.660 4.593 -1.871) 7.525 12.093 ( 4.642 -2.136 -0.166) 5.112 12.525 ( -3.018 -7.982 2.919) 9.019 12.705 ( -0.246 -2.698 -0.163) 2.714 14.121 ( 1.264 -0.018 -0.021) 1.264 14.360 ( -0.285 -4.044 -0.377) 4.071 17.766 ( 4.963 -5.714 -0.155) 7.570 18.415 ( -6.524 -0.628 -0.064) 6.554 18.673 ( 0.876 13.364 -1.659) 13.495 19.275 ( -4.414 -0.227 1.252) 4.594 27.139 ( 3.108 13.039 -0.038) 13.404 27.690 ( -10.135 -0.375 -0.246) 10.145 28.285 ( -2.930 2.067 1.683) 3.961 28.706 ( 1.308 -2.822 1.366) 3.397 28.969 ( 0.643 0.196 -2.349) 2.443 31.624 ( -5.983 7.841 -8.906) 13.289 35.413 ( 2.605 -3.340 8.848) 9.809 35.761 ( 7.376 -10.282 -3.812) 13.216 ======================= Grid point 225 (122/294) ======================= q-point: ( 0.33 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -12.701 9.288 -12.587) 20.150 2.239 ( -3.651 4.209 -0.615) 5.606 2.284 ( 1.573 0.787 3.848) 4.231 2.828 ( -0.488 3.290 1.490) 3.645 3.032 ( -17.014 19.257 4.703) 26.123 3.756 ( -6.460 19.037 0.024) 20.104 4.153 ( -2.916 3.970 -6.189) 7.910 4.413 ( -1.279 6.997 1.254) 7.223 5.175 ( -16.374 1.361 3.382) 16.775 5.305 ( 7.990 19.805 0.906) 21.375 5.846 ( 6.839 -14.308 0.126) 15.859 6.628 ( -0.293 5.393 -0.983) 5.489 7.153 ( -0.433 -11.857 -0.997) 11.907 7.391 ( 4.052 5.520 -2.515) 7.295 8.279 ( 1.737 -8.112 -0.594) 8.317 8.310 ( 4.374 -3.440 1.754) 5.834 11.499 ( 1.632 -0.109 -0.878) 1.856 11.735 ( -11.081 -3.135 0.168) 11.517 12.046 ( -4.660 2.364 -1.675) 5.487 12.144 ( -0.197 -4.791 -0.187) 4.799 12.406 ( 1.544 -2.676 2.373) 3.896 12.949 ( 17.369 4.997 -0.655) 18.086 14.132 ( -0.235 -0.196 0.042) 0.309 14.316 ( 0.991 -4.417 -0.290) 4.536 17.755 ( 0.719 -6.064 -0.460) 6.124 18.308 ( -4.414 1.974 -0.203) 4.839 18.862 ( 4.134 12.539 -1.021) 13.242 19.176 ( -6.467 -0.799 1.604) 6.711 27.121 ( -13.110 3.397 -0.902) 13.573 27.746 ( 9.004 10.829 1.270) 14.140 28.244 ( -4.841 2.150 1.706) 5.565 28.677 ( -1.039 -3.479 0.535) 3.670 28.976 ( 0.938 -0.515 -1.872) 2.156 31.610 ( -2.736 10.027 -8.588) 13.482 35.447 ( 2.693 -5.153 8.835) 10.576 35.748 ( 4.916 -10.825 -4.240) 12.622 ======================= Grid point 226 (123/294) ======================= q-point: ( 0.42 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -7.370 6.226 -9.440) 13.498 2.187 ( -4.665 2.352 -1.013) 5.322 2.334 ( 1.663 0.736 1.725) 2.506 2.850 ( -5.251 8.088 0.071) 9.644 2.954 ( -7.343 11.722 5.146) 14.758 3.898 ( -0.416 16.086 0.971) 16.121 4.189 ( 2.094 5.388 -3.393) 6.703 4.478 ( -2.830 12.720 1.737) 13.146 4.916 ( -11.900 -3.056 1.577) 12.386 5.567 ( 2.535 3.106 -1.172) 4.177 5.836 ( 5.896 1.642 -0.543) 6.145 6.696 ( 2.177 3.290 -0.064) 3.946 7.012 ( -2.342 -8.617 1.289) 9.022 7.585 ( 7.903 9.284 -2.647) 12.476 8.183 ( -0.336 -11.992 0.205) 11.998 8.329 ( 0.113 -1.910 0.495) 1.977 11.474 ( -9.365 -7.994 -0.065) 12.313 11.514 ( 2.390 -2.806 -0.536) 3.725 12.004 ( -3.348 3.190 -1.351) 4.818 12.111 ( -0.602 0.539 -0.612) 1.014 12.429 ( 2.437 -3.540 2.272) 4.862 13.260 ( 10.070 6.195 -1.395) 11.905 14.113 ( -1.553 0.430 0.409) 1.662 14.310 ( 3.278 -4.856 -0.318) 5.867 17.680 ( -2.468 -3.730 -0.007) 4.473 18.345 ( 5.216 4.068 -0.872) 6.672 18.913 ( -8.973 1.759 -2.182) 9.400 19.150 ( 2.547 5.210 3.429) 6.738 26.921 ( -9.687 1.178 -0.698) 9.784 28.035 ( 9.397 5.538 1.331) 10.988 28.191 ( -4.977 7.232 2.090) 9.025 28.618 ( -1.234 -3.877 0.042) 4.069 28.982 ( 0.491 0.704 -1.703) 1.907 31.661 ( -0.502 9.555 -6.573) 11.608 35.455 ( 1.335 -5.560 7.285) 9.261 35.694 ( 2.348 -9.469 -4.037) 10.558 ======================= Grid point 227 (124/294) ======================= q-point: ( 0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -0.008 4.344 -2.782) 5.159 2.156 ( 0.212 1.120 -0.709) 1.343 2.358 ( -0.205 0.866 0.596) 1.071 2.872 ( -0.086 6.909 0.737) 6.949 3.014 ( 0.115 7.916 2.527) 8.311 4.044 ( 0.658 10.914 2.163) 11.146 4.252 ( 1.224 1.715 -1.484) 2.577 4.590 ( -3.411 18.325 1.812) 18.728 4.753 ( -1.621 -3.725 -0.271) 4.071 5.492 ( 1.382 -14.423 -2.181) 14.652 6.046 ( 3.595 14.729 -0.932) 15.190 6.734 ( -0.810 1.341 -1.851) 2.425 6.904 ( -3.047 -5.066 1.936) 6.221 7.782 ( 5.322 6.089 -0.458) 8.100 8.051 ( -1.465 -10.869 1.230) 11.036 8.289 ( -2.960 0.017 -0.494) 3.001 11.306 ( -1.069 -6.135 -0.249) 6.232 11.533 ( 4.052 -4.356 0.257) 5.955 11.974 ( -1.205 0.484 -0.762) 1.506 12.134 ( -0.534 6.099 -1.316) 6.263 12.423 ( 1.530 -5.704 1.609) 6.121 13.374 ( -3.926 6.435 -1.349) 7.658 14.106 ( -0.785 2.049 0.448) 2.240 14.309 ( 2.332 -5.687 -0.113) 6.148 17.627 ( 0.350 -2.739 0.159) 2.766 18.532 ( 9.653 5.857 -1.362) 11.372 18.708 ( -11.297 -1.812 -1.134) 11.498 19.258 ( 1.836 3.546 2.627) 4.779 26.844 ( 0.420 0.651 -0.266) 0.819 28.067 ( -3.977 1.966 0.023) 4.437 28.317 ( 3.702 7.017 2.245) 8.245 28.566 ( 0.108 -4.023 0.311) 4.037 28.996 ( -0.179 1.977 -1.330) 2.389 31.725 ( -0.135 7.112 -3.656) 7.998 35.431 ( -0.250 -4.547 4.811) 6.625 35.623 ( 0.188 -6.474 -3.113) 7.186 ======================= Grid point 228 (125/294) ======================= q-point: ( 0.58 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 6.737 3.621 4.502) 8.876 2.218 ( 5.598 0.796 -0.314) 5.663 2.352 ( -1.473 0.720 0.185) 1.650 2.930 ( -0.829 1.816 1.797) 2.686 3.164 ( 11.415 4.187 -1.685) 12.275 4.124 ( -2.673 6.305 0.910) 6.909 4.278 ( 2.037 -0.986 3.008) 3.764 4.695 ( -3.042 12.033 -1.033) 12.454 4.824 ( 9.757 2.356 0.295) 10.042 5.380 ( 2.974 -12.384 -1.813) 12.864 6.180 ( -1.091 6.900 -1.260) 7.099 6.656 ( -9.028 0.718 -2.103) 9.297 6.833 ( -0.783 -1.310 0.535) 1.617 7.872 ( 2.162 -4.411 -1.081) 5.030 7.925 ( -4.781 -0.046 2.042) 5.198 8.239 ( -3.487 0.489 0.667) 3.584 11.320 ( 7.321 -1.780 -0.172) 7.536 11.569 ( 5.611 -5.655 0.917) 8.019 11.988 ( 2.224 1.140 -0.591) 2.568 12.191 ( -0.247 6.833 -1.435) 6.987 12.382 ( 0.800 -7.044 0.841) 7.139 13.257 ( -15.969 6.494 -0.898) 17.263 14.124 ( -0.221 2.754 0.314) 2.781 14.274 ( 0.438 -5.544 0.118) 5.563 17.621 ( 0.576 -1.769 -0.055) 1.862 18.506 ( -6.038 -3.204 -1.053) 6.916 18.779 ( 9.557 7.143 -0.686) 11.951 19.285 ( -1.233 -0.522 1.781) 2.228 26.947 ( 10.710 0.133 0.091) 10.711 28.026 ( -4.171 4.269 -0.524) 5.992 28.376 ( -1.744 0.515 0.359) 1.853 28.561 ( 2.970 -2.425 1.400) 4.082 28.992 ( -2.108 1.170 -0.712) 2.513 31.767 ( -0.664 3.997 -0.957) 4.163 35.392 ( -1.058 -2.880 2.218) 3.786 35.557 ( -1.447 -2.675 -1.764) 3.515 ======================= Grid point 229 (126/294) ======================= q-point: (-0.33 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 11.662 3.158 8.183) 14.592 2.308 ( -1.418 0.684 -0.487) 1.648 2.358 ( 6.818 -0.498 -0.114) 6.837 2.885 ( -5.017 -0.504 0.492) 5.066 3.465 ( 21.756 -2.743 -5.015) 22.494 4.118 ( -3.992 5.976 3.104) 7.828 4.309 ( 3.579 -5.904 3.277) 7.643 4.681 ( -6.846 2.378 -0.921) 7.305 5.100 ( 18.354 2.353 -0.209) 18.505 5.353 ( 1.343 -0.656 -1.376) 2.032 6.102 ( -5.495 -12.060 -1.725) 13.365 6.477 ( -16.348 12.401 0.297) 20.521 6.884 ( 8.153 0.108 -0.648) 8.180 7.725 ( -4.665 -11.532 0.772) 12.463 7.944 ( -6.081 12.140 -1.152) 13.626 8.168 ( -3.031 -2.680 1.304) 4.251 11.518 ( 13.769 4.040 -0.340) 14.354 11.620 ( 7.202 -7.009 1.292) 10.133 12.056 ( 3.722 0.952 -0.279) 3.852 12.241 ( -0.421 4.596 -1.709) 4.922 12.321 ( 0.139 -6.643 0.770) 6.689 12.967 ( -23.004 5.196 -0.471) 23.589 14.153 ( 0.215 2.868 0.191) 2.883 14.225 ( -0.325 -4.169 0.225) 4.187 17.584 ( -4.070 0.592 -0.212) 4.118 18.446 ( 3.340 -3.510 -0.592) 4.881 18.995 ( 6.785 6.995 -0.472) 9.756 19.222 ( -3.425 -4.441 1.123) 5.720 27.198 ( 17.366 -0.492 0.318) 17.376 27.990 ( -4.643 2.578 -0.717) 5.359 28.305 ( -4.231 -2.184 -0.172) 4.765 28.612 ( 3.665 -0.658 1.202) 3.913 28.940 ( -4.327 0.566 -0.335) 4.377 31.779 ( -0.928 1.402 0.768) 1.849 35.357 ( -0.688 -1.533 0.132) 1.685 35.509 ( -2.724 0.975 -0.446) 2.927 ======================= Grid point 230 (127/294) ======================= q-point: (-0.25 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 12.026 1.927 6.338) 13.730 2.257 ( -3.166 -0.553 0.065) 3.214 2.476 ( 6.891 -3.373 -0.241) 7.677 2.776 ( -6.113 0.626 -1.241) 6.269 3.715 ( 12.837 -11.186 -7.063) 18.433 4.201 ( 5.645 8.114 6.304) 11.724 4.312 ( 4.675 -7.834 2.830) 9.552 4.545 ( -6.102 -3.721 -0.603) 7.173 5.324 ( -4.082 3.984 -1.948) 6.027 5.508 ( 21.249 3.989 0.037) 21.620 5.770 ( -9.434 -22.081 -2.717) 24.165 6.351 ( -17.259 18.485 1.785) 25.352 7.118 ( 16.978 0.010 1.503) 17.044 7.508 ( -6.556 -11.226 0.448) 13.008 7.886 ( -13.415 12.432 -2.167) 18.418 8.147 ( 1.470 0.741 0.391) 1.692 11.659 ( 4.903 -6.543 1.139) 8.255 11.861 ( 17.751 4.973 -0.766) 18.450 12.101 ( 1.057 -2.175 0.184) 2.425 12.250 ( 0.121 0.685 -2.548) 2.641 12.274 ( -0.797 -2.625 1.902) 3.338 12.602 ( -22.155 4.769 -0.227) 22.664 14.172 ( -0.647 -1.231 0.375) 1.441 14.205 ( 0.840 1.821 -0.019) 2.005 17.519 ( -4.681 3.406 -0.199) 5.792 18.509 ( 6.105 -3.135 -0.340) 6.871 19.093 ( -2.944 -4.477 0.210) 5.363 19.154 ( 2.975 3.200 0.239) 4.375 27.500 ( 16.976 -2.788 0.308) 17.206 27.870 ( -7.173 -5.224 -0.205) 8.876 28.234 ( -2.971 2.476 -0.390) 3.887 28.673 ( 3.473 -1.016 0.358) 3.636 28.871 ( -4.629 2.938 0.054) 5.483 31.778 ( -0.236 0.218 1.382) 1.419 35.343 ( 0.831 -1.041 -1.189) 1.785 35.477 ( -3.748 3.680 0.563) 5.282 ======================= Grid point 231 (128/294) ======================= q-point: (-0.17 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 6.766 1.143 -1.220) 6.969 2.207 ( -1.365 -0.518 3.984) 4.243 2.466 ( -1.164 -8.442 0.185) 8.524 2.744 ( 0.020 5.127 -1.833) 5.445 3.629 ( -2.686 -16.150 -1.736) 16.463 4.324 ( 2.265 -1.030 3.714) 4.470 4.405 ( -1.875 -1.906 -1.066) 2.878 4.511 ( 13.553 0.985 1.143) 13.637 5.222 ( -10.117 1.991 -1.721) 10.454 5.383 ( -7.327 -19.560 -1.785) 20.963 5.946 ( 23.304 0.356 -0.464) 23.311 6.259 ( -14.227 19.957 2.075) 24.597 7.163 ( -5.543 -15.858 2.352) 16.962 7.565 ( 17.906 5.599 -0.131) 18.761 7.769 ( -12.512 11.856 -1.772) 17.328 8.194 ( 0.713 3.373 -0.369) 3.468 11.639 ( 1.825 -10.162 0.463) 10.335 11.948 ( -12.225 -5.809 -0.374) 13.540 12.073 ( 1.000 -4.693 -0.258) 4.805 12.241 ( -0.337 0.280 2.050) 2.096 12.312 ( 0.925 2.761 -1.972) 3.517 12.512 ( 8.031 14.536 0.025) 16.607 14.148 ( 0.320 -2.047 0.017) 2.072 14.242 ( -0.495 3.416 0.150) 3.455 17.510 ( -1.151 5.299 -0.196) 5.426 18.530 ( -0.658 -3.869 0.285) 3.935 19.015 ( 2.059 -7.228 0.408) 7.527 19.223 ( -0.028 4.531 -0.399) 4.548 27.500 ( -6.966 -15.548 -0.434) 17.043 27.859 ( 8.976 1.628 0.893) 9.166 28.244 ( -0.455 5.072 -0.351) 5.104 28.683 ( -0.133 -2.913 -0.700) 2.999 28.870 ( -0.673 5.693 0.602) 5.764 31.791 ( 0.948 0.564 1.067) 1.535 35.359 ( 2.772 -1.226 -1.629) 3.441 35.454 ( -3.977 4.821 1.106) 6.346 ======================= Grid point 232 (129/294) ======================= q-point: (-0.08 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 0.206 0.137 1.875) 1.891 2.263 ( 0.108 3.081 -3.078) 4.357 2.339 ( -3.541 -6.203 0.137) 7.144 2.808 ( 1.297 4.051 -0.693) 4.310 3.356 ( -8.155 -16.658 1.723) 18.627 4.287 ( -4.770 1.158 -3.888) 6.262 4.423 ( 3.130 0.242 3.693) 4.847 4.704 ( 1.132 5.755 0.603) 5.896 5.001 ( -3.773 -15.881 -2.662) 16.539 5.185 ( -0.652 -6.249 0.628) 6.314 6.085 ( -8.138 9.561 1.292) 12.621 6.485 ( 17.741 7.349 -0.232) 19.204 6.915 ( -6.284 -10.635 0.903) 12.386 7.694 ( -7.527 9.950 -1.006) 12.517 7.930 ( 16.194 3.084 0.940) 16.512 8.223 ( -1.322 3.855 -0.685) 4.133 11.511 ( -3.053 -13.811 0.249) 14.146 11.665 ( -10.405 -2.583 -0.804) 10.750 12.025 ( -0.500 -4.057 -0.111) 4.090 12.227 ( -3.281 1.692 1.242) 3.895 12.333 ( 2.244 -0.772 -0.287) 2.390 12.912 ( 13.992 16.352 -0.260) 21.523 14.151 ( 2.445 -1.805 -0.200) 3.046 14.244 ( -2.953 2.690 0.025) 3.995 17.566 ( 1.353 3.788 -0.050) 4.023 18.444 ( -4.158 -1.438 0.619) 4.443 18.981 ( 1.609 -9.346 0.106) 9.484 19.265 ( -0.002 5.374 -0.387) 5.388 27.188 ( -9.023 -14.533 -0.456) 17.112 28.005 ( 4.257 2.325 0.933) 4.939 28.304 ( 1.185 4.381 0.149) 4.541 28.636 ( -0.972 -2.708 -0.822) 2.993 28.930 ( 0.739 4.429 0.185) 4.494 31.823 ( 1.020 1.482 -0.118) 1.803 35.386 ( -0.253 0.857 0.220) 0.920 35.460 ( 1.690 1.628 -0.205) 2.355 ======================= Grid point 236 (130/294) ======================= q-point: ( 0.17 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( -4.319 4.313 -14.185) 15.443 2.220 ( 1.104 4.455 -0.489) 4.616 2.324 ( -3.716 -0.201 1.697) 4.090 2.929 ( -1.103 -3.937 3.776) 5.566 3.039 ( 3.087 13.554 1.157) 13.949 4.310 ( -0.201 3.116 -1.308) 3.386 4.383 ( -6.382 -2.030 -3.167) 7.408 4.657 ( -2.873 7.809 -2.285) 8.628 4.780 ( -4.694 8.082 3.835) 10.102 5.208 ( 12.761 -5.144 3.351) 14.161 6.132 ( -7.079 3.215 0.287) 7.780 6.610 ( -3.910 -4.026 -1.146) 5.728 6.825 ( 3.317 -2.049 1.271) 4.101 7.848 ( 7.539 -4.192 0.151) 8.628 7.985 ( -8.643 -4.301 -0.262) 9.658 8.289 ( -0.200 -1.114 -0.913) 1.454 11.317 ( 5.187 5.105 -0.057) 7.278 11.616 ( 7.782 2.594 -0.556) 8.222 11.956 ( -0.229 2.445 0.394) 2.487 12.187 ( -3.568 2.906 -1.423) 4.817 12.369 ( 4.088 -2.745 1.269) 5.084 13.186 ( -12.665 -9.220 1.344) 15.723 14.127 ( -2.479 0.856 0.186) 2.629 14.293 ( 4.472 -2.298 -0.420) 5.045 17.616 ( 2.318 -0.897 0.119) 2.488 18.482 ( -0.633 -5.778 -0.341) 5.822 18.763 ( -1.343 11.548 -0.032) 11.626 19.347 ( -0.424 -2.362 -0.265) 2.414 26.945 ( 5.005 9.335 0.171) 10.593 28.025 ( -4.822 -1.531 -0.512) 5.085 28.368 ( -1.854 -1.148 0.558) 2.251 28.608 ( 2.697 0.676 0.058) 2.781 28.987 ( -1.131 -1.219 -0.609) 1.771 31.815 ( -4.015 1.183 -2.479) 4.865 35.404 ( -1.295 0.093 2.681) 2.979 35.519 ( 4.652 -4.502 -1.375) 6.618 ======================= Grid point 237 (131/294) ======================= q-point: ( 0.25 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -7.390 8.832 -14.052) 18.168 2.245 ( -2.623 -2.132 2.938) 4.479 2.309 ( 1.067 7.290 0.503) 7.384 2.870 ( -1.985 -3.736 2.847) 5.100 3.276 ( 2.399 21.117 2.932) 21.454 4.194 ( -10.122 3.585 -6.762) 12.690 4.386 ( 0.494 3.302 2.106) 3.948 4.474 ( -15.310 1.855 -2.507) 15.624 5.002 ( 8.078 17.279 2.391) 19.223 5.396 ( 12.937 -6.720 4.308) 15.202 5.923 ( -19.972 3.110 0.777) 20.227 6.563 ( 7.678 -10.678 -1.806) 13.276 6.907 ( 5.059 4.284 -1.895) 6.894 7.687 ( -15.484 -5.755 0.408) 16.524 7.984 ( 11.943 -8.390 1.100) 14.637 8.270 ( 0.003 -2.395 -0.550) 2.457 11.453 ( 2.268 6.861 -0.170) 7.228 11.856 ( 14.605 4.010 -0.588) 15.157 11.981 ( -1.548 4.450 0.398) 4.728 12.156 ( -2.990 3.888 -1.951) 5.279 12.424 ( 5.224 -3.971 2.191) 6.918 12.801 ( -15.978 -13.225 0.721) 20.754 14.116 ( -0.198 1.104 0.101) 1.126 14.312 ( 1.349 -3.724 -0.391) 3.980 17.631 ( 2.999 -5.550 -0.073) 6.309 18.469 ( 0.565 1.090 0.003) 1.227 18.823 ( -3.632 10.925 -0.495) 11.524 19.307 ( -1.031 -2.971 0.219) 3.152 27.187 ( 7.330 15.127 0.295) 16.812 27.869 ( -10.651 -1.313 -0.814) 10.763 28.326 ( -1.157 -1.794 0.936) 2.331 28.663 ( 2.280 0.155 0.748) 2.405 28.948 ( -0.357 -2.699 -1.408) 3.065 31.746 ( -4.412 2.643 -3.421) 6.177 35.394 ( -0.450 -1.081 4.338) 4.493 35.549 ( 5.708 -6.717 -2.526) 9.169 ======================= Grid point 238 (132/294) ======================= q-point: ( 0.33 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( -13.581 6.689 -10.515) 18.433 2.243 ( 2.290 0.190 1.721) 2.870 2.374 ( -2.985 6.302 0.521) 6.993 2.833 ( 0.931 -1.937 1.911) 2.876 3.490 ( -7.827 20.708 6.566) 23.091 4.065 ( -9.649 10.794 -3.947) 15.006 4.209 ( -8.554 -1.035 -7.015) 11.110 4.473 ( 2.389 4.282 2.607) 5.553 5.351 ( 7.334 17.723 0.656) 19.192 5.480 ( -4.879 -0.283 4.935) 6.946 5.616 ( -4.906 -8.299 0.088) 9.641 6.608 ( 7.993 -7.368 -2.310) 11.113 7.027 ( 1.396 2.898 -2.510) 4.080 7.420 ( -5.803 -1.899 0.409) 6.119 8.104 ( 10.418 -7.839 0.908) 13.069 8.229 ( -0.402 -5.192 0.594) 5.241 11.518 ( -1.440 5.102 -0.611) 5.336 11.933 ( -10.701 1.379 1.082) 10.844 12.066 ( 3.774 -0.158 -0.428) 3.802 12.160 ( -1.969 4.135 -2.164) 5.065 12.373 ( -2.790 -7.071 2.576) 8.026 12.667 ( 14.540 -1.899 -0.470) 14.671 14.134 ( 0.608 1.312 -0.051) 1.447 14.273 ( -0.709 -4.153 -0.181) 4.217 17.627 ( 4.411 -6.864 -0.525) 8.176 18.446 ( -6.240 3.008 0.429) 6.941 18.917 ( 2.404 10.938 -0.208) 11.201 19.242 ( -3.215 -3.490 0.324) 4.756 27.377 ( -7.446 9.353 -0.435) 11.963 27.737 ( 0.793 5.598 0.235) 5.659 28.298 ( -0.583 -1.691 1.127) 2.114 28.673 ( -1.085 -1.056 0.705) 1.671 28.927 ( 2.038 -2.782 -1.614) 3.808 31.709 ( -2.497 4.449 -3.551) 6.216 35.395 ( 1.008 -2.666 4.758) 5.547 35.562 ( 4.720 -6.914 -2.959) 8.879 ======================= Grid point 239 (133/294) ======================= q-point: ( 0.42 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -12.663 3.933 -5.323) 14.288 2.301 ( 1.063 2.094 -0.191) 2.356 2.327 ( -5.477 1.769 0.630) 5.790 2.875 ( 3.150 0.782 0.642) 3.308 3.383 ( -21.211 11.676 4.880) 24.699 4.079 ( -2.572 11.409 -3.699) 12.266 4.159 ( 2.266 1.961 -0.467) 3.032 4.594 ( 3.473 8.524 1.426) 9.314 5.151 ( -17.812 -3.000 0.640) 18.074 5.500 ( -0.313 -10.396 -1.432) 10.499 5.784 ( 10.612 16.906 1.521) 20.019 6.671 ( 6.038 -2.919 -2.389) 7.120 6.947 ( -3.229 -7.133 1.967) 8.073 7.511 ( 7.524 8.061 -2.081) 11.221 8.134 ( -2.249 -4.182 0.760) 4.809 8.211 ( 7.870 -8.286 0.829) 11.458 11.509 ( -3.781 2.210 -0.516) 4.409 11.635 ( -15.233 -6.030 0.303) 16.386 12.063 ( -2.294 -0.387 -0.332) 2.350 12.164 ( -1.333 6.455 -1.542) 6.769 12.359 ( 2.161 -3.851 2.305) 4.981 13.009 ( 21.048 1.001 -1.014) 21.096 14.154 ( -0.674 2.363 0.158) 2.462 14.224 ( 0.589 -4.322 -0.215) 4.368 17.640 ( 3.098 -4.529 -0.501) 5.510 18.372 ( -4.187 3.997 0.257) 5.794 19.051 ( -2.957 5.125 -1.260) 6.049 19.150 ( 0.488 -1.084 1.884) 2.228 27.167 ( -16.335 1.884 -0.806) 16.463 27.948 ( 8.487 7.295 1.125) 11.247 28.285 ( -0.319 0.974 1.193) 1.573 28.620 ( -2.686 -2.218 0.071) 3.484 28.949 ( 2.809 -0.732 -1.191) 3.138 31.724 ( -0.234 4.950 -2.756) 5.671 35.401 ( 1.404 -3.491 4.012) 5.501 35.559 ( 3.214 -5.399 -2.730) 6.851 ======================= Grid point 240 (134/294) ======================= q-point: ( 0.50 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -6.541 3.220 2.597) 7.739 2.218 ( -5.833 1.057 -0.145) 5.930 2.353 ( 1.577 0.363 -0.048) 1.619 2.925 ( 0.772 1.075 -0.435) 1.393 3.174 ( -11.729 5.264 1.834) 12.986 4.154 ( -0.193 8.447 -0.875) 8.495 4.216 ( 2.368 -0.519 2.315) 3.352 4.743 ( 0.347 7.528 0.779) 7.576 4.860 ( -10.228 -0.524 -0.293) 10.245 5.348 ( -2.078 -10.989 -2.725) 11.511 6.091 ( 5.794 12.809 -0.010) 14.058 6.740 ( 3.597 0.845 -2.504) 4.464 6.861 ( 0.731 -7.353 2.391) 7.767 7.706 ( 6.292 5.526 -1.154) 8.453 8.039 ( -3.310 -4.521 2.121) 5.991 8.263 ( 4.377 -3.304 -0.506) 5.507 11.334 ( -8.979 -3.845 0.011) 9.768 11.503 ( -1.813 0.882 -0.143) 2.021 12.006 ( -2.837 -0.701 -0.363) 2.945 12.215 ( -0.928 7.729 -1.391) 7.908 12.346 ( 1.211 -5.931 1.859) 6.333 13.322 ( 13.125 0.323 -1.283) 13.191 14.162 ( -1.530 3.407 0.314) 3.748 14.209 ( 2.170 -4.067 -0.152) 4.612 17.623 ( -1.043 -1.656 -0.075) 1.958 18.431 ( 5.954 4.616 -0.128) 7.535 18.885 ( -11.197 -3.160 -0.806) 11.662 19.249 ( 3.518 2.622 1.513) 4.641 26.937 ( -10.148 0.776 -0.424) 10.187 28.078 ( 2.334 -0.328 0.602) 2.432 28.341 ( 2.454 4.668 1.198) 5.408 28.551 ( -2.233 -2.356 -0.113) 3.248 28.992 ( 1.970 1.000 -0.699) 2.317 31.769 ( 0.622 3.773 -1.112) 3.983 35.397 ( 0.837 -3.239 2.319) 4.070 35.553 ( 1.632 -2.396 -1.863) 3.445 ======================= Grid point 241 (135/294) ======================= q-point: (-0.42 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 0.349 2.946 10.495) 10.907 2.170 ( -0.050 0.349 0.284) 0.452 2.368 ( 0.129 -0.254 -0.182) 0.338 2.932 ( 0.834 -0.402 0.032) 0.926 3.092 ( -1.116 -1.599 -1.855) 2.692 4.178 ( -0.647 -1.192 2.361) 2.722 4.279 ( 1.600 1.314 2.410) 3.177 4.675 ( -1.427 1.051 -1.095) 2.083 4.857 ( 0.731 -3.129 -1.195) 3.429 5.266 ( 0.400 2.266 -1.492) 2.743 6.208 ( -0.354 0.313 -0.795) 0.925 6.777 ( -1.354 4.695 -3.190) 5.836 6.824 ( 0.898 -4.999 1.254) 5.232 7.805 ( 0.372 1.354 -0.367) 1.451 7.972 ( -0.299 -1.515 2.517) 2.953 8.289 ( 0.207 0.192 -0.171) 0.330 11.234 ( -0.024 0.131 0.016) 0.134 11.496 ( 0.306 -0.055 0.557) 0.639 11.973 ( -0.056 0.231 -0.381) 0.449 12.268 ( -1.069 6.454 -1.628) 6.742 12.300 ( 0.753 -6.497 1.381) 6.685 13.437 ( 0.026 0.374 -1.365) 1.415 14.168 ( 0.166 -0.546 -0.047) 0.572 14.209 ( 0.005 0.459 0.532) 0.703 17.598 ( -0.093 -0.091 -0.059) 0.143 18.613 ( -0.936 0.723 -0.683) 1.366 18.669 ( 0.712 0.314 0.010) 0.778 19.295 ( 0.150 -1.005 1.080) 1.483 26.851 ( 0.159 0.126 -0.010) 0.203 28.085 ( -0.403 0.037 -0.154) 0.433 28.394 ( -0.337 -1.449 -0.332) 1.524 28.520 ( 0.650 0.369 1.161) 1.381 29.018 ( -0.062 0.574 -0.202) 0.612 31.803 ( 0.053 1.725 0.910) 1.951 35.380 ( -0.044 -2.233 0.157) 2.239 35.558 ( 0.038 1.414 -0.630) 1.548 ======================= Grid point 242 (136/294) ======================= q-point: (-0.33 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 6.405 1.706 13.913) 15.412 2.222 ( 5.372 -0.407 0.217) 5.392 2.349 ( -1.447 -1.259 -0.298) 1.941 2.934 ( -1.260 -2.163 0.270) 2.518 3.103 ( 11.071 -7.472 -4.753) 14.177 4.150 ( 2.097 -8.057 1.144) 8.404 4.278 ( -3.111 1.138 5.714) 6.605 4.706 ( -0.941 -7.947 -2.885) 8.506 4.846 ( 11.632 -1.268 -1.465) 11.792 5.376 ( 1.733 12.326 -0.237) 12.450 6.077 ( -6.781 -12.376 -1.285) 14.170 6.775 ( -2.150 -2.879 0.568) 3.638 6.806 ( -1.458 9.284 -2.457) 9.714 7.737 ( -6.226 -3.121 1.597) 7.145 8.024 ( 3.185 3.277 0.788) 4.638 8.264 ( -4.544 2.475 -0.328) 5.185 11.334 ( 8.740 4.015 0.038) 9.618 11.516 ( 2.309 -0.984 1.044) 2.719 12.006 ( 2.810 1.102 -0.306) 3.034 12.233 ( 0.276 -6.630 0.008) 6.636 12.315 ( -1.002 4.822 -0.635) 4.966 13.322 ( -13.006 0.289 -1.313) 13.076 14.159 ( 1.518 -3.338 0.094) 3.668 14.217 ( -2.006 3.876 0.646) 4.412 17.619 ( 1.092 1.622 -0.450) 2.006 18.430 ( -6.356 -3.782 -0.173) 7.399 18.892 ( 11.026 4.289 -0.107) 11.832 19.242 ( -3.194 -4.579 0.890) 5.653 26.945 ( 10.416 -0.508 0.288) 10.432 28.065 ( -2.891 0.236 -0.618) 2.966 28.320 ( -1.895 -5.909 -0.767) 6.252 28.568 ( 2.209 1.781 1.397) 3.163 29.000 ( -2.125 0.052 -0.013) 2.126 31.809 ( -0.896 -0.229 2.653) 2.810 35.354 ( -0.630 -1.160 -1.909) 2.321 35.577 ( -1.671 5.011 0.568) 5.313 ======================= Grid point 243 (137/294) ======================= q-point: (-0.25 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 10.446 -0.628 11.608) 15.629 2.287 ( -1.820 -2.426 -1.189) 3.257 2.325 ( 6.120 -2.842 0.369) 6.758 2.852 ( -3.937 -2.145 -1.987) 4.904 3.280 ( 19.208 -11.466 -4.488) 22.816 4.099 ( 4.441 -12.933 1.467) 13.753 4.276 ( -0.490 1.693 7.109) 7.324 4.546 ( -2.876 -10.267 -3.218) 11.137 5.132 ( 18.418 1.666 -0.854) 18.513 5.499 ( -1.487 8.895 -1.899) 9.216 5.755 ( -11.877 -15.205 -0.998) 19.320 6.708 ( -5.015 2.217 1.170) 5.606 6.928 ( 5.639 8.908 0.201) 10.545 7.554 ( -9.291 -6.576 2.036) 11.563 8.122 ( 2.823 5.051 -0.504) 5.808 8.186 ( -8.763 6.111 -1.367) 10.770 11.526 ( 4.315 -1.949 1.115) 4.865 11.631 ( 14.182 5.596 -0.101) 15.247 12.066 ( 2.338 0.572 -0.045) 2.407 12.182 ( 1.405 -5.156 -0.157) 5.346 12.327 ( -2.036 2.910 -0.297) 3.564 13.007 ( -20.929 -0.801 -1.199) 20.978 14.157 ( 0.942 -2.399 0.462) 2.618 14.230 ( -0.921 4.374 0.321) 4.481 17.638 ( -2.788 4.738 -0.698) 5.541 18.369 ( 3.711 -3.602 0.010) 5.172 19.083 ( 3.490 -3.271 1.611) 5.047 19.120 ( -0.860 -1.178 -0.782) 1.655 27.179 ( 16.396 -1.659 0.366) 16.484 27.932 ( -8.119 -7.416 -0.296) 11.000 28.265 ( 0.627 -1.613 -0.685) 1.862 28.628 ( 2.122 1.466 0.765) 2.690 28.961 ( -2.776 1.625 -0.031) 3.217 31.792 ( -0.950 -1.291 3.624) 3.962 35.326 ( -0.449 -0.612 -3.293) 3.380 35.599 ( -3.526 7.460 1.372) 8.364 ======================= Grid point 244 (138/294) ======================= q-point: (-0.17 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 11.191 -2.598 5.363) 12.679 2.218 ( -1.602 -3.208 0.113) 3.587 2.369 ( 3.046 -6.486 0.031) 7.166 2.785 ( -1.276 1.095 -2.857) 3.315 3.391 ( 9.089 -17.806 -2.972) 20.211 4.119 ( 13.604 -12.908 2.100) 18.870 4.350 ( 4.585 0.837 5.476) 7.191 4.412 ( -2.296 -4.083 -3.155) 5.648 5.316 ( -8.963 -20.494 -2.666) 22.526 5.428 ( 5.466 3.311 0.295) 6.397 5.607 ( 5.022 7.464 -0.733) 9.025 6.651 ( -7.822 7.472 1.742) 10.956 7.096 ( 0.032 -1.568 4.073) 4.364 7.404 ( 3.694 1.270 -1.191) 4.083 8.080 ( -11.072 8.445 -1.412) 13.997 8.209 ( 1.545 4.720 -1.219) 5.114 11.532 ( 0.981 -5.378 0.677) 5.509 11.923 ( 10.052 -0.614 0.059) 10.071 12.073 ( -2.957 0.079 0.236) 2.968 12.198 ( 2.596 -3.581 1.038) 4.543 12.329 ( 1.606 6.358 -1.274) 6.681 12.664 ( -13.846 1.938 -0.779) 14.002 14.138 ( -0.839 -1.446 0.287) 1.697 14.278 ( 0.708 4.349 0.303) 4.417 17.627 ( -4.342 6.991 -0.577) 8.250 18.443 ( 6.301 -2.744 0.181) 6.875 18.938 ( -2.975 -10.054 1.901) 10.656 19.225 ( 3.689 2.576 -1.288) 4.680 27.382 ( 6.413 -9.646 -0.000) 11.583 27.740 ( 0.558 -5.215 0.435) 5.262 28.279 ( 0.892 1.230 -0.606) 1.636 28.663 ( 0.367 0.332 -0.339) 0.599 28.947 ( -1.733 3.574 0.359) 3.989 31.785 ( 0.379 -0.965 3.623) 3.768 35.309 ( 0.762 -0.764 -3.626) 3.783 35.608 ( -5.294 8.291 1.662) 9.977 ======================= Grid point 245 (139/294) ======================= q-point: (-0.08 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 7.737 -0.724 -3.704) 8.608 2.187 ( 1.814 -3.494 4.627) 6.075 2.311 ( -0.811 -7.033 0.495) 7.097 2.809 ( 2.010 2.690 -2.656) 4.281 3.245 ( -0.384 -20.585 -0.186) 20.589 4.282 ( 13.915 -8.157 2.163) 16.274 4.327 ( -1.366 -1.863 -2.976) 3.767 4.505 ( 10.287 -1.014 -1.112) 10.396 4.974 ( -7.715 -15.912 0.523) 17.692 5.366 ( -12.795 7.458 1.405) 14.876 5.918 ( 20.608 -2.916 0.318) 20.815 6.602 ( -8.476 11.048 1.845) 14.046 6.936 ( -7.356 -6.288 0.866) 9.716 7.683 ( 16.466 5.862 0.106) 17.479 7.966 ( -11.562 8.855 -0.599) 14.576 8.259 ( 0.491 2.875 -1.595) 3.324 11.457 ( -2.576 -6.865 0.268) 7.337 11.849 ( -13.567 -4.412 -1.084) 14.308 11.988 ( -0.065 -3.328 0.985) 3.471 12.196 ( 3.387 -4.163 1.697) 5.629 12.387 ( -4.497 4.076 -1.194) 6.186 12.794 ( 15.448 13.087 0.077) 20.247 14.114 ( -0.029 -1.228 -0.090) 1.232 14.319 ( -1.453 3.835 0.195) 4.105 17.629 ( -2.961 5.493 -0.297) 6.247 18.479 ( -0.164 -0.558 0.987) 1.146 18.841 ( 2.474 -10.342 1.281) 10.711 19.286 ( 1.760 2.158 -1.758) 3.293 27.183 ( -7.469 -14.895 -0.100) 16.663 27.884 ( 10.876 1.043 0.577) 10.941 28.310 ( 1.602 1.129 -0.572) 2.042 28.643 ( -2.033 -0.416 -1.174) 2.384 28.971 ( -0.168 3.320 0.777) 3.414 31.812 ( 1.700 0.267 2.686) 3.190 35.317 ( 2.710 -1.408 -3.044) 4.312 35.590 ( -6.442 7.545 1.628) 10.054 ======================= Grid point 248 (140/294) ======================= q-point: ( 0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( -0.301 0.128 -12.816) 12.820 2.225 ( 2.642 3.217 -0.002) 4.163 2.335 ( 2.464 -2.288 1.844) 3.835 2.881 ( 2.546 -5.158 3.506) 6.736 3.031 ( 10.331 8.840 -0.981) 13.632 4.221 ( 8.161 -3.575 -1.393) 9.018 4.435 ( -2.219 -2.655 -4.165) 5.415 4.628 ( 9.042 -5.270 0.815) 10.498 4.815 ( 6.542 10.980 0.437) 12.789 5.283 ( -12.418 8.651 4.978) 15.931 6.048 ( 6.595 -11.225 0.234) 13.021 6.742 ( 5.272 -0.901 1.859) 5.662 6.789 ( -10.821 4.367 -0.936) 11.706 7.751 ( -4.313 -5.239 0.560) 6.809 8.085 ( -1.305 1.595 -2.246) 3.048 8.256 ( -1.501 -4.220 0.070) 4.479 11.336 ( 0.519 9.796 -0.047) 9.810 11.546 ( 2.662 1.064 -0.566) 2.922 11.988 ( 0.110 3.332 0.692) 3.405 12.198 ( 2.902 -2.656 1.308) 4.145 12.344 ( -2.190 1.617 -1.597) 3.157 13.254 ( -5.744 -10.729 2.310) 12.387 14.166 ( 2.302 0.242 -0.209) 2.324 14.234 ( -3.342 -0.376 -0.294) 3.376 17.604 ( -0.847 0.820 0.351) 1.230 18.422 ( 0.153 -6.560 0.252) 6.567 18.875 ( 1.968 11.405 0.756) 11.598 19.298 ( 1.458 -4.875 -2.046) 5.484 26.944 ( 5.603 8.702 0.334) 10.355 28.060 ( -1.474 -1.964 -0.349) 2.480 28.323 ( 3.648 -4.381 -0.891) 5.770 28.605 ( -0.409 2.397 -0.708) 2.533 28.985 ( -0.922 -2.327 0.783) 2.623 31.862 ( -1.687 -0.527 -0.168) 1.775 35.335 ( 4.249 -2.932 -0.949) 5.249 35.567 ( -7.513 2.564 1.153) 8.021 ======================= Grid point 249 (141/294) ======================= q-point: ( 0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 0.732 4.140 -10.973) 11.751 2.295 ( -2.245 -0.940 0.412) 2.468 2.343 ( 2.581 5.629 0.557) 6.217 2.849 ( -0.504 -5.898 2.705) 6.508 3.351 ( 10.914 15.851 1.412) 19.297 4.303 ( -3.593 0.028 -7.596) 8.403 4.345 ( 3.756 -0.448 1.570) 4.095 4.678 ( -1.129 -4.724 -1.214) 5.007 5.070 ( 5.729 17.881 2.510) 18.943 5.228 ( -0.792 2.712 5.085) 5.817 6.069 ( 8.507 -10.828 -0.126) 13.771 6.486 ( -19.506 -6.020 -0.183) 20.415 6.894 ( 5.709 9.176 -1.104) 10.863 7.717 ( 7.552 -9.043 1.159) 11.838 7.923 ( -15.381 -2.723 0.154) 15.621 8.215 ( 1.850 -4.298 -1.365) 4.874 11.510 ( 3.195 13.705 0.129) 14.073 11.663 ( 10.005 2.619 -1.017) 10.392 12.035 ( 0.531 4.311 0.824) 4.421 12.213 ( 0.142 -0.122 -0.068) 0.199 12.334 ( 1.131 -1.043 -0.139) 1.544 12.931 ( -14.668 -16.414 1.498) 22.064 14.154 ( -2.443 1.737 0.111) 3.000 14.238 ( 2.926 -2.628 -0.480) 3.963 17.572 ( -1.605 -3.509 0.471) 3.887 18.436 ( 4.079 1.475 -0.072) 4.338 18.982 ( -2.302 9.463 0.238) 9.742 19.259 ( 1.229 -5.643 -0.941) 5.852 27.197 ( 8.899 14.795 0.392) 17.270 27.989 ( -4.363 -2.489 -0.632) 5.063 28.302 ( -0.202 -4.707 -0.048) 4.712 28.641 ( 1.756 2.314 -0.371) 2.929 28.930 ( -2.009 -3.750 0.187) 4.258 31.813 ( -2.848 -0.179 -1.077) 3.050 35.373 ( 3.611 -2.842 -0.838) 4.671 35.478 ( -4.195 -0.302 1.343) 4.415 ======================= Grid point 250 (142/294) ======================= q-point: ( 0.33 0.67 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( -6.000 5.647 -8.980) 12.187 2.222 ( -1.191 -1.493 1.919) 2.707 2.468 ( 1.185 7.983 0.398) 8.081 2.782 ( 0.138 -6.377 1.698) 6.600 3.699 ( 7.720 16.383 5.304) 18.871 4.195 ( -5.615 3.247 -8.378) 10.596 4.438 ( 3.753 0.364 1.757) 4.160 4.474 ( -15.061 -0.643 -2.230) 15.238 5.299 ( 8.041 -5.039 4.974) 10.714 5.414 ( 8.265 21.086 1.205) 22.680 5.950 ( -22.724 -0.850 -0.201) 22.741 6.227 ( 13.482 -19.749 -0.910) 23.930 7.108 ( 3.666 15.440 -2.702) 16.098 7.578 ( -16.192 -5.185 0.864) 17.023 7.804 ( 12.190 -11.208 1.645) 16.641 8.190 ( 0.041 -3.651 -0.667) 3.711 11.633 ( -2.386 9.902 -0.114) 10.186 11.939 ( 12.961 5.961 -1.093) 14.308 12.088 ( -1.420 4.778 1.088) 5.102 12.211 ( -0.497 1.911 -1.052) 2.237 12.350 ( 1.471 -4.354 1.774) 4.926 12.511 ( -9.644 -15.287 -0.132) 18.076 14.147 ( -0.534 1.945 0.009) 2.017 14.239 ( 0.603 -3.207 -0.210) 3.270 17.512 ( 0.820 -5.212 -0.042) 5.276 18.530 ( 1.128 3.950 0.307) 4.119 19.011 ( -2.349 7.636 0.105) 7.989 19.223 ( 0.331 -4.946 -0.393) 4.973 27.508 ( 6.616 15.638 0.315) 16.983 27.844 ( -8.592 -1.440 -0.480) 8.725 28.251 ( 0.953 -5.456 0.309) 5.548 28.693 ( 0.476 2.468 0.203) 2.522 28.857 ( -0.109 -5.067 -0.584) 5.101 31.767 ( -2.142 0.980 -1.177) 2.633 35.389 ( -0.053 -0.966 0.859) 1.294 35.436 ( 1.847 -3.426 -0.338) 3.907 ======================= Grid point 251 (143/294) ======================= q-point: ( 0.42 0.67 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -13.814 2.453 -2.086) 14.184 2.258 ( 3.384 0.415 -0.136) 3.412 2.479 ( -6.803 3.389 0.012) 7.600 2.790 ( 5.531 -2.588 0.295) 6.113 3.877 ( -15.614 12.197 7.915) 21.336 4.047 ( -1.033 -5.647 -8.290) 10.084 4.292 ( -5.168 7.381 1.337) 9.109 4.551 ( 6.770 2.332 -0.103) 7.161 5.359 ( 3.850 -6.158 0.933) 7.322 5.482 ( -21.469 -3.425 -2.185) 21.850 5.820 ( 8.292 20.862 1.977) 22.536 6.323 ( 17.131 -17.321 -0.770) 24.374 7.106 ( -14.429 2.169 0.380) 14.596 7.492 ( 4.987 10.098 -1.104) 11.316 7.915 ( 13.193 -12.665 0.645) 18.300 8.146 ( -1.514 -1.487 0.303) 2.144 11.644 ( -5.326 6.556 -0.312) 8.452 11.879 ( -18.477 -5.288 0.884) 19.239 12.093 ( -0.681 2.086 -0.566) 2.266 12.237 ( 0.094 4.650 -1.791) 4.983 12.297 ( 1.384 -2.300 2.116) 3.418 12.599 ( 22.015 -4.727 -0.523) 22.523 14.166 ( 0.374 1.001 -0.127) 1.076 14.207 ( -0.701 -1.398 0.129) 1.569 17.516 ( 4.667 -3.304 -0.405) 5.732 18.517 ( -5.920 3.194 0.419) 6.740 19.096 ( 3.252 6.206 0.531) 7.027 19.148 ( -3.292 -5.067 -0.397) 6.055 27.489 ( -17.174 2.874 -0.691) 17.426 27.881 ( 7.647 5.593 0.876) 9.514 28.242 ( 3.227 -3.237 0.330) 4.583 28.669 ( -4.062 0.121 0.067) 4.064 28.865 ( 4.768 -1.777 -0.547) 5.117 31.756 ( -0.413 1.707 -0.653) 1.874 35.371 ( -0.233 -1.735 1.565) 2.349 35.458 ( 3.459 -1.848 -1.276) 4.125 ======================= Grid point 252 (144/294) ======================= q-point: (-0.50 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -11.142 1.714 5.509) 12.547 2.311 ( 2.471 -0.835 -0.356) 2.633 2.355 ( -7.994 0.539 -0.281) 8.017 2.868 ( 4.658 -1.309 -0.969) 4.934 3.515 ( -22.878 -1.108 -0.781) 22.918 4.113 ( 5.231 1.362 1.889) 5.726 4.282 ( -3.811 1.561 2.024) 4.589 4.692 ( 7.270 -3.124 0.093) 7.913 5.089 ( -18.092 -2.267 -1.503) 18.295 5.338 ( -1.570 1.167 -2.567) 3.228 6.125 ( 4.962 10.912 0.485) 11.997 6.473 ( 16.556 -9.610 -0.144) 19.143 6.905 ( -8.106 -0.507 1.265) 8.219 7.704 ( 4.880 12.159 -1.180) 13.154 7.966 ( 6.248 -12.933 0.901) 14.391 8.153 ( 2.689 1.957 -0.057) 3.326 11.523 ( -13.694 -4.304 0.076) 14.354 11.607 ( -7.596 7.351 0.064) 10.571 12.053 ( -3.380 -0.641 -0.505) 3.477 12.275 ( 0.920 -4.619 1.482) 4.938 12.304 ( -0.764 6.553 -0.853) 6.653 12.962 ( 23.156 -4.962 -0.951) 23.701 14.148 ( -0.270 -2.775 -0.219) 2.797 14.226 ( 0.224 4.254 0.353) 4.274 17.583 ( 4.279 -0.552 -0.311) 4.325 18.457 ( -3.372 3.847 0.399) 5.131 18.999 ( -6.990 -6.161 -0.114) 9.318 19.213 ( 3.558 3.165 0.351) 4.774 27.190 ( -17.231 0.796 -0.486) 17.256 28.008 ( 4.564 -2.660 0.927) 5.364 28.307 ( 4.471 1.194 0.083) 4.629 28.596 ( -3.880 0.064 -0.271) 3.890 28.943 ( 4.259 0.500 0.003) 4.289 31.777 ( 0.914 1.125 0.574) 1.559 35.360 ( 0.670 -2.089 0.351) 2.222 35.507 ( 2.740 1.442 -0.638) 3.161 ======================= Grid point 253 (145/294) ======================= q-point: (-0.42 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -4.732 1.434 13.757) 14.619 2.225 ( -5.502 -0.447 0.381) 5.533 2.340 ( 1.704 -1.514 -0.981) 2.481 2.900 ( 1.528 -2.820 -1.386) 3.494 3.153 ( -12.491 -6.914 -2.493) 14.492 4.175 ( -1.874 -7.157 5.185) 9.035 4.246 ( 2.347 3.184 0.405) 3.976 4.673 ( 4.030 -18.223 -2.746) 18.865 4.826 ( -11.512 2.578 0.155) 11.798 5.375 ( -1.453 13.372 -2.162) 13.623 6.190 ( 0.938 -6.601 -0.315) 6.674 6.679 ( 9.995 0.585 0.277) 10.016 6.818 ( -2.228 0.363 -1.023) 2.478 7.881 ( 0.491 12.592 -0.747) 12.624 7.920 ( 2.448 -8.852 1.972) 9.394 8.232 ( 4.328 -0.205 0.040) 4.333 11.323 ( -7.318 1.991 0.114) 7.585 11.563 ( -5.320 5.598 0.365) 7.732 11.991 ( -2.143 -0.551 -0.303) 2.233 12.223 ( 0.113 -7.023 1.719) 7.231 12.356 ( -1.151 6.962 -1.624) 7.241 13.253 ( 16.188 -6.051 -1.286) 17.330 14.119 ( 0.223 -2.798 -0.171) 2.812 14.278 ( -0.457 5.668 0.474) 5.706 17.621 ( -0.558 1.588 -0.116) 1.687 18.521 ( 6.113 4.069 0.364) 7.352 18.788 ( -9.921 -6.006 0.047) 11.598 19.268 ( 1.392 -1.333 0.212) 1.939 26.945 ( -10.457 0.113 -0.164) 10.458 28.037 ( 3.691 -4.436 0.522) 5.794 28.362 ( 1.021 -2.175 -0.874) 2.556 28.551 ( -1.991 2.282 0.370) 3.052 29.004 ( 2.005 -0.009 0.473) 2.060 31.804 ( 1.069 -0.462 2.505) 2.762 35.352 ( 0.704 -1.508 -1.721) 2.394 35.578 ( 1.616 5.266 0.410) 5.524 ======================= Grid point 254 (146/294) ======================= q-point: (-0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 0.375 -0.854 17.875) 17.899 2.171 ( -0.107 -0.646 0.698) 0.957 2.338 ( 0.505 -2.283 -1.390) 2.721 2.851 ( 1.087 -8.680 -1.501) 8.876 2.948 ( -1.477 -8.278 -3.616) 9.153 4.050 ( -1.972 -10.928 2.637) 11.414 4.307 ( 1.140 -3.287 3.370) 4.844 4.542 ( 4.372 -17.305 -2.198) 17.984 4.743 ( -0.885 4.026 -1.371) 4.344 5.505 ( -0.226 14.165 -1.013) 14.203 6.050 ( -4.112 -13.866 -0.508) 14.472 6.740 ( -0.402 -2.815 -1.258) 3.109 6.866 ( 3.083 6.344 -1.578) 7.228 7.830 ( -3.718 -6.371 3.904) 8.346 8.031 ( 1.420 11.741 -0.759) 11.851 8.291 ( 2.396 0.082 -0.231) 2.409 11.312 ( 0.983 6.430 0.289) 6.511 11.536 ( -3.492 4.133 0.606) 5.444 11.981 ( 1.024 0.602 -0.089) 1.191 12.162 ( 0.272 -6.339 1.301) 6.477 12.388 ( -1.697 5.265 -1.607) 5.761 13.370 ( 4.038 -5.749 -1.732) 7.236 14.102 ( 0.943 -2.216 0.106) 2.411 14.315 ( -2.270 5.708 0.509) 6.164 17.623 ( -0.483 2.565 -0.255) 2.622 18.549 ( -10.404 -4.753 0.191) 11.439 18.725 ( 11.532 3.005 0.254) 11.920 19.234 ( -1.477 -5.507 0.538) 5.727 26.848 ( -0.104 -0.476 0.115) 0.501 28.067 ( 3.324 -1.989 0.020) 3.874 28.277 ( -3.745 -8.259 -1.403) 9.176 28.575 ( 0.566 3.357 1.073) 3.569 29.015 ( -0.138 -0.885 0.535) 1.043 31.815 ( 0.246 -2.206 4.730) 5.224 35.340 ( 0.134 -0.530 -4.110) 4.146 35.667 ( -0.083 8.786 1.396) 8.897 ======================= Grid point 255 (147/294) ======================= q-point: (-0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 5.372 -5.165 15.625) 17.311 2.200 ( 4.043 -2.165 0.065) 4.587 2.293 ( -1.864 -3.084 -2.063) 4.152 2.842 ( 12.464 -14.636 -3.947) 19.625 2.855 ( -0.297 -4.994 -1.046) 5.111 3.903 ( 0.391 -17.405 1.440) 17.469 4.255 ( 2.047 -9.783 2.551) 10.316 4.466 ( -0.001 -6.448 0.847) 6.503 4.871 ( 11.798 1.391 -2.592) 12.159 5.555 ( -3.590 -5.742 -2.340) 7.165 5.855 ( -6.018 1.612 1.296) 6.364 6.682 ( -0.765 -4.208 -1.114) 4.420 6.991 ( 3.118 9.425 -0.776) 9.958 7.668 ( -7.609 -8.708 5.133) 12.652 8.174 ( -0.041 13.896 -0.752) 13.917 8.306 ( -1.100 1.078 -1.669) 2.271 11.478 ( 9.125 7.836 0.350) 12.033 11.527 ( -2.037 2.983 0.681) 3.675 12.020 ( 2.974 -0.872 0.199) 3.105 12.127 ( 0.490 -1.962 0.805) 2.177 12.391 ( -2.190 3.043 -1.064) 3.897 13.252 ( -10.146 -5.616 -2.152) 11.794 14.114 ( 1.835 -0.645 0.437) 1.994 14.318 ( -3.282 4.818 0.464) 5.848 17.673 ( 2.488 3.828 -0.695) 4.618 18.358 ( -5.813 -3.260 0.346) 6.674 18.948 ( 10.289 1.079 0.501) 10.358 19.116 ( -3.584 -8.413 0.863) 9.185 26.931 ( 9.947 -1.056 0.224) 10.005 28.013 ( -9.603 -6.849 -0.622) 11.812 28.167 ( 5.530 -6.642 -0.270) 8.647 28.628 ( 1.077 3.217 0.954) 3.524 28.999 ( -0.862 -0.026 0.012) 0.862 31.800 ( -0.586 -3.354 6.536) 7.370 35.318 ( -0.516 0.128 -6.003) 6.026 35.752 ( -2.462 11.128 1.956) 11.564 ======================= Grid point 256 (148/294) ======================= q-point: (-0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 9.934 -9.199 9.290) 16.420 2.206 ( -0.923 -3.723 -3.394) 5.122 2.249 ( 3.235 -4.559 0.258) 5.596 2.782 ( -0.427 -3.036 -3.357) 4.546 2.975 ( 16.499 -16.710 -0.443) 23.487 3.755 ( 7.673 -21.618 -0.216) 22.941 4.250 ( 5.585 -6.874 3.566) 9.548 4.410 ( -1.412 -2.049 0.421) 2.524 5.100 ( 14.354 -6.408 -3.395) 16.082 5.292 ( -5.254 -15.642 -0.196) 16.502 5.853 ( -8.623 14.085 0.739) 16.532 6.649 ( 2.519 -4.849 0.991) 5.553 7.174 ( 5.067 12.101 0.988) 13.156 7.447 ( -9.490 -6.065 2.835) 11.613 8.237 ( -3.144 1.838 -3.726) 5.210 8.309 ( -3.534 11.353 0.776) 11.916 11.511 ( -1.409 -0.553 0.245) 1.534 11.746 ( 10.850 4.776 1.235) 11.919 12.067 ( 3.734 -1.292 0.290) 3.961 12.152 ( 1.221 3.808 0.389) 4.018 12.374 ( -1.705 2.323 -0.373) 2.906 12.932 ( -17.310 -5.030 -2.299) 18.172 14.137 ( 0.320 -0.044 0.498) 0.593 14.323 ( -1.041 4.490 0.428) 4.628 17.748 ( -0.515 6.254 -1.077) 6.367 18.316 ( 3.807 -1.526 0.526) 4.135 18.913 ( -5.146 -11.776 4.073) 13.481 19.136 ( 7.487 0.213 -2.439) 7.877 27.132 ( 12.995 -3.404 0.067) 13.434 27.733 ( -8.106 -11.261 -0.005) 13.875 28.225 ( 4.613 -2.136 -0.077) 5.084 28.674 ( 0.246 2.746 0.239) 2.767 28.991 ( -0.648 1.083 -0.331) 1.305 31.780 ( -0.102 -3.271 7.232) 7.938 35.289 ( -0.506 0.015 -6.505) 6.524 35.808 ( -5.254 11.760 1.974) 13.031 ======================= Grid point 257 (149/294) ======================= q-point: (-0.08 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 12.908 -10.790 3.130) 17.112 2.166 ( 0.924 -1.541 -2.002) 2.690 2.236 ( 1.279 -5.959 0.394) 6.108 2.771 ( 2.501 -0.804 -3.004) 3.991 2.972 ( 6.146 -22.342 0.073) 23.172 3.821 ( 21.053 -16.193 -1.111) 26.584 4.283 ( 2.519 -4.199 -0.604) 4.933 4.404 ( 3.086 -1.232 0.076) 3.324 4.936 ( -5.382 -15.578 0.352) 16.485 5.405 ( 15.714 -5.896 1.076) 16.818 5.812 ( -9.532 11.792 1.036) 15.198 6.665 ( 2.934 -3.563 1.968) 5.017 7.168 ( -15.569 4.521 1.282) 16.262 7.491 ( 13.175 6.503 -0.646) 14.707 8.169 ( -3.095 -0.152 -2.883) 4.233 8.333 ( -6.644 9.332 0.930) 11.493 11.462 ( -2.774 -1.880 0.013) 3.351 11.877 ( 3.089 -3.036 1.382) 4.546 12.095 ( -5.853 1.951 0.151) 6.172 12.119 ( -3.214 -4.698 0.978) 5.776 12.483 ( 1.970 7.653 -0.847) 7.948 12.699 ( 2.124 3.335 -0.752) 4.024 14.122 ( -1.514 -0.271 0.046) 1.538 14.369 ( 0.216 4.147 0.452) 4.177 17.757 ( -4.804 5.502 -0.942) 7.364 18.425 ( 6.865 0.974 0.753) 6.975 18.731 ( -2.273 -11.955 3.996) 12.808 19.229 ( 4.783 -0.806 -3.223) 5.824 27.141 ( -3.426 -12.919 0.174) 13.366 27.689 ( 10.901 -0.442 -0.354) 10.915 28.266 ( 2.596 -2.351 -0.091) 3.503 28.684 ( -1.914 2.045 -0.914) 2.946 28.995 ( -0.027 0.767 0.237) 0.803 31.789 ( 1.651 -1.788 6.426) 6.872 35.266 ( 0.620 -0.679 -5.303) 5.382 35.814 ( -7.814 10.685 1.603) 13.335 ======================= Grid point 260 (150/294) ======================= q-point: ( 0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 8.706 -4.354 -10.254) 14.138 2.188 ( 4.483 0.965 0.942) 4.681 2.245 ( 3.443 -2.356 3.510) 5.452 2.757 ( 9.957 -1.236 3.345) 10.577 2.882 ( 11.402 3.022 -3.013) 12.174 3.930 ( 17.313 -10.706 -0.850) 20.374 4.306 ( 10.563 -1.524 -3.175) 11.135 4.485 ( 0.497 -4.617 -0.268) 4.651 4.836 ( 7.093 11.677 0.669) 13.679 5.492 ( 2.306 -5.158 3.469) 6.630 5.875 ( -4.912 -3.177 -0.441) 5.867 6.660 ( 2.841 -1.329 1.170) 3.348 6.987 ( -5.985 8.088 -0.531) 10.076 7.754 ( 1.179 -11.639 -2.963) 12.067 8.154 ( -10.176 5.343 1.047) 11.541 8.278 ( -1.300 0.026 0.957) 1.614 11.485 ( -1.758 11.834 -0.276) 11.967 11.537 ( -3.848 -0.236 -0.227) 3.861 12.011 ( 1.924 2.263 1.064) 3.155 12.132 ( 0.614 -0.563 0.282) 0.879 12.398 ( -2.796 0.279 -1.628) 3.247 13.191 ( 0.625 -11.602 3.595) 12.163 14.126 ( 1.450 1.434 -0.719) 2.162 14.325 ( -5.760 -0.531 -0.150) 5.786 17.658 ( -2.438 3.333 0.675) 4.185 18.356 ( 0.034 -5.979 0.531) 6.003 18.929 ( 4.479 9.814 1.756) 10.930 19.178 ( 4.282 -7.515 -4.343) 9.678 26.928 ( 5.951 7.948 0.487) 9.941 28.015 ( 1.199 -10.826 -0.722) 10.916 28.181 ( 7.959 1.156 -1.605) 8.201 28.650 ( -2.223 2.217 -1.193) 3.359 28.982 ( -0.456 -1.319 1.680) 2.184 31.867 ( 0.103 -1.216 0.475) 1.309 35.250 ( 2.734 -1.567 0.429) 3.180 35.771 ( -11.669 3.917 -0.016) 12.309 ======================= Grid point 261 (151/294) ======================= q-point: ( 0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 4.168 1.592 -8.355) 9.472 2.267 ( 3.662 -1.965 1.295) 4.353 2.327 ( 4.793 2.974 0.594) 5.672 2.800 ( 0.854 -4.630 2.758) 5.457 3.240 ( 17.219 11.121 -0.490) 20.504 4.140 ( 14.752 -2.997 -1.698) 15.149 4.375 ( -1.980 -0.361 -2.788) 3.439 4.494 ( 8.314 -7.090 1.142) 10.986 5.126 ( 8.685 17.496 0.083) 19.533 5.435 ( -8.164 2.142 3.751) 9.237 5.754 ( 4.202 -16.007 -0.793) 16.568 6.710 ( -3.046 -2.226 1.064) 3.920 6.952 ( -4.751 11.733 -2.004) 12.816 7.575 ( -2.113 -12.265 0.215) 12.447 8.116 ( -4.810 1.755 -0.090) 5.121 8.171 ( -5.672 -3.346 0.092) 6.587 11.546 ( 4.319 2.539 -0.729) 5.063 11.632 ( 1.787 15.283 -0.151) 15.388 12.062 ( 0.575 2.895 0.394) 2.978 12.159 ( 3.213 -1.439 1.616) 3.874 12.349 ( -2.216 -0.248 -2.032) 3.017 12.969 ( -8.781 -18.020 2.371) 20.186 14.169 ( 2.426 -0.348 -0.591) 2.522 14.234 ( -4.456 1.228 -0.107) 4.624 17.618 ( -5.166 -0.174 1.174) 5.301 18.372 ( 4.654 1.620 -0.211) 4.932 19.080 ( 1.684 7.987 1.066) 8.232 19.148 ( 2.841 -8.160 -2.553) 9.009 27.178 ( 9.614 13.273 0.456) 16.395 27.938 ( 2.358 -10.272 -0.762) 10.567 28.263 ( 1.465 -0.443 -0.518) 1.615 28.645 ( -0.150 1.850 -0.912) 2.068 28.948 ( -2.611 -1.505 1.224) 3.253 31.840 ( -1.440 -1.193 -0.776) 2.024 35.287 ( 3.051 -1.579 0.498) 3.471 35.612 ( -9.433 1.386 0.071) 9.535 ======================= Grid point 262 (152/294) ======================= q-point: ( 0.33 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 3.147 3.783 -4.260) 6.509 2.264 ( -2.207 -1.509 -0.128) 2.676 2.471 ( 6.415 5.000 0.262) 8.138 2.743 ( -2.340 -5.297 1.850) 6.079 3.627 ( 14.631 7.939 1.914) 16.756 4.305 ( -2.126 5.810 -4.953) 7.925 4.352 ( 5.941 0.672 -0.436) 5.994 4.532 ( 3.179 -8.095 0.678) 8.723 5.289 ( -8.220 -0.236 2.099) 8.487 5.487 ( 9.003 21.771 1.482) 23.606 5.738 ( 14.301 -19.650 0.170) 24.304 6.380 ( -24.645 -4.888 -0.899) 25.141 7.158 ( 8.157 16.927 -2.324) 18.933 7.502 ( 6.860 -12.789 1.241) 14.566 7.847 ( -17.774 -5.176 1.345) 18.561 8.159 ( 0.446 0.037 -0.736) 0.861 11.680 ( 7.714 0.542 -0.794) 7.773 11.855 ( 4.829 17.554 -0.191) 18.207 12.101 ( 2.184 0.540 0.144) 2.255 12.205 ( 1.156 0.217 1.946) 2.273 12.308 ( -0.257 -1.779 -1.496) 2.339 12.590 ( -14.212 -16.079 0.908) 21.479 14.178 ( 0.415 -1.343 -0.264) 1.430 14.206 ( -1.224 1.610 -0.100) 2.025 17.510 ( -4.723 -2.208 0.611) 5.249 18.506 ( 5.516 4.070 -0.048) 6.856 19.102 ( 0.210 -2.618 -0.709) 2.721 19.156 ( 0.490 1.545 0.088) 1.623 27.499 ( 10.809 13.066 0.398) 16.962 27.875 ( 0.712 -8.249 -0.649) 8.306 28.229 ( -3.320 -1.496 0.052) 3.642 28.681 ( 2.645 1.465 -0.447) 3.057 28.867 ( -4.848 -1.967 0.487) 5.254 31.800 ( -1.694 -0.317 -0.713) 1.865 35.330 ( 3.280 -0.784 0.098) 3.374 35.480 ( -6.261 -0.369 0.229) 6.276 ======================= Grid point 263 (153/294) ======================= q-point: ( 0.42 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( -7.672 2.182 -0.023) 7.976 2.209 ( 1.055 -0.571 -0.007) 1.200 2.619 ( -3.783 5.295 -0.085) 6.508 2.643 ( 5.433 -6.537 0.088) 8.500 3.873 ( 9.068 -2.589 0.004) 9.431 4.268 ( -9.629 4.785 0.058) 10.753 4.439 ( -4.149 -0.389 -0.373) 4.184 4.452 ( 2.018 1.181 0.365) 2.366 5.231 ( 3.774 -2.331 -0.080) 4.436 5.812 ( 10.219 -19.222 0.828) 21.786 5.859 ( -7.292 11.345 -1.211) 13.541 5.913 ( -2.102 7.768 0.420) 8.059 7.409 ( -11.453 7.810 0.039) 13.862 7.532 ( 0.846 -2.683 -0.074) 2.814 7.541 ( 10.635 -5.222 0.038) 11.848 8.156 ( -0.561 0.287 0.002) 0.630 11.754 ( -0.936 0.621 0.003) 1.123 12.121 ( 2.732 1.569 -0.710) 3.230 12.134 ( -5.114 5.792 0.812) 7.769 12.176 ( 7.571 -9.256 -0.022) 11.958 12.252 ( -4.959 -1.737 -0.114) 5.256 12.326 ( 1.042 2.787 0.030) 2.976 14.187 ( -1.836 0.171 -0.015) 1.844 14.189 ( 1.615 0.028 0.015) 1.615 17.452 ( -0.015 -0.393 -0.000) 0.394 18.586 ( 0.488 0.266 0.000) 0.556 19.117 ( 2.498 1.455 -0.001) 2.891 19.136 ( -2.880 -1.264 0.001) 3.145 27.750 ( -1.513 -9.214 -0.003) 9.337 27.774 ( 1.511 9.631 0.004) 9.749 28.174 ( 0.210 -0.200 -0.000) 0.290 28.758 ( -2.187 -3.967 -0.050) 4.530 28.761 ( 1.786 3.802 0.050) 4.201 31.776 ( -0.952 0.470 -0.000) 1.062 35.389 ( -0.490 0.919 -0.005) 1.042 35.390 ( 0.874 -1.129 0.005) 1.428 ======================= Grid point 264 (154/294) ======================= q-point: (-0.50 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -12.822 -0.133 5.891) 14.111 2.249 ( 2.893 -1.170 -0.385) 3.145 2.482 ( -6.960 -3.260 -0.145) 7.687 2.757 ( 5.620 0.062 -1.738) 5.883 3.793 ( -11.536 -11.807 -7.195) 18.007 4.142 ( -5.512 6.033 9.844) 12.794 4.350 ( -4.299 -1.849 -0.233) 4.685 4.513 ( 4.582 -8.070 0.455) 9.291 5.342 ( 5.559 6.856 -3.132) 9.365 5.412 ( -21.466 -1.939 -1.798) 21.628 5.917 ( 14.844 -18.696 -0.069) 23.873 6.291 ( 9.312 20.705 1.431) 22.748 7.112 ( -15.479 -1.599 2.578) 15.774 7.601 ( 12.196 -12.469 0.067) 17.442 7.792 ( 5.982 14.266 -2.196) 15.624 8.159 ( 0.167 1.520 0.085) 1.531 11.644 ( -7.724 -6.004 0.353) 9.790 11.908 ( -12.754 7.228 0.343) 14.663 12.102 ( -3.426 -1.479 -0.769) 3.810 12.226 ( 0.236 -3.853 1.349) 4.089 12.359 ( 3.597 4.604 -1.796) 6.112 12.503 ( 18.611 -1.849 0.235) 18.704 14.149 ( -1.725 -0.899 -0.016) 1.945 14.239 ( 2.326 2.407 0.238) 3.356 17.503 ( 4.457 2.225 -0.105) 4.982 18.549 ( -2.967 -1.026 -0.018) 3.139 19.035 ( -5.425 -4.214 0.217) 6.873 19.192 ( 2.895 2.229 -0.041) 3.654 27.499 ( -16.272 -1.955 -0.402) 16.394 27.865 ( 5.195 -6.718 0.764) 8.526 28.247 ( 4.290 3.419 -0.387) 5.499 28.668 ( -3.944 -0.042 -0.538) 3.981 28.867 ( 5.122 1.586 0.703) 5.407 31.775 ( 0.068 0.127 1.301) 1.309 35.340 ( -0.812 -1.551 -0.951) 1.992 35.479 ( 3.706 4.139 0.348) 5.566 ======================= Grid point 265 (155/294) ======================= q-point: (-0.42 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -8.555 -1.883 12.736) 15.457 2.270 ( 1.761 -2.623 -0.923) 3.291 2.331 ( -6.163 -2.695 -0.789) 6.772 2.817 ( 3.438 -2.580 -2.061) 4.767 3.350 ( -19.928 -11.979 -4.230) 23.633 4.161 ( -2.036 -5.366 8.897) 10.588 4.266 ( -0.501 -0.413 -0.464) 0.798 4.415 ( 0.477 -17.831 -1.850) 17.933 5.075 ( -15.345 -0.279 -1.319) 15.404 5.511 ( 1.679 14.492 -3.499) 15.002 5.951 ( 10.560 -18.905 -0.664) 21.665 6.611 ( 6.577 12.665 1.418) 14.341 6.909 ( -8.269 1.789 1.754) 8.640 7.687 ( 11.213 -11.929 0.297) 16.374 7.997 ( 2.091 14.584 -1.693) 14.830 8.190 ( 1.501 1.223 0.528) 2.007 11.458 ( -7.220 -1.966 0.247) 7.487 11.809 ( -11.115 11.615 0.365) 16.081 12.023 ( -2.785 -2.061 -0.243) 3.473 12.171 ( -0.977 -5.731 1.803) 6.087 12.435 ( -0.396 6.596 -2.008) 6.906 12.818 ( 22.281 -8.065 -0.727) 23.707 14.114 ( -1.375 -0.543 -0.094) 1.482 14.312 ( 2.254 3.701 0.415) 4.353 17.618 ( 3.922 4.011 0.032) 5.610 18.508 ( -0.100 0.242 0.021) 0.263 18.871 ( -7.744 -5.685 0.689) 9.631 19.234 ( 1.023 -1.179 -0.418) 1.616 27.189 ( -16.592 -0.774 -0.276) 16.612 27.875 ( 5.988 -9.808 0.787) 11.518 28.326 ( 1.783 0.470 -1.035) 2.115 28.620 ( -2.710 2.363 -0.467) 3.625 28.958 ( 3.472 0.165 1.240) 3.691 31.784 ( 0.789 -1.448 3.481) 3.852 35.320 ( 0.505 -1.069 -2.919) 3.149 35.604 ( 3.436 7.793 1.056) 8.582 ======================= Grid point 266 (156/294) ======================= q-point: (-0.33 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -3.095 -6.214 17.360) 18.697 2.202 ( -4.074 -2.205 0.060) 4.633 2.279 ( 2.116 -2.660 -3.191) 4.662 2.802 ( -2.144 -6.082 -1.551) 6.633 2.906 ( -10.673 -14.024 -3.281) 17.926 3.997 ( -3.829 -17.010 3.257) 17.737 4.218 ( -1.788 -13.151 -1.531) 13.360 4.325 ( 5.153 -3.257 3.853) 7.212 4.859 ( -8.896 0.045 -1.560) 9.032 5.618 ( -1.049 3.586 -2.997) 4.789 5.918 ( 4.083 -8.720 -0.829) 9.664 6.717 ( 0.340 -2.412 -0.247) 2.449 6.920 ( -0.357 12.604 0.561) 12.622 7.726 ( 5.001 -11.314 2.135) 12.553 8.132 ( 1.822 6.638 -1.774) 7.108 8.266 ( 2.059 8.367 1.390) 8.728 11.381 ( -2.418 3.110 0.433) 3.963 11.739 ( -9.907 10.760 0.184) 14.627 11.977 ( -0.825 -1.226 0.664) 1.620 12.113 ( -0.031 -3.471 1.297) 3.705 12.466 ( -1.937 5.149 -1.930) 5.830 13.084 ( 17.846 -9.204 -1.667) 20.149 14.092 ( -0.769 0.146 0.018) 0.783 14.383 ( 0.808 4.096 0.437) 4.198 17.686 ( -1.411 4.833 -0.096) 5.036 18.572 ( 6.382 -1.464 0.023) 6.547 18.671 ( -8.072 -3.547 0.862) 8.859 19.198 ( -1.134 -5.714 0.139) 5.827 26.939 ( -10.455 -0.603 -0.110) 10.473 27.898 ( 7.895 -9.816 0.659) 12.614 28.291 ( -3.897 -3.478 -1.826) 5.533 28.619 ( -0.989 3.899 0.347) 4.038 28.996 ( 1.293 -1.290 1.387) 2.294 31.791 ( 0.896 -3.517 6.447) 7.399 35.312 ( 0.794 -0.119 -5.678) 5.735 35.756 ( 2.269 11.263 1.708) 11.615 ======================= Grid point 267 (157/294) ======================= q-point: (-0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 0.725 -13.117 15.720) 20.487 2.137 ( 0.001 -3.758 -0.917) 3.868 2.288 ( 0.572 0.401 -3.307) 3.380 2.542 ( -1.073 -18.211 -1.480) 18.303 2.793 ( 0.743 -6.599 -1.813) 6.884 3.727 ( -2.757 -25.674 0.110) 25.822 4.098 ( 1.272 -9.324 1.951) 9.610 4.393 ( 4.467 -4.077 4.638) 7.622 4.763 ( -0.199 -1.038 -3.440) 3.599 5.477 ( -2.968 -19.529 -2.769) 19.946 5.981 ( 0.131 12.420 0.614) 12.436 6.677 ( -1.366 -2.260 -1.240) 2.917 7.045 ( 0.259 11.264 -0.320) 11.271 7.632 ( -1.056 -14.397 4.608) 15.154 8.232 ( 6.002 -0.412 -0.991) 6.097 8.394 ( -2.823 16.881 -0.104) 17.116 11.430 ( 3.057 3.952 0.369) 5.010 11.694 ( -7.303 10.932 0.308) 13.151 11.958 ( 1.132 -3.653 1.418) 4.079 12.127 ( 1.007 3.452 0.482) 3.628 12.460 ( -2.771 2.976 -1.442) 4.314 13.207 ( 6.244 -8.468 -2.649) 10.849 14.098 ( 0.559 1.552 0.256) 1.669 14.415 ( -1.869 3.779 0.325) 4.228 17.694 ( -1.638 4.622 -0.344) 4.916 18.445 ( -7.301 -5.699 0.585) 9.280 18.771 ( 10.644 1.443 -0.331) 10.746 19.084 ( -3.189 -10.020 2.097) 10.722 26.834 ( -0.317 -0.915 -0.018) 0.969 27.944 ( 8.171 -12.831 0.470) 15.219 28.120 ( -8.565 -3.851 -1.090) 9.454 28.657 ( 0.205 4.105 0.942) 4.217 28.999 ( 0.308 -0.767 0.525) 0.979 31.785 ( 0.398 -5.144 9.426) 10.745 35.303 ( 0.227 0.763 -8.494) 8.531 35.909 ( -0.118 13.643 1.997) 13.789 ======================= Grid point 268 (158/294) ======================= q-point: (-0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 6.547 -17.444 9.591) 20.956 2.095 ( 2.859 -9.666 -3.624) 10.711 2.236 ( -2.843 -0.932 -1.623) 3.403 2.531 ( 14.445 -12.149 0.524) 18.883 2.730 ( 0.742 -6.840 -1.845) 7.123 3.418 ( 1.362 -30.071 -1.123) 30.123 4.084 ( 5.090 -6.746 4.089) 9.388 4.402 ( 0.017 -4.467 3.078) 5.425 4.811 ( 9.665 -5.406 -4.632) 12.004 5.189 ( -3.715 -21.042 -1.180) 21.400 6.118 ( -3.197 16.439 1.394) 16.805 6.615 ( -2.655 -2.002 0.750) 3.408 7.164 ( 4.076 6.256 -0.777) 7.507 7.495 ( -1.717 -8.478 4.204) 9.618 8.257 ( -0.396 -4.392 -2.958) 5.310 8.519 ( -3.650 18.376 1.026) 18.763 11.507 ( 2.070 -0.826 -0.282) 2.247 11.738 ( -0.869 11.651 1.598) 11.792 11.975 ( 4.396 -1.578 0.851) 4.747 12.199 ( 0.659 7.138 0.165) 7.171 12.428 ( -2.666 1.346 -0.306) 3.002 13.093 ( -8.430 -7.775 -3.464) 11.980 14.137 ( 0.897 2.520 0.371) 2.701 14.404 ( -2.991 3.360 0.292) 4.508 17.755 ( 3.545 4.556 -0.649) 5.810 18.311 ( -3.315 -1.596 0.535) 3.718 18.899 ( -5.260 -12.575 6.367) 15.044 18.962 ( 10.153 -1.633 -3.347) 10.814 26.907 ( 9.172 -1.328 -0.153) 9.269 27.752 ( -8.257 -16.892 0.053) 18.802 28.102 ( 5.628 -1.461 0.687) 5.855 28.706 ( 0.190 3.887 0.883) 3.990 28.999 ( -0.026 0.284 -0.713) 0.768 31.766 ( 0.091 -5.585 11.243) 12.554 35.278 ( -0.585 0.886 -9.941) 9.998 36.026 ( -3.583 14.277 1.834) 14.833 ======================= Grid point 269 (159/294) ======================= q-point: (-0.08 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 12.343 -17.366 3.205) 21.545 2.033 ( 5.486 -12.690 -2.980) 14.143 2.209 ( -0.463 0.637 -0.457) 0.911 2.631 ( 8.609 -14.795 1.106) 17.153 2.688 ( 3.072 -6.689 -1.386) 7.490 3.274 ( 17.112 -23.743 -2.336) 29.360 4.153 ( 7.081 -4.681 3.119) 9.043 4.346 ( -0.260 -5.281 -1.003) 5.382 4.824 ( 1.344 -14.536 -0.778) 14.619 5.064 ( 11.373 -10.893 0.050) 15.748 6.149 ( -11.473 13.955 1.691) 18.145 6.592 ( 1.762 -1.251 2.233) 3.108 7.308 ( 8.744 -2.071 -1.029) 9.045 7.434 ( -4.960 6.299 0.890) 8.067 8.152 ( -2.129 -5.939 -3.937) 7.437 8.601 ( -7.595 14.418 2.858) 16.545 11.492 ( -1.422 -1.300 -0.485) 1.987 11.826 ( 1.055 2.159 2.472) 3.447 12.070 ( 2.917 1.897 0.334) 3.496 12.265 ( -4.447 4.185 0.700) 6.147 12.463 ( 6.603 8.335 0.684) 10.656 12.798 ( -12.819 -6.008 -3.416) 14.563 14.156 ( -1.579 1.616 0.046) 2.260 14.408 ( -0.410 3.518 0.512) 3.579 17.856 ( 0.409 4.995 -1.188) 5.150 18.319 ( 4.574 1.023 0.448) 4.708 18.687 ( -4.460 -13.584 7.147) 15.984 19.087 ( 7.646 -2.768 -4.346) 9.220 27.033 ( 4.572 -6.552 -0.021) 7.990 27.521 ( 2.681 -8.842 -0.625) 9.261 28.177 ( 4.335 -2.961 0.950) 5.335 28.738 ( -1.217 3.394 -0.098) 3.607 28.997 ( -0.200 0.068 -0.806) 0.834 31.761 ( 1.284 -4.239 10.796) 11.669 35.241 ( -0.500 0.107 -8.510) 8.526 36.074 ( -7.419 13.036 1.333) 15.059 ======================= Grid point 272 (160/294) ======================= q-point: ( 0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 19.928 -5.852 -4.457) 21.242 2.062 ( 11.520 -2.818 2.938) 12.218 2.224 ( -1.608 -1.896 0.770) 2.602 2.538 ( 15.913 6.468 -0.779) 17.195 2.717 ( 7.631 -2.748 0.468) 8.124 3.413 ( 26.423 -14.344 -0.187) 30.066 4.128 ( 8.027 0.870 -4.623) 9.304 4.418 ( 3.054 -3.902 -0.050) 4.955 4.775 ( 10.827 6.113 2.599) 12.702 5.179 ( 16.144 -12.249 0.863) 20.283 6.128 ( -15.866 5.807 -0.618) 16.906 6.626 ( -0.596 -2.230 -1.311) 2.654 7.159 ( -3.364 6.378 0.334) 7.218 7.532 ( 7.261 -6.870 -3.307) 10.528 8.228 ( 3.145 -3.653 2.962) 5.658 8.521 ( -17.965 7.291 0.654) 19.399 11.504 ( 1.732 1.044 0.303) 2.045 11.752 ( -10.616 6.022 -1.078) 12.252 11.976 ( 3.141 2.848 0.616) 4.285 12.202 ( -5.612 3.984 -0.469) 6.899 12.433 ( -2.476 -1.229 -1.296) 3.053 13.052 ( 2.880 -11.153 4.741) 12.457 14.143 ( -1.496 1.927 -0.706) 2.539 14.406 ( -4.274 -0.819 -0.086) 4.353 17.748 ( -2.506 5.048 0.634) 5.671 18.312 ( -0.341 -3.392 0.367) 3.429 18.926 ( 8.267 6.010 2.957) 10.640 18.968 ( 5.834 -8.841 -6.793) 12.583 26.903 ( 5.768 7.177 0.594) 9.227 27.760 ( 10.167 -15.816 -1.610) 18.871 28.111 ( 4.200 4.469 -1.287) 6.266 28.716 ( -3.465 1.807 -1.242) 4.100 28.987 ( -0.258 -0.121 1.866) 1.888 31.834 ( 2.057 -1.579 -2.124) 3.352 35.210 ( 1.301 -0.645 3.509) 3.797 36.038 ( -14.171 4.046 -0.697) 14.754 ======================= Grid point 273 (161/294) ======================= q-point: ( 0.25 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 12.926 0.593 -4.866) 13.825 2.180 ( 3.720 -2.251 2.044) 4.804 2.248 ( 5.767 0.688 0.382) 5.820 2.748 ( 2.891 -1.424 3.297) 4.610 2.983 ( 21.201 5.788 -1.940) 22.063 3.752 ( 23.741 -4.779 0.412) 24.221 4.281 ( 8.469 0.773 -3.075) 9.043 4.408 ( 0.173 -2.806 1.224) 3.066 5.076 ( 13.854 7.828 1.434) 15.977 5.293 ( 10.085 -9.183 -0.331) 13.643 5.861 ( -16.810 -0.575 -0.930) 16.846 6.656 ( 4.936 0.587 -0.320) 4.981 7.183 ( -6.453 11.502 -0.918) 13.220 7.470 ( -0.774 -13.396 -1.793) 13.537 8.202 ( -2.429 -1.943 3.402) 4.609 8.316 ( -12.181 2.966 -0.650) 12.554 11.511 ( 0.241 -1.613 0.199) 1.643 11.760 ( 0.628 12.303 -1.592) 12.421 12.066 ( 2.791 2.804 0.541) 3.993 12.154 ( -3.083 2.956 0.087) 4.272 12.378 ( -2.558 -0.505 -1.272) 2.901 12.905 ( -3.757 -17.123 3.145) 17.810 14.143 ( 0.227 0.058 -0.586) 0.631 14.327 ( -4.457 1.406 -0.323) 4.685 17.735 ( -5.719 2.646 1.445) 6.465 18.321 ( 3.143 2.671 -0.422) 4.146 18.957 ( 6.323 -10.357 -4.712) 13.017 19.111 ( 4.330 6.289 2.489) 8.031 27.130 ( 9.463 9.564 0.457) 13.462 27.736 ( 5.873 -12.752 -0.690) 14.056 28.229 ( 3.833 2.859 -0.898) 4.866 28.678 ( -2.222 1.050 -0.531) 2.515 28.982 ( -1.178 0.188 1.370) 1.817 31.831 ( 0.504 -1.287 -3.057) 3.355 35.241 ( 1.666 -0.578 3.197) 3.651 35.822 ( -13.044 1.388 -0.917) 13.150 ======================= Grid point 274 (162/294) ======================= q-point: ( 0.33 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 5.957 4.676 -1.001) 7.639 2.225 ( 3.773 -1.836 -0.693) 4.253 2.370 ( 7.054 -0.398 -0.059) 7.066 2.758 ( -1.178 -0.469 2.493) 2.797 3.375 ( 19.293 -0.121 0.318) 19.296 4.136 ( 19.351 5.044 -1.376) 20.045 4.379 ( 4.554 -4.100 0.873) 6.190 4.392 ( -1.184 2.585 -0.473) 2.882 5.294 ( 13.422 -15.961 1.592) 20.915 5.443 ( -0.258 6.596 -2.552) 7.077 5.599 ( -4.711 7.545 0.928) 8.943 6.664 ( -10.089 -2.617 -0.769) 10.451 7.133 ( 0.955 -1.269 -3.276) 3.640 7.392 ( 0.607 3.778 1.206) 4.012 8.068 ( -12.849 -4.955 1.023) 13.810 8.197 ( -2.932 3.153 1.067) 4.436 11.537 ( 5.360 -2.085 -0.420) 5.767 11.926 ( 4.879 8.194 -0.705) 9.563 12.074 ( -1.464 -2.419 -0.135) 2.831 12.199 ( 3.761 2.150 0.889) 4.423 12.326 ( -4.238 3.039 -0.826) 5.280 12.654 ( -8.118 -10.331 1.272) 13.200 14.141 ( 0.798 -1.655 -0.307) 1.862 14.281 ( -3.531 2.795 -0.249) 4.510 17.619 ( -8.025 -0.044 0.961) 8.083 18.446 ( 5.394 4.295 -0.415) 6.907 18.959 ( 6.254 -7.829 -2.301) 10.281 19.212 ( 0.288 4.246 1.496) 4.511 27.381 ( 11.452 0.712 0.224) 11.477 27.745 ( 4.988 -2.094 -0.558) 5.438 28.276 ( -0.693 1.342 0.017) 1.510 28.661 ( -0.067 -0.136 0.104) 0.184 28.947 ( -3.863 0.706 0.380) 3.945 31.814 ( -0.527 -0.218 -2.075) 2.152 35.281 ( 2.375 0.172 2.111) 3.182 35.620 ( -10.196 -0.266 -0.930) 10.242 ======================= Grid point 275 (163/294) ======================= q-point: ( 0.42 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 2.073 2.850 3.092) 4.689 2.239 ( -1.593 -0.018 -2.054) 2.600 2.469 ( 6.815 -5.174 -0.367) 8.565 2.730 ( -3.434 3.120 1.026) 4.752 3.622 ( 13.570 -8.416 -0.324) 15.971 4.338 ( -0.450 -2.749 0.558) 2.841 4.401 ( 2.220 0.179 -0.118) 2.230 4.518 ( 6.139 11.109 -0.237) 12.694 5.220 ( -6.991 -7.646 -1.193) 10.428 5.368 ( 13.197 -15.251 1.188) 20.203 5.941 ( 11.225 20.780 0.697) 23.628 6.279 ( -24.293 -2.609 -1.830) 24.501 7.179 ( 10.224 -13.822 -0.827) 17.212 7.569 ( 4.755 19.238 -0.803) 19.833 7.754 ( -16.788 -4.542 1.172) 17.431 8.188 ( -2.060 1.986 0.827) 2.978 11.644 ( 9.611 -3.787 -0.442) 10.340 11.941 ( -0.711 -13.343 0.951) 13.395 12.073 ( 4.000 -1.828 -0.242) 4.405 12.263 ( -1.368 0.306 -2.397) 2.777 12.293 ( -0.877 2.654 1.909) 3.385 12.512 ( -8.462 13.934 0.026) 16.302 14.148 ( 1.865 -0.906 -0.018) 2.073 14.243 ( -3.272 1.270 -0.067) 3.510 17.508 ( -5.065 1.759 0.256) 5.368 18.534 ( 2.959 -2.197 -0.489) 3.718 19.019 ( 6.870 -2.006 -0.584) 7.181 19.217 ( -3.580 2.092 0.725) 4.209 27.496 ( 9.841 -13.797 0.312) 16.949 27.867 ( 3.102 8.647 -0.736) 9.216 28.242 ( -4.425 2.228 0.225) 4.959 28.676 ( 2.578 -1.886 0.730) 3.277 28.875 ( -5.397 2.357 -0.402) 5.903 31.799 ( -0.953 0.762 -0.549) 1.338 35.345 ( 3.298 1.707 1.256) 3.920 35.464 ( -6.538 -0.809 -0.959) 6.657 ======================= Grid point 276 (164/294) ======================= q-point: (-0.50 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -10.034 -0.582 4.337) 10.947 2.199 ( 1.597 -0.520 0.579) 1.776 2.470 ( 1.357 -8.482 -0.133) 8.591 2.732 ( -0.886 4.425 -1.483) 4.750 3.667 ( 5.261 -14.730 -3.888) 16.118 4.266 ( -2.953 -5.690 5.523) 8.462 4.430 ( -0.016 -1.205 -2.230) 2.535 4.506 ( -12.970 2.051 1.078) 13.176 5.247 ( 11.063 4.011 -1.110) 11.820 5.457 ( 14.012 -15.568 0.917) 20.965 5.788 ( -22.699 -3.008 -2.697) 23.056 6.372 ( 7.794 22.237 1.328) 23.600 7.193 ( 7.976 -15.335 0.847) 17.306 7.453 ( -13.391 0.454 0.840) 13.425 7.856 ( 5.482 17.835 -1.664) 18.733 8.173 ( -0.939 0.629 0.012) 1.131 11.679 ( -3.444 -7.028 0.837) 7.871 11.875 ( 13.336 -13.384 -0.850) 18.913 12.091 ( 0.872 -2.400 0.552) 2.613 12.180 ( -3.384 -2.018 -0.301) 3.951 12.336 ( -0.055 3.697 -0.385) 3.718 12.570 ( -6.627 18.598 0.099) 19.743 14.178 ( -0.641 0.496 0.299) 0.864 14.209 ( 1.167 0.229 -0.085) 1.192 17.497 ( 0.162 4.492 0.096) 4.496 18.515 ( 0.973 -6.559 -0.461) 6.646 19.124 ( 3.156 1.553 -0.644) 3.576 19.142 ( -4.419 -0.864 0.856) 4.583 27.482 ( 5.828 -16.067 0.550) 17.100 27.897 ( -7.771 3.784 -0.591) 8.664 28.237 ( 0.880 4.395 -0.436) 4.504 28.689 ( 0.667 -2.487 0.047) 2.575 28.849 ( -0.493 4.061 0.476) 4.119 31.791 ( -1.003 0.670 1.186) 1.692 35.353 ( -2.879 -1.500 -1.558) 3.601 35.460 ( 4.066 5.083 1.024) 6.589 ======================= Grid point 277 (165/294) ======================= q-point: (-0.42 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -12.043 -4.372 9.223) 15.786 2.212 ( 1.310 -1.793 -0.827) 2.370 2.372 ( -3.105 -6.708 -0.283) 7.397 2.752 ( 0.819 0.081 -2.194) 2.343 3.463 ( -8.608 -17.031 -5.392) 19.830 4.111 ( -5.425 -17.880 3.345) 18.981 4.292 ( -5.826 -1.116 6.881) 9.085 4.397 ( -5.152 0.144 -3.100) 6.015 5.324 ( -14.246 -4.028 -2.727) 15.053 5.533 ( 12.325 -17.716 -0.903) 21.601 5.588 ( 5.088 14.797 -1.866) 15.759 6.640 ( 3.312 7.956 2.150) 8.882 7.133 ( -6.771 4.602 3.220) 8.797 7.383 ( 7.099 -5.936 -0.741) 9.283 8.085 ( 3.266 13.378 -1.943) 13.907 8.181 ( 1.364 0.975 -0.071) 1.678 11.533 ( -4.828 -4.176 0.631) 6.415 11.960 ( 4.690 -6.767 -1.114) 8.308 12.072 ( -1.917 2.618 0.400) 3.269 12.142 ( 1.381 -4.645 1.799) 5.169 12.386 ( 5.157 1.865 -2.056) 5.857 12.620 ( -4.378 10.486 0.429) 11.371 14.146 ( -2.038 0.383 0.041) 2.074 14.282 ( 4.151 1.853 0.209) 4.551 17.593 ( 4.096 6.004 0.441) 7.282 18.461 ( 1.381 -6.933 -0.391) 7.080 19.000 ( -9.653 0.118 0.478) 9.665 19.188 ( 2.540 -2.400 -0.577) 3.541 27.368 ( -3.784 -11.177 0.465) 11.809 27.758 ( -6.144 -2.250 -0.254) 6.548 28.298 ( 1.965 1.125 -1.180) 2.553 28.671 ( -0.988 0.935 -0.824) 1.590 28.911 ( 2.721 1.390 1.779) 3.536 31.783 ( -0.788 -0.810 3.677) 3.847 35.300 ( -0.822 -1.053 -3.201) 3.469 35.615 ( 5.268 8.502 1.289) 10.085 ======================= Grid point 278 (166/294) ======================= q-point: (-0.33 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( -8.119 -10.533 13.246) 18.770 2.210 ( 1.293 -2.098 -3.719) 4.462 2.242 ( -4.130 -5.074 -0.132) 6.544 2.743 ( 0.987 -3.705 -1.475) 4.108 3.032 ( -18.175 -16.237 -3.406) 24.608 3.803 ( -3.513 -26.918 0.096) 27.146 4.226 ( -5.349 -2.656 6.659) 8.945 4.298 ( -2.511 -1.821 0.694) 3.179 5.019 ( -12.562 -4.070 -3.283) 13.607 5.485 ( 3.970 -19.202 -2.873) 19.817 5.864 ( 6.810 15.581 -1.977) 17.119 6.677 ( 0.450 -3.805 1.256) 4.032 7.135 ( -6.547 15.388 3.016) 16.993 7.480 ( 10.538 -9.107 0.274) 13.930 8.137 ( -1.547 -0.781 -1.138) 2.073 8.336 ( 5.634 13.684 0.640) 14.812 11.451 ( -2.981 0.835 0.655) 3.164 11.915 ( -1.432 -3.639 -0.593) 3.955 12.087 ( -6.664 2.731 2.246) 7.544 12.098 ( -0.488 5.339 0.055) 5.362 12.529 ( 4.535 3.327 -3.018) 6.383 12.675 ( 10.100 -3.994 0.450) 10.871 14.122 ( -1.552 1.273 0.017) 2.008 14.374 ( 3.616 2.255 0.208) 4.267 17.729 ( 3.191 6.159 0.581) 6.961 18.441 ( 4.362 -6.174 -0.256) 7.564 18.816 ( -11.049 -0.285 0.274) 11.056 19.159 ( -0.763 -6.072 -0.202) 6.123 27.144 ( -12.005 -3.922 0.030) 12.630 27.675 ( 3.038 -9.407 0.313) 9.890 28.300 ( -0.837 -2.219 -1.956) 3.074 28.676 ( -0.758 3.381 -0.607) 3.518 28.960 ( 1.891 -0.919 2.337) 3.144 31.771 ( -0.329 -3.252 7.302) 8.000 35.279 ( 0.558 -0.209 -5.902) 5.932 35.815 ( 5.141 11.861 1.531) 13.018 ======================= Grid point 279 (167/294) ======================= q-point: (-0.25 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -4.342 -18.414 12.341) 22.589 2.087 ( -2.874 -10.680 -3.386) 11.567 2.239 ( 2.574 0.913 -2.675) 3.823 2.559 ( -16.053 -12.699 -0.679) 20.479 2.702 ( 0.684 -6.882 -0.941) 6.979 3.458 ( -1.816 -32.459 -0.464) 32.513 4.106 ( -6.297 -2.065 4.740) 8.148 4.281 ( 3.358 -5.630 3.568) 7.463 4.795 ( -6.992 -4.795 -3.545) 9.190 5.278 ( -1.205 -23.156 -3.200) 23.407 6.102 ( 2.679 16.614 -1.446) 16.891 6.652 ( 0.890 -2.353 -0.367) 2.542 7.211 ( -2.888 13.579 1.969) 14.022 7.487 ( 1.646 -14.117 3.124) 14.552 8.112 ( 3.184 -3.349 -0.757) 4.682 8.575 ( 2.903 16.873 0.790) 17.139 11.443 ( -0.371 2.405 0.442) 2.473 11.868 ( -0.977 -0.335 -0.102) 1.038 12.007 ( -7.454 5.328 2.391) 9.469 12.164 ( 0.222 8.050 -0.438) 8.065 12.545 ( -3.869 3.971 -1.022) 5.638 12.884 ( 17.885 -8.897 -2.342) 20.112 14.122 ( -0.573 2.777 0.123) 2.838 14.445 ( 1.804 2.022 0.056) 2.710 17.803 ( -2.341 6.399 0.092) 6.815 18.444 ( 0.840 -8.440 0.506) 8.497 18.675 ( -1.518 1.020 -1.643) 2.458 19.048 ( -3.031 -9.619 2.742) 10.452 26.919 ( -9.710 -1.239 -0.187) 9.791 27.658 ( 7.679 -14.199 0.858) 16.165 28.207 ( -5.511 -3.634 -1.807) 6.845 28.705 ( -0.318 4.268 0.541) 4.314 28.982 ( 1.113 -0.710 1.466) 1.973 31.755 ( 0.196 -5.677 11.453) 12.784 35.271 ( 0.884 0.777 -9.446) 9.519 36.030 ( 3.410 14.293 1.545) 14.776 ======================= Grid point 280 (168/294) ======================= q-point: (-0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 0.935 -23.247 7.610) 24.479 1.882 ( 0.730 -21.624 -5.580) 22.344 2.267 ( -1.068 -7.228 3.460) 8.084 2.331 ( 0.124 5.193 -3.505) 6.266 2.617 ( 0.665 -11.835 -2.227) 12.061 3.092 ( -1.202 -33.775 1.216) 33.818 4.018 ( -2.189 -3.193 4.640) 6.043 4.313 ( 5.120 -6.635 3.298) 9.006 4.654 ( -0.639 -6.975 -4.914) 8.556 5.001 ( -1.643 -23.061 -2.115) 23.216 6.296 ( 1.426 16.136 0.352) 16.203 6.657 ( -0.638 0.904 0.806) 1.368 7.222 ( -8.053 -2.100 2.193) 8.607 7.396 ( 4.987 -3.438 2.162) 6.432 8.155 ( 4.762 -5.018 -1.434) 7.065 8.762 ( -1.616 17.532 0.895) 17.630 11.468 ( 1.182 -0.106 -0.113) 1.192 11.897 ( 3.146 2.939 0.382) 4.323 11.953 ( -7.318 8.247 1.997) 11.205 12.258 ( 1.269 7.998 -0.588) 8.119 12.500 ( -4.057 1.790 0.318) 4.446 13.020 ( 6.717 -7.330 -3.969) 10.705 14.163 ( 0.589 4.773 -0.066) 4.810 14.471 ( -1.036 1.793 -0.194) 2.079 17.797 ( -3.743 5.583 -0.261) 6.726 18.332 ( -1.923 -5.834 0.833) 6.199 18.749 ( 7.975 -4.232 -5.070) 10.355 18.893 ( -4.074 -9.891 8.675) 13.773 26.813 ( -0.444 -0.997 -0.289) 1.129 27.607 ( 3.248 -19.626 1.492) 19.949 28.078 ( -3.545 -1.036 -0.256) 3.703 28.750 ( -0.005 4.259 1.653) 4.569 28.998 ( 0.501 0.764 -0.637) 1.114 31.739 ( 0.451 -6.931 14.521) 16.097 35.257 ( 0.204 1.354 -12.535) 12.609 36.215 ( -0.075 15.058 1.282) 15.113 ======================= Grid point 281 (169/294) ======================= q-point: (-0.08 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 9.659 -22.372 2.147) 24.463 1.706 ( 8.133 -24.494 -4.371) 26.176 2.219 ( -0.082 -1.509 2.105) 2.591 2.438 ( 6.161 0.974 -0.930) 6.307 2.479 ( 5.825 -22.300 -2.610) 23.196 2.818 ( 4.146 -22.379 1.072) 22.785 4.010 ( 4.281 -3.815 3.776) 6.866 4.291 ( -0.635 -7.973 0.694) 8.028 4.608 ( 6.265 -10.969 -3.232) 13.039 4.800 ( 3.812 -16.742 -0.616) 17.182 6.461 ( -4.217 16.156 1.421) 16.758 6.609 ( -4.348 -0.455 3.726) 5.744 7.113 ( 5.652 -8.708 -0.592) 10.398 7.510 ( 2.746 6.299 -0.279) 6.878 8.112 ( -1.744 -7.060 -2.962) 7.852 8.876 ( -5.133 15.184 2.625) 16.242 11.472 ( 0.773 -2.040 -0.277) 2.199 11.907 ( -4.168 3.098 1.479) 5.400 12.048 ( 4.378 8.685 0.893) 9.767 12.349 ( 0.154 5.173 -0.091) 5.176 12.474 ( -0.070 4.327 1.677) 4.641 12.920 ( -8.121 -6.064 -4.790) 11.210 14.212 ( -1.288 4.875 -0.492) 5.066 14.458 ( -1.710 1.958 0.073) 2.601 17.844 ( 3.857 4.761 -0.342) 6.137 18.300 ( 0.355 -0.133 0.188) 0.423 18.634 ( -3.556 -16.829 7.334) 18.699 18.912 ( 6.748 -2.241 -2.317) 7.478 26.877 ( 7.407 -1.464 -0.528) 7.569 27.393 ( -2.449 -18.192 1.051) 18.386 28.085 ( 3.434 -1.051 1.074) 3.748 28.793 ( -0.685 3.915 1.575) 4.275 29.005 ( -0.479 1.225 -1.870) 2.286 31.730 ( 0.985 -6.087 14.219) 15.498 35.223 ( -0.550 0.736 -11.951) 11.986 36.324 ( -4.775 13.871 0.833) 14.693 ======================= Grid point 321 (170/294) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( -0.000 -0.000 21.496) 21.496 0.446 ( -0.000 -0.000 21.496) 21.496 0.480 ( -0.000 -0.000 24.027) 24.027 2.106 ( 0.000 0.000 -4.587) 4.587 2.106 ( 0.000 0.000 -4.587) 4.587 3.606 ( 0.000 0.000 -5.933) 5.933 3.899 ( 0.000 0.000 -3.939) 3.939 3.899 ( 0.000 0.000 -3.939) 3.939 4.114 ( -0.000 -0.000 3.476) 3.476 4.114 ( -0.000 -0.000 3.476) 3.476 6.625 ( 0.000 0.000 -2.946) 2.946 6.625 ( 0.000 0.000 -2.946) 2.946 7.068 ( -0.000 -0.000 1.022) 1.022 7.949 ( -0.000 -0.000 2.011) 2.011 7.949 ( -0.000 -0.000 2.011) 2.011 8.016 ( -0.000 -0.000 0.006) 0.006 11.441 ( 0.000 0.000 -0.026) 0.026 12.007 ( -0.000 -0.000 0.758) 0.758 12.007 ( -0.000 -0.000 0.758) 0.758 12.384 ( 0.000 0.000 -0.673) 0.673 12.384 ( 0.000 0.000 -0.673) 0.673 12.980 ( 0.000 0.000 -0.135) 0.135 14.503 ( -0.000 -0.000 0.102) 0.102 15.034 ( 0.000 0.000 -0.120) 0.120 18.051 ( 0.000 0.000 -0.089) 0.089 18.051 ( 0.000 0.000 -0.089) 0.089 18.168 ( -0.000 -0.000 0.087) 0.087 18.168 ( -0.000 -0.000 0.087) 0.087 26.779 ( -0.000 0.000 -0.004) 0.004 26.779 ( 0.000 0.000 -0.004) 0.004 28.040 ( -0.000 -0.000 0.051) 0.051 28.040 ( -0.000 -0.000 0.051) 0.051 29.088 ( 0.000 0.000 -0.058) 0.058 29.446 ( -0.000 -0.000 0.068) 0.068 36.793 ( -0.000 -0.000 0.296) 0.296 36.867 ( 0.000 0.000 -0.596) 0.596 ======================= Grid point 322 (171/294) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 8.871 -1.325 12.734) 15.576 0.809 ( 21.834 12.422 12.343) 27.989 1.227 ( 37.434 23.926 10.972) 45.762 2.125 ( 0.927 3.673 -4.551) 5.921 2.278 ( 13.790 5.067 -8.349) 16.898 2.987 ( -24.326 -12.504 13.694) 30.588 3.878 ( 1.910 0.574 -3.296) 3.853 3.973 ( 4.854 3.503 -3.929) 7.161 4.194 ( 4.370 6.672 0.978) 8.035 4.410 ( 13.409 3.267 3.364) 14.205 6.621 ( -2.013 3.329 -2.758) 4.769 6.754 ( 11.756 2.975 -2.228) 12.329 6.940 ( -8.081 -4.804 -0.790) 9.434 7.741 ( -3.880 -7.302 6.298) 10.394 7.980 ( 2.180 1.201 2.089) 3.250 8.674 ( 16.523 12.337 -28.293) 35.010 11.435 ( -0.292 -0.122 -0.036) 0.318 11.992 ( -2.963 0.241 0.156) 2.977 12.202 ( 8.107 3.215 -7.360) 11.412 12.331 ( -4.343 0.817 -0.772) 4.487 12.422 ( 5.499 -0.294 -1.349) 5.670 12.940 ( -3.480 -2.418 0.768) 4.307 14.494 ( -0.727 -0.454 0.128) 0.866 14.656 ( -18.969 -11.779 9.085) 24.106 18.003 ( -0.001 -6.741 0.403) 6.753 18.135 ( -4.937 14.855 -1.016) 15.687 18.273 ( 7.837 7.196 0.660) 10.660 18.535 ( 23.102 2.712 -12.899) 26.598 26.776 ( 0.287 -0.398 -0.147) 0.512 26.952 ( 12.691 8.173 1.204) 15.143 28.048 ( 0.198 0.910 0.049) 0.932 28.635 ( 15.962 8.653 -17.816) 25.437 29.160 ( -0.488 -0.480 4.573) 4.624 29.921 ( 45.188 25.198 -47.098) 69.965 36.280 ( -32.753 -19.204 30.873) 48.935 36.713 ( -6.974 -3.981 -0.130) 8.032 ======================= Grid point 323 (172/294) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 16.641 4.594 -2.446) 17.436 1.371 ( 22.732 12.728 7.359) 27.073 2.072 ( 27.602 16.985 5.481) 32.870 2.185 ( 2.964 4.715 -3.535) 6.597 2.534 ( 6.346 1.730 -4.178) 7.792 2.722 ( 3.989 2.352 9.232) 10.328 3.949 ( 6.320 0.465 -2.947) 6.989 4.111 ( 5.610 7.590 -4.978) 10.671 4.375 ( 7.701 6.402 1.159) 10.082 4.695 ( 13.433 5.450 4.989) 15.331 6.544 ( -10.474 -0.783 -1.337) 10.588 6.749 ( -6.844 -0.022 -1.614) 7.031 7.058 ( 18.599 3.184 -0.727) 18.883 7.579 ( -6.696 -10.029 3.527) 12.564 8.055 ( 3.061 2.791 1.798) 4.516 8.736 ( -3.108 0.170 -17.207) 17.487 11.442 ( 0.947 0.688 -0.055) 1.172 11.916 ( -4.917 -0.032 -1.643) 5.184 12.128 ( -5.709 -7.992 -2.331) 10.094 12.342 ( -2.090 3.767 0.116) 4.310 12.547 ( 7.827 0.060 -1.919) 8.059 12.832 ( -4.925 -1.753 1.162) 5.355 14.344 ( -9.749 -5.582 3.595) 11.795 14.476 ( -0.821 -0.588 -0.241) 1.038 17.923 ( -0.935 -8.339 1.024) 8.453 18.185 ( -0.517 7.620 -2.977) 8.197 18.484 ( 3.163 12.576 -0.642) 12.984 18.862 ( 16.592 1.271 -3.562) 17.018 26.781 ( 0.858 -0.457 -0.242) 1.002 27.333 ( 17.099 11.982 3.294) 21.137 28.062 ( 0.428 0.610 -0.010) 0.745 28.763 ( 3.490 1.739 -6.205) 7.328 29.071 ( -6.273 -4.673 3.494) 8.567 30.703 ( 33.670 18.657 -44.449) 58.800 35.796 ( -17.974 -10.868 27.548) 34.642 36.487 ( -11.852 -6.675 -1.765) 13.717 ======================= Grid point 324 (173/294) ======================= q-point: ( 0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 20.901 8.612 -11.069) 25.170 1.842 ( 15.518 7.693 3.523) 17.675 2.323 ( 8.518 4.243 -0.211) 9.519 2.349 ( -2.493 2.769 2.564) 4.522 2.649 ( 10.487 5.192 2.608) 11.989 3.218 ( 27.315 13.735 3.857) 30.816 4.074 ( 8.035 0.864 -2.753) 8.538 4.268 ( 5.889 6.526 -5.658) 10.454 4.570 ( 4.977 7.573 2.755) 9.472 5.031 ( 16.534 7.365 3.367) 18.410 6.251 ( -16.060 -6.212 -1.331) 17.271 6.685 ( -3.731 3.056 -0.203) 4.827 7.332 ( -5.199 -13.775 2.027) 14.862 7.437 ( 14.764 7.788 -2.051) 16.818 8.145 ( 2.481 4.160 1.181) 4.986 8.547 ( -9.775 -5.264 -7.558) 13.430 11.468 ( 0.004 1.087 0.050) 1.088 11.838 ( -4.556 2.464 -2.149) 5.608 11.928 ( -3.731 -11.549 -2.077) 12.313 12.269 ( -7.289 -1.346 0.848) 7.460 12.583 ( -0.240 -5.122 1.697) 5.401 12.871 ( 5.204 8.565 -0.248) 10.025 14.193 ( -4.911 -1.921 0.909) 5.352 14.453 ( -0.848 -1.321 -0.338) 1.605 17.813 ( -2.830 -7.002 0.756) 7.591 18.263 ( 5.040 1.948 -2.712) 6.046 18.619 ( -0.978 11.558 -1.226) 11.664 19.117 ( 11.245 1.599 0.495) 11.369 26.796 ( 1.343 -0.304 -0.265) 1.402 27.753 ( 13.776 13.501 3.283) 19.566 28.077 ( 2.070 -1.468 0.270) 2.552 28.809 ( 0.644 0.847 0.377) 1.129 28.920 ( -4.070 -4.830 -2.306) 6.724 31.215 ( 21.454 12.199 -25.156) 35.241 35.555 ( -9.592 -6.050 18.077) 21.339 36.181 ( -13.476 -7.485 -3.308) 15.766 ======================= Grid point 325 (174/294) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 19.126 8.949 -15.793) 26.369 2.070 ( 5.877 2.693 0.016) 6.465 2.308 ( -1.307 -0.622 3.258) 3.565 2.601 ( 12.482 6.729 2.683) 14.432 2.867 ( 6.750 5.185 3.023) 9.032 3.787 ( 22.503 8.934 1.582) 24.263 4.224 ( 8.139 2.592 -2.292) 8.844 4.409 ( 5.702 5.480 -4.580) 9.139 4.685 ( -1.161 5.867 3.170) 6.769 5.410 ( 14.461 5.552 2.435) 15.681 5.921 ( -11.607 -4.420 -1.167) 12.475 6.661 ( -1.411 0.715 0.578) 1.684 7.084 ( -9.172 -6.859 0.619) 11.470 7.755 ( 13.007 4.123 -2.992) 13.969 8.222 ( 1.159 3.852 0.552) 4.061 8.275 ( -11.477 -7.375 -1.034) 13.681 11.431 ( -5.406 0.565 -0.357) 5.447 11.691 ( -3.960 -11.188 -0.241) 11.871 11.893 ( 2.832 2.663 -2.124) 4.430 12.133 ( -4.870 -1.253 -0.404) 5.044 12.519 ( -2.747 -3.276 1.941) 4.695 13.082 ( 7.113 9.290 0.920) 11.737 14.124 ( -2.181 -0.141 0.174) 2.192 14.409 ( -1.854 -3.009 -0.399) 3.557 17.703 ( -3.025 -4.709 0.448) 5.614 18.376 ( 8.342 -1.888 -1.490) 8.682 18.681 ( -3.955 10.196 -0.724) 10.960 19.281 ( 6.084 0.628 0.439) 6.132 26.818 ( 1.451 -0.104 -0.216) 1.471 28.026 ( -0.673 11.555 0.165) 11.575 28.158 ( 11.640 -2.420 2.420) 12.132 28.731 ( -5.499 -3.466 0.996) 6.576 28.910 ( 3.763 0.239 -2.906) 4.760 31.552 ( 12.969 7.619 -11.775) 19.102 35.438 ( -4.272 -2.892 10.752) 11.926 35.870 ( -12.185 -6.691 -3.777) 14.406 ======================= Grid point 326 (175/294) ======================= q-point: ( 0.58 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 11.385 6.151 -18.771) 22.799 2.155 ( 2.423 1.204 -0.699) 2.794 2.321 ( 1.515 0.410 2.927) 3.321 2.837 ( 8.119 1.184 2.507) 8.579 2.995 ( 0.978 4.210 3.470) 5.543 4.159 ( 13.423 1.465 -1.323) 13.567 4.377 ( 5.458 4.349 -4.971) 8.568 4.564 ( 4.593 5.137 1.075) 6.975 4.702 ( 0.837 4.405 2.351) 5.063 5.364 ( -13.855 -8.010 2.173) 16.151 6.002 ( 13.260 5.331 0.376) 14.296 6.649 ( -0.355 0.715 0.553) 0.971 6.915 ( -6.345 -1.074 1.501) 6.608 7.868 ( -0.294 -6.132 -2.662) 6.692 8.084 ( -3.910 2.254 0.436) 4.535 8.269 ( 1.703 0.994 -0.325) 1.999 11.307 ( -6.155 -2.189 -0.255) 6.538 11.563 ( -0.622 -5.849 -0.737) 5.928 11.945 ( -0.169 1.702 0.161) 1.718 12.125 ( 3.796 2.033 -1.041) 4.430 12.431 ( -4.514 -2.655 1.262) 5.387 13.277 ( 4.914 6.422 1.760) 8.276 14.120 ( 0.851 1.865 -0.004) 2.050 14.322 ( -3.319 -4.718 -0.493) 5.790 17.625 ( -1.976 -2.155 0.263) 2.935 18.496 ( 8.779 -3.810 -0.191) 9.572 18.687 ( -5.578 8.130 -0.212) 9.862 19.351 ( 2.075 -0.360 -0.589) 2.187 26.839 ( 1.059 -0.037 -0.109) 1.065 28.067 ( -0.935 3.472 0.007) 3.595 28.337 ( 6.260 1.684 1.353) 6.622 28.619 ( -3.578 -2.606 -0.814) 4.501 28.970 ( 2.966 0.566 -0.771) 3.116 31.752 ( 6.740 3.992 -4.602) 9.085 35.413 ( -0.050 -0.294 5.441) 5.449 35.614 ( -8.885 -4.863 -2.833) 10.517 ======================= Grid point 327 (176/294) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 3.818 3.107 -18.119) 18.776 2.185 ( 0.524 0.330 -0.560) 0.835 2.353 ( 0.343 -1.044 1.089) 1.547 2.913 ( 1.514 -3.459 1.062) 3.923 3.000 ( -5.306 1.566 3.765) 6.692 4.266 ( -0.930 -1.248 -2.158) 2.660 4.429 ( 1.744 -1.712 -6.326) 6.782 4.619 ( 0.927 4.723 2.291) 5.330 4.815 ( -5.877 -4.573 0.528) 7.465 5.154 ( 4.986 2.228 5.448) 7.714 6.172 ( 0.105 0.741 1.074) 1.309 6.709 ( 3.290 4.050 0.622) 5.255 6.806 ( -3.990 -3.794 1.971) 5.848 7.796 ( 1.166 0.386 0.155) 1.238 8.069 ( -1.645 -0.385 -2.290) 2.846 8.294 ( 0.643 -0.355 -0.867) 1.136 11.235 ( 0.182 0.154 -0.012) 0.239 11.527 ( 0.188 -0.540 -1.172) 1.304 11.952 ( 0.307 0.292 0.774) 0.883 12.228 ( 2.604 2.442 0.906) 3.683 12.329 ( -2.916 -1.957 -0.555) 3.555 13.368 ( 0.552 0.260 2.387) 2.464 14.167 ( -0.326 -0.402 0.063) 0.521 14.234 ( 0.376 0.092 -0.752) 0.846 17.595 ( -0.235 0.047 0.124) 0.270 18.580 ( 0.329 1.710 1.072) 2.045 18.670 ( 0.863 -0.587 -0.057) 1.045 19.347 ( -1.204 -0.969 -1.752) 2.336 26.851 ( 0.324 -0.128 0.027) 0.350 28.078 ( -0.288 0.605 0.216) 0.704 28.388 ( -1.893 -0.657 -0.069) 2.005 28.566 ( 0.484 -0.737 -1.242) 1.523 29.010 ( 0.851 0.614 0.246) 1.078 31.849 ( 2.708 1.452 -1.524) 3.430 35.393 ( -4.629 -2.553 -0.652) 5.326 35.522 ( 3.339 1.820 1.462) 4.074 ======================= Grid point 328 (177/294) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( -2.651 -0.297 -17.225) 17.430 2.178 ( -1.064 -0.600 0.057) 1.223 2.299 ( -3.506 -3.599 3.113) 5.911 2.822 ( -8.724 -5.591 0.990) 10.409 2.891 ( -5.483 -2.112 1.919) 6.181 4.120 ( -11.456 -2.821 -3.654) 12.351 4.357 ( -7.600 -7.348 -1.945) 10.748 4.542 ( -5.850 -7.916 -2.349) 10.119 4.700 ( 1.621 2.756 2.986) 4.375 5.451 ( 12.752 6.709 4.258) 15.025 6.031 ( -12.854 -3.567 1.284) 13.402 6.702 ( -2.448 -0.680 2.264) 3.403 6.853 ( 7.376 1.276 -0.313) 7.492 7.898 ( -2.516 2.453 -2.190) 4.140 8.030 ( 7.287 1.008 -0.915) 7.413 8.285 ( -0.242 -1.131 0.288) 1.192 11.315 ( 6.294 2.455 -0.014) 6.756 11.553 ( 1.329 4.853 -0.983) 5.127 11.971 ( 1.445 -0.455 0.911) 1.768 12.173 ( -4.793 -2.075 0.340) 5.234 12.374 ( 3.604 2.868 -0.404) 4.624 13.318 ( -3.379 -6.178 3.096) 7.692 14.108 ( -1.185 -2.105 -0.439) 2.455 14.325 ( 3.646 4.728 -0.383) 5.983 17.619 ( 1.747 1.933 0.105) 2.608 18.538 ( -8.666 6.667 1.151) 10.994 18.716 ( 7.846 -8.364 0.946) 11.507 19.275 ( -4.815 -1.612 -3.223) 6.014 26.848 ( -0.456 -0.241 0.158) 0.539 28.068 ( 0.167 -2.951 -0.011) 2.956 28.271 ( -8.921 -1.981 -0.815) 9.174 28.600 ( 3.007 0.908 -1.258) 3.384 29.014 ( -0.903 0.380 0.609) 1.154 31.876 ( 0.324 -0.133 -0.953) 1.015 35.290 ( -3.554 -2.024 0.669) 4.144 35.678 ( 8.981 5.138 0.249) 10.349 ======================= Grid point 329 (178/294) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -14.257 -8.254 -12.071) 20.423 2.123 ( -4.669 -2.760 1.860) 5.734 2.257 ( 0.931 -0.341 2.865) 3.032 2.535 ( -14.872 -7.449 0.029) 16.633 2.779 ( -5.251 -3.768 0.880) 6.523 3.730 ( -24.875 -11.170 -0.425) 27.271 4.130 ( -5.799 -4.546 -4.406) 8.585 4.436 ( -1.485 -5.879 -3.966) 7.246 4.725 ( -1.746 -0.370 4.208) 4.570 5.447 ( -17.753 -7.253 3.334) 19.465 5.982 ( 11.385 5.284 0.428) 12.558 6.667 ( -1.952 0.265 0.878) 2.157 7.045 ( 9.732 6.199 -0.381) 11.545 7.678 ( -12.806 -6.919 -4.727) 15.304 8.224 ( 2.231 -5.532 0.753) 6.013 8.385 ( 13.421 11.760 1.667) 17.922 11.433 ( 4.834 -0.648 -0.252) 4.884 11.696 ( 5.757 11.438 -0.176) 12.806 11.965 ( -1.820 -1.875 -0.009) 2.613 12.133 ( 3.062 0.521 -0.615) 3.166 12.452 ( 1.451 3.625 0.172) 3.908 13.174 ( -4.570 -9.471 3.865) 11.204 14.102 ( 1.643 0.156 -0.580) 1.750 14.418 ( 2.223 3.392 -0.135) 4.058 17.692 ( 3.081 3.872 0.149) 4.951 18.445 ( -8.283 3.758 0.624) 9.117 18.757 ( 6.073 -8.871 2.270) 10.988 19.121 ( -9.200 -2.159 -5.177) 10.775 26.833 ( -0.984 -0.232 0.255) 1.043 27.955 ( -7.002 -13.307 -1.747) 15.138 28.112 ( -7.208 5.034 0.503) 8.806 28.669 ( 3.690 1.814 -1.333) 4.323 28.999 ( -0.817 -0.132 0.518) 0.976 31.850 ( -1.789 -1.461 -3.685) 4.349 35.239 ( -1.468 -0.955 4.333) 4.673 35.923 ( 12.008 6.970 -0.877) 13.912 ======================= Grid point 334 (179/294) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( -3.517 3.655 13.735) 14.642 0.915 ( -2.647 25.645 13.457) 29.082 1.257 ( 2.836 44.868 10.855) 46.249 2.073 ( 2.377 0.987 -5.918) 6.454 2.262 ( -2.091 13.273 -6.857) 15.085 3.007 ( 1.194 -27.596 9.710) 29.279 3.883 ( 2.578 1.157 -3.635) 4.605 3.998 ( -3.716 7.230 -3.837) 8.989 4.233 ( 7.769 9.851 3.244) 12.958 4.369 ( -6.725 12.425 1.834) 14.247 6.591 ( 1.630 -1.565 -2.699) 3.520 6.694 ( -0.986 7.407 -2.462) 7.868 6.938 ( -0.219 -9.842 -0.309) 9.849 7.747 ( -3.247 -7.871 5.709) 10.251 7.992 ( -1.192 3.028 2.277) 3.972 8.650 ( 2.543 24.865 -24.578) 35.055 11.437 ( 0.036 -0.073 -0.070) 0.108 11.972 ( 0.552 -3.124 -0.576) 3.224 12.234 ( 2.273 10.891 -5.497) 12.410 12.326 ( 0.123 -1.296 -1.003) 1.643 12.404 ( -2.459 1.570 -0.473) 2.955 12.955 ( -0.523 -2.052 -0.092) 2.120 14.492 ( -0.045 -1.416 0.233) 1.436 14.718 ( -0.848 -19.765 6.998) 20.985 18.018 ( 11.921 -3.356 0.572) 12.398 18.058 ( -6.977 2.543 -1.285) 7.537 18.281 ( 6.982 10.060 0.532) 12.257 18.484 ( -9.279 16.973 -9.650) 21.617 26.786 ( -0.149 0.464 -0.006) 0.488 26.899 ( 0.226 11.357 1.075) 11.410 28.045 ( 0.930 0.536 0.037) 1.074 28.587 ( -0.612 19.797 -15.842) 25.362 29.170 ( -0.165 -0.065 4.062) 4.066 29.831 ( -0.704 48.147 -36.596) 60.480 36.376 ( -0.246 -33.908 24.053) 41.573 36.712 ( 0.045 -8.401 -0.241) 8.404 ======================= Grid point 335 (180/294) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 6.343 8.732 1.739) 10.932 1.308 ( 10.872 26.049 9.671) 29.837 1.928 ( 17.836 34.668 6.737) 39.564 2.156 ( 5.568 3.648 -4.149) 7.843 2.412 ( 6.994 11.807 -6.573) 15.216 2.757 ( -5.176 -13.768 8.582) 17.029 3.925 ( -0.764 4.563 -4.233) 6.271 4.029 ( 5.149 4.200 -2.726) 7.182 4.438 ( 1.396 14.083 1.622) 14.245 4.563 ( 10.908 10.525 4.378) 15.778 6.645 ( 5.578 -2.087 -2.707) 6.542 6.741 ( -6.101 -8.845 -1.494) 10.849 6.859 ( 6.244 8.167 -1.035) 10.332 7.618 ( -4.658 -7.843 3.255) 9.685 8.016 ( 1.608 1.408 2.268) 3.116 8.766 ( -1.596 7.075 -17.531) 18.972 11.440 ( 0.276 0.890 -0.078) 0.935 11.917 ( -0.793 -5.755 -1.897) 6.111 12.231 ( -7.622 -2.325 -1.069) 8.040 12.397 ( 6.204 1.159 -3.345) 7.143 12.417 ( 0.508 7.466 0.075) 7.483 12.872 ( -4.517 -5.048 1.166) 6.874 14.421 ( -5.733 -11.187 3.848) 13.147 14.497 ( -3.829 -2.168 0.510) 4.430 17.940 ( -5.877 -0.345 -0.130) 5.889 18.250 ( 5.866 -0.238 -0.015) 5.871 18.529 ( 6.766 8.299 -7.855) 13.280 18.561 ( 10.455 12.384 0.418) 16.213 26.817 ( -0.050 3.646 -0.477) 3.677 27.135 ( 13.070 9.952 2.492) 16.616 28.083 ( 1.060 2.705 0.229) 2.914 28.704 ( 3.276 4.911 -7.899) 9.862 29.120 ( -3.749 -6.362 4.110) 8.452 30.372 ( 19.208 41.109 -41.655) 61.595 36.014 ( -13.309 -21.275 25.601) 35.849 36.552 ( -6.240 -11.261 -1.676) 12.983 ======================= Grid point 336 (181/294) ======================= q-point: ( 0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 14.116 12.322 -8.941) 20.761 1.770 ( 10.164 19.799 6.090) 23.073 2.265 ( 5.227 5.121 0.152) 7.319 2.428 ( 1.760 10.988 -0.733) 11.153 2.559 ( 5.913 5.265 1.575) 8.072 2.915 ( 22.837 13.584 4.913) 27.022 3.979 ( 3.649 4.206 -4.587) 7.214 4.177 ( 7.613 3.251 -2.801) 8.739 4.646 ( 3.587 15.913 3.265) 16.636 4.873 ( 11.648 9.815 2.750) 15.478 6.441 ( -13.805 -8.452 -1.684) 16.275 6.707 ( 3.295 -5.044 -1.312) 6.166 7.105 ( 10.993 5.620 -0.169) 12.347 7.458 ( -5.565 -4.133 -0.925) 6.993 8.099 ( 5.335 0.729 2.770) 6.056 8.656 ( -8.290 -1.204 -9.063) 12.342 11.468 ( 1.302 1.571 0.068) 2.042 11.840 ( -0.410 -5.398 -2.799) 6.094 12.041 ( -11.842 0.535 -1.255) 11.920 12.380 ( -5.503 -1.327 1.265) 5.800 12.521 ( 2.306 -0.862 -0.497) 2.512 12.803 ( 4.628 -2.603 1.392) 5.489 14.248 ( -4.174 -5.210 1.422) 6.825 14.448 ( -1.446 -1.850 -0.358) 2.375 17.841 ( -5.114 -0.885 0.193) 5.194 18.259 ( -1.797 2.158 -1.475) 3.172 18.697 ( 5.475 7.071 -4.995) 10.244 18.899 ( 14.053 5.600 2.142) 15.279 26.846 ( -2.218 6.597 -0.379) 6.970 27.511 ( 19.649 3.685 2.680) 20.170 28.126 ( -1.312 5.902 0.208) 6.049 28.775 ( 3.216 2.161 -2.666) 4.703 28.967 ( -6.365 -6.440 0.941) 9.103 30.937 ( 19.616 25.051 -28.040) 42.410 35.713 ( -10.732 -11.618 19.848) 25.379 36.280 ( -9.933 -11.791 -3.496) 15.809 ======================= Grid point 337 (182/294) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 17.772 11.949 -14.038) 25.606 2.048 ( 3.965 9.826 1.423) 10.691 2.319 ( -0.716 -2.373 3.966) 4.677 2.575 ( 5.209 14.633 1.100) 15.572 2.806 ( 8.764 9.270 2.099) 12.929 3.490 ( 23.365 11.611 2.399) 26.201 4.096 ( 7.379 2.942 -5.310) 9.555 4.337 ( 7.154 4.679 -1.712) 8.718 4.848 ( -1.865 15.523 4.069) 16.156 5.200 ( 15.748 7.154 1.302) 17.345 6.093 ( -14.832 -8.574 -1.598) 17.206 6.672 ( -0.504 -4.593 0.520) 4.650 7.175 ( -6.170 -1.209 0.745) 6.331 7.491 ( 13.443 -0.992 -5.600) 14.596 8.203 ( 3.552 0.299 2.922) 4.609 8.434 ( -11.062 -3.263 -2.257) 11.752 11.501 ( 0.417 0.998 0.158) 1.093 11.727 ( -8.834 -4.443 -1.877) 10.065 11.906 ( -2.831 4.885 -1.368) 5.809 12.221 ( -7.595 -3.513 0.285) 8.373 12.514 ( 0.097 -3.058 1.057) 3.237 12.957 ( 11.664 -0.827 1.668) 11.812 14.165 ( -2.494 -1.122 0.074) 2.736 14.395 ( -1.465 -3.802 -0.393) 4.093 17.743 ( -4.925 -1.109 0.428) 5.066 18.269 ( 2.107 0.551 -1.080) 2.431 18.819 ( 0.677 8.676 -2.103) 8.953 19.141 ( 9.497 0.989 0.615) 9.568 26.874 ( -2.812 8.049 -0.299) 8.532 27.862 ( 18.424 -3.209 1.737) 18.782 28.163 ( -2.390 8.674 0.227) 9.000 28.795 ( -5.665 -4.499 1.369) 7.363 28.851 ( 2.776 1.776 -2.643) 4.224 31.365 ( 14.838 14.011 -14.423) 24.990 35.528 ( -6.544 -6.367 13.119) 15.984 35.973 ( -10.545 -10.248 -4.421) 15.355 ======================= Grid point 338 (183/294) ======================= q-point: ( 0.58 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 14.820 9.386 -17.499) 24.778 2.165 ( 0.848 6.382 -0.140) 6.439 2.305 ( 0.597 -1.685 3.502) 3.932 2.791 ( 4.524 7.123 3.693) 9.211 3.031 ( 3.463 11.770 1.820) 12.403 3.925 ( 15.949 5.519 -0.528) 16.885 4.261 ( 9.819 3.213 -5.261) 11.593 4.511 ( 7.306 5.645 0.738) 9.262 4.888 ( -9.473 11.084 2.316) 14.764 5.467 ( 0.871 -1.287 2.324) 2.795 5.848 ( 2.395 -2.391 -1.020) 3.534 6.642 ( 0.988 -1.327 1.050) 1.959 7.034 ( -8.212 -0.325 0.767) 8.254 7.670 ( 11.676 -8.406 -5.429) 15.377 8.172 ( -5.252 -1.651 1.053) 5.605 8.292 ( -2.913 -0.475 1.508) 3.314 11.484 ( -11.775 4.951 -0.338) 12.777 11.519 ( -0.938 -4.082 -0.764) 4.257 11.970 ( 1.666 4.789 -0.238) 5.076 12.109 ( -1.520 -0.428 -0.467) 1.647 12.469 ( -2.375 -2.859 0.733) 3.789 13.149 ( 11.452 -4.047 2.211) 12.345 14.137 ( -0.697 1.495 -0.320) 1.680 14.314 ( -2.329 -5.329 -0.470) 5.834 17.659 ( -3.470 -1.066 0.668) 3.691 18.332 ( 5.308 -0.864 -0.335) 5.388 18.878 ( -4.066 9.420 -0.434) 10.269 19.264 ( 5.720 -2.010 -0.912) 6.131 26.906 ( -3.300 8.789 -0.212) 9.390 28.053 ( 7.043 -4.113 0.595) 8.178 28.251 ( 3.938 5.803 0.510) 7.031 28.667 ( -4.772 -2.052 -1.186) 5.328 28.915 ( 3.195 0.527 0.003) 3.238 31.643 ( 9.282 6.538 -6.095) 12.886 35.439 ( -2.269 -2.844 7.495) 8.332 35.698 ( -8.841 -7.595 -3.838) 12.271 ======================= Grid point 339 (184/294) ======================= q-point: ( 0.67 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 7.318 5.713 -19.305) 21.421 2.219 ( -1.182 5.294 -0.197) 5.428 2.324 ( 1.749 -1.608 2.261) 3.280 2.887 ( 1.412 -0.063 2.715) 3.061 3.146 ( -4.564 10.620 2.782) 11.889 4.162 ( 9.274 0.553 -2.320) 9.576 4.395 ( 1.400 1.954 -6.219) 6.667 4.715 ( 6.989 5.914 2.536) 9.500 4.822 ( -6.514 5.814 1.351) 8.835 5.247 ( -12.279 -3.940 3.356) 13.325 6.069 ( 13.009 1.994 1.053) 13.203 6.685 ( 3.095 0.123 0.432) 3.128 6.872 ( -8.385 -4.339 1.581) 9.573 7.710 ( 6.148 -4.999 -1.085) 7.998 8.115 ( -3.900 -0.105 -1.729) 4.267 8.240 ( 1.233 -4.605 0.245) 4.773 11.335 ( -8.133 5.866 -0.062) 10.028 11.522 ( 0.621 1.940 -1.231) 2.380 11.987 ( -2.163 2.157 0.656) 3.124 12.183 ( 5.464 3.814 0.543) 6.686 12.379 ( -4.582 -2.960 -0.195) 5.459 13.256 ( 7.373 -10.011 2.316) 12.647 14.169 ( 0.715 1.957 -0.063) 2.085 14.221 ( -1.112 -3.249 -0.775) 3.521 17.612 ( -1.172 -0.445 0.563) 1.375 18.424 ( 6.611 -1.859 0.258) 6.872 18.863 ( -7.834 8.325 0.358) 11.437 19.307 ( 2.840 -2.987 -1.672) 4.448 26.931 ( -4.106 9.036 -0.078) 9.926 28.082 ( 0.405 -1.504 0.366) 1.600 28.358 ( 3.876 -0.766 0.256) 3.959 28.582 ( -3.073 0.059 -1.629) 3.479 28.971 ( 3.194 -0.684 0.410) 3.292 31.791 ( 4.832 1.863 -2.329) 5.678 35.424 ( -0.988 -1.575 1.782) 2.575 35.512 ( -2.962 -3.322 -0.551) 4.484 ======================= Grid point 340 (185/294) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 1.289 2.240 -18.637) 18.815 2.230 ( -2.882 4.083 -0.041) 4.998 2.315 ( -1.327 -3.134 1.630) 3.773 2.871 ( -1.690 -3.023 1.592) 3.812 3.093 ( -12.786 6.895 3.105) 14.854 4.244 ( -2.801 0.563 -2.216) 3.616 4.331 ( -0.603 -2.486 -6.480) 6.967 4.630 ( -14.728 -11.204 0.645) 18.516 4.809 ( -3.519 10.124 2.225) 10.947 5.303 ( 12.244 7.345 4.908) 15.098 6.170 ( -5.612 -4.015 1.554) 7.073 6.674 ( 5.169 -7.482 0.692) 9.120 6.795 ( -1.046 4.405 0.974) 4.631 7.864 ( 10.787 5.117 0.823) 11.967 7.963 ( -5.605 -8.994 -1.828) 10.754 8.248 ( 2.165 -2.618 -1.621) 3.764 11.323 ( -1.696 7.301 0.109) 7.497 11.582 ( 2.016 7.371 -1.452) 7.778 11.977 ( -1.309 1.577 0.972) 2.268 12.246 ( -5.667 -2.287 -0.093) 6.112 12.330 ( 4.988 3.300 0.532) 6.005 13.215 ( 2.708 -16.249 2.235) 16.624 14.119 ( -2.177 -1.722 -0.121) 2.778 14.289 ( 4.574 3.072 -0.542) 5.537 17.618 ( 1.338 1.295 0.175) 1.870 18.518 ( 6.460 -2.978 0.703) 7.148 18.780 ( -9.812 5.918 0.668) 11.478 19.293 ( -0.665 -2.698 -2.052) 3.455 26.942 ( -5.021 8.963 0.079) 10.274 28.042 ( -1.850 -4.764 0.012) 5.110 28.351 ( -2.292 -2.384 0.160) 3.311 28.570 ( 1.019 1.931 -1.319) 2.551 29.008 ( 1.668 -1.052 0.119) 1.975 31.848 ( 1.945 -0.558 -1.524) 2.533 35.333 ( -3.909 -2.654 0.031) 4.725 35.574 ( 7.113 2.161 0.823) 7.480 ======================= Grid point 341 (186/294) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -7.652 -2.329 -16.672) 18.491 2.200 ( -4.433 2.059 0.560) 4.920 2.247 ( -1.839 -3.463 3.314) 5.134 2.790 ( -6.156 -1.032 0.837) 6.297 2.877 ( -16.859 2.296 2.548) 17.205 4.023 ( -19.661 -7.538 -2.064) 21.157 4.216 ( -9.331 -2.892 -1.219) 9.844 4.369 ( -0.059 -5.157 -5.141) 7.282 4.835 ( -4.847 7.202 3.295) 9.286 5.583 ( 2.706 2.232 4.119) 5.411 5.906 ( -5.114 -8.054 1.624) 9.678 6.710 ( -2.255 -0.618 1.122) 2.593 6.929 ( 10.951 7.750 -1.207) 13.470 7.748 ( -6.357 -11.174 -2.329) 13.065 8.118 ( 7.158 1.756 1.142) 7.458 8.278 ( 7.405 2.658 -1.007) 7.932 11.384 ( 1.641 3.759 -0.291) 4.112 11.742 ( 3.867 13.437 -0.479) 13.991 11.979 ( -0.391 0.904 0.237) 1.014 12.126 ( -3.547 -1.884 -1.170) 4.183 12.450 ( 3.614 4.013 1.432) 5.587 13.064 ( 0.612 -19.555 2.274) 19.697 14.093 ( -0.156 0.679 -0.191) 0.722 14.386 ( 3.873 1.255 -0.297) 4.082 17.686 ( 3.419 3.826 -0.098) 5.132 18.570 ( 2.363 -6.415 0.410) 6.848 18.669 ( -7.425 5.510 1.194) 9.323 19.211 ( -5.156 -2.368 -2.428) 6.171 26.937 ( -5.725 8.674 0.202) 10.395 27.906 ( -4.440 -11.608 -0.921) 12.462 28.276 ( -5.227 1.323 1.192) 5.522 28.626 ( 2.931 2.356 -0.902) 3.868 29.006 ( -0.309 -1.201 -0.705) 1.427 31.842 ( -0.499 -1.742 -3.652) 4.077 35.268 ( -1.796 -1.366 3.291) 3.991 35.768 ( 11.391 3.817 -0.708) 12.034 ======================= Grid point 346 (187/294) ======================= q-point: ( 0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( -8.414 9.285 1.707) 12.646 1.344 ( -9.930 27.361 10.956) 31.101 1.891 ( -18.054 34.635 5.515) 39.445 2.089 ( -4.467 1.975 -5.590) 7.423 2.469 ( -7.897 12.322 -5.846) 15.760 2.736 ( 4.744 -13.106 9.594) 16.921 3.896 ( -4.605 0.927 -2.545) 5.343 4.053 ( 0.858 8.145 -3.781) 9.020 4.365 ( -3.336 13.567 1.089) 14.014 4.633 ( -8.919 10.290 4.077) 14.215 6.550 ( 2.649 -1.353 -1.613) 3.384 6.713 ( 2.732 -12.229 -1.114) 12.580 6.945 ( -10.034 7.864 -2.048) 12.913 7.712 ( 0.646 -8.122 3.866) 9.019 8.049 ( 0.846 5.472 2.721) 6.169 8.712 ( 1.856 6.638 -19.352) 20.543 11.440 ( -0.218 1.002 -0.078) 1.028 11.916 ( 2.896 -3.623 -1.492) 4.872 12.195 ( -1.140 -8.175 -1.119) 8.330 12.324 ( 4.017 6.382 -1.525) 7.694 12.503 ( -4.997 2.488 -1.272) 5.725 12.901 ( 5.262 -1.244 0.034) 5.407 14.442 ( 6.302 -11.009 4.060) 13.319 14.488 ( 3.925 -2.607 0.352) 4.725 17.953 ( -5.747 -6.215 -0.300) 8.470 18.196 ( 4.873 13.836 -0.625) 14.682 18.275 ( -4.985 -0.109 -1.114) 5.109 18.791 ( -11.274 11.039 -4.643) 16.448 26.828 ( -1.179 3.311 -0.517) 3.552 27.121 ( -10.946 10.929 2.463) 15.663 28.055 ( -1.399 0.835 0.085) 1.632 28.714 ( -3.184 4.846 -7.339) 9.353 29.135 ( 3.031 -5.197 4.052) 7.254 30.391 ( -19.278 41.496 -42.079) 62.162 36.024 ( 13.089 -20.877 25.608) 35.538 36.549 ( 6.353 -11.454 -1.788) 13.219 ======================= Grid point 347 (188/294) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -3.005 11.724 -0.840) 12.132 1.537 ( -1.786 27.919 9.298) 29.480 2.068 ( 1.919 3.028 -6.100) 7.075 2.195 ( 2.297 37.916 4.962) 38.308 2.502 ( -1.733 14.934 -5.853) 16.134 2.670 ( 0.260 -11.078 9.350) 14.499 3.897 ( 2.903 2.062 -1.934) 4.052 4.106 ( -2.932 6.098 -4.052) 7.887 4.507 ( 1.355 14.055 0.917) 14.150 4.666 ( -1.210 15.782 4.056) 16.340 6.516 ( -0.291 -6.677 -1.824) 6.928 6.709 ( 4.052 -7.359 -0.046) 8.401 6.916 ( -1.189 13.222 -1.634) 13.376 7.579 ( -2.392 -11.596 2.831) 12.174 8.092 ( -3.903 4.994 2.028) 6.654 8.760 ( 2.396 2.188 -15.240) 15.581 11.449 ( -0.118 1.334 -0.142) 1.346 11.886 ( -2.043 -3.989 -1.856) 4.851 12.125 ( 5.307 -9.411 -1.592) 10.921 12.405 ( -1.730 -2.423 0.582) 3.034 12.480 ( 1.740 6.627 -0.399) 6.863 12.928 ( -3.422 1.497 -1.816) 4.153 14.369 ( -1.114 -12.103 2.663) 12.443 14.508 ( 0.548 -2.856 0.112) 2.910 17.928 ( 7.559 -5.695 1.047) 9.522 18.139 ( -3.895 6.289 -3.023) 7.991 18.527 ( 7.125 12.331 -1.534) 14.324 18.694 ( -7.796 10.005 -0.765) 12.707 26.796 ( 0.355 0.671 -0.248) 0.798 27.231 ( -1.174 19.283 3.081) 19.563 28.061 ( 2.364 1.030 0.131) 2.582 28.707 ( -0.416 3.686 -5.149) 6.346 29.102 ( -0.841 -6.982 2.610) 7.501 30.544 ( -0.785 42.891 -35.799) 55.873 35.984 ( -0.454 -21.393 22.403) 30.980 36.465 ( 0.180 -14.592 -2.759) 14.851 ======================= Grid point 348 (189/294) ======================= q-point: ( 0.42 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 5.034 14.899 -6.789) 17.129 1.884 ( 4.848 22.555 8.186) 24.479 2.191 ( 9.399 6.747 -4.221) 12.315 2.473 ( 2.030 2.401 -0.075) 3.144 2.568 ( 0.884 7.094 -0.579) 7.172 2.856 ( 7.760 28.777 6.995) 30.615 3.971 ( 2.282 2.849 -2.920) 4.675 4.118 ( 1.241 5.585 -1.581) 5.935 4.683 ( 6.265 9.770 -0.507) 11.617 4.905 ( 3.871 19.459 3.753) 20.192 6.434 ( 1.170 -15.307 -1.438) 15.419 6.624 ( -3.581 -1.019 -1.668) 4.080 7.128 ( 3.330 15.984 -0.012) 16.327 7.442 ( -0.862 -11.206 1.555) 11.346 8.077 ( -1.366 3.051 1.915) 3.852 8.702 ( -2.932 -4.410 -9.318) 10.717 11.461 ( 0.511 0.462 -0.048) 0.691 11.803 ( -1.458 -2.527 -2.767) 4.021 12.119 ( 2.065 -6.868 -0.566) 7.194 12.342 ( 0.916 -5.815 -0.377) 5.899 12.587 ( 1.905 5.677 1.052) 6.080 12.791 ( -10.870 -0.861 -0.093) 10.904 14.234 ( -1.957 -7.925 1.346) 8.273 14.470 ( -2.182 -1.276 -0.469) 2.571 17.920 ( -2.460 -3.365 0.484) 4.196 18.272 ( 6.372 4.587 -1.049) 7.921 18.565 ( 1.085 3.656 -8.140) 8.989 18.876 ( 5.946 12.891 5.645) 15.278 26.879 ( 6.004 2.555 -0.422) 6.539 27.396 ( 0.434 13.631 2.840) 13.931 28.159 ( 4.298 4.390 0.569) 6.170 28.740 ( 2.272 1.886 -1.656) 3.386 28.992 ( -3.892 -6.700 0.209) 7.751 30.900 ( 8.118 32.249 -25.747) 42.057 35.794 ( -6.434 -15.102 18.531) 24.756 36.260 ( -4.718 -15.121 -4.267) 16.405 ======================= Grid point 349 (190/294) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 10.898 14.630 -9.883) 20.747 2.109 ( 2.324 9.757 1.983) 10.224 2.324 ( -0.810 -1.623 4.150) 4.529 2.647 ( 5.699 15.282 -0.025) 16.310 2.748 ( 12.176 11.129 0.540) 16.504 3.320 ( 12.474 22.505 3.075) 25.914 4.021 ( 2.337 3.030 -4.538) 5.936 4.253 ( 7.196 4.770 0.550) 8.651 4.935 ( 11.447 9.476 1.036) 14.896 5.149 ( 0.864 16.896 1.510) 16.985 6.199 ( -8.864 -14.233 -1.010) 16.797 6.600 ( 1.504 -2.003 -2.103) 3.271 7.271 ( 2.164 5.157 -0.646) 5.629 7.331 ( -3.726 -4.527 -1.083) 5.962 8.147 ( 4.423 1.987 3.448) 5.950 8.530 ( -6.692 -7.549 -3.810) 10.783 11.472 ( 1.412 -1.720 0.090) 2.227 11.785 ( -0.281 3.077 -2.673) 4.085 12.053 ( -4.873 0.613 -0.701) 4.961 12.289 ( -1.366 -8.071 0.027) 8.186 12.540 ( -10.213 3.150 0.063) 10.688 12.736 ( 8.563 -5.234 2.506) 10.344 14.165 ( -0.190 -3.291 0.115) 3.298 14.406 ( -3.135 -1.995 -0.513) 3.751 17.826 ( -4.941 -2.548 0.536) 5.585 18.311 ( -3.523 4.890 -0.547) 6.051 18.721 ( 12.783 1.484 -6.217) 14.291 19.084 ( 3.566 8.048 4.191) 9.749 27.006 ( 1.494 8.456 -0.254) 8.591 27.570 ( 9.843 2.608 1.188) 10.252 28.258 ( 0.517 5.773 0.283) 5.803 28.799 ( 2.176 -1.976 3.451) 4.533 28.861 ( -3.932 -0.949 -3.647) 5.446 31.265 ( 10.230 20.147 -14.515) 26.856 35.607 ( -6.361 -9.504 13.513) 17.703 35.994 ( -7.088 -13.124 -5.160) 15.783 ======================= Grid point 350 (191/294) ======================= q-point: ( 0.58 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 13.270 12.754 -11.170) 21.530 2.223 ( 1.162 6.653 0.055) 6.754 2.298 ( -0.569 -1.254 3.395) 3.663 2.797 ( 2.606 4.051 3.563) 5.991 3.143 ( 7.090 23.073 1.109) 24.163 3.742 ( 13.990 13.012 0.287) 19.108 4.103 ( 7.219 1.564 -5.488) 9.202 4.435 ( 7.450 4.041 1.437) 8.597 5.199 ( -6.221 16.779 2.773) 18.109 5.311 ( 13.297 3.512 -0.098) 13.753 5.882 ( -10.744 -11.674 -0.790) 15.885 6.609 ( 1.522 0.049 -0.435) 1.584 7.189 ( -7.987 -2.581 -1.908) 8.608 7.364 ( 9.057 -4.206 -2.213) 10.228 8.215 ( -0.471 -0.762 2.368) 2.532 8.334 ( -5.042 -7.185 0.243) 8.781 11.482 ( 1.525 -0.859 -0.325) 1.781 11.778 ( -9.313 8.521 -1.324) 12.692 12.007 ( -1.761 5.461 -0.299) 5.746 12.147 ( -4.660 -3.732 -0.078) 5.970 12.461 ( -0.944 -2.688 0.198) 2.856 12.859 ( 12.325 -9.776 2.392) 15.912 14.149 ( 0.351 -0.474 -0.468) 0.753 14.319 ( -3.633 -2.975 -0.408) 4.713 17.709 ( -4.483 -3.986 0.939) 6.072 18.320 ( -1.026 5.689 -0.450) 5.798 18.921 ( 8.498 3.317 -3.197) 9.666 19.182 ( 0.894 2.254 1.637) 2.925 27.094 ( -3.615 13.251 -0.045) 13.735 27.787 ( 14.544 -3.477 0.058) 14.954 28.298 ( -1.140 3.855 0.035) 4.021 28.723 ( -3.987 -2.509 -0.385) 4.727 28.881 ( 1.609 1.049 0.457) 1.974 31.548 ( 8.325 10.216 -6.457) 14.675 35.478 ( -3.811 -5.414 8.485) 10.763 35.737 ( -7.078 -9.713 -4.646) 12.885 ======================= Grid point 351 (192/294) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 8.787 10.261 -13.381) 19.015 2.274 ( 1.490 -0.755 2.031) 2.630 2.321 ( -1.231 6.281 0.883) 6.461 2.856 ( 1.732 -1.766 2.557) 3.557 3.404 ( -4.129 21.627 3.208) 22.250 4.016 ( 8.287 4.328 -2.505) 9.679 4.302 ( 11.679 4.460 -5.805) 13.783 4.585 ( 7.386 -0.189 1.921) 7.634 5.137 ( -14.273 12.760 1.236) 19.185 5.429 ( -9.603 -3.607 2.699) 10.607 5.806 ( 16.273 -0.848 0.196) 16.296 6.626 ( 0.584 -4.454 -0.071) 4.493 7.007 ( -8.974 -0.719 -1.197) 9.082 7.488 ( 11.374 -4.729 -0.852) 12.347 8.162 ( -1.290 -0.882 -0.956) 1.832 8.195 ( -4.623 -9.606 1.794) 10.810 11.517 ( 1.088 4.510 -1.036) 4.753 11.642 ( -14.410 10.425 -0.049) 17.786 12.049 ( -1.525 2.318 0.414) 2.805 12.132 ( 4.403 3.067 0.435) 5.384 12.407 ( -2.170 -3.385 -0.572) 4.061 12.953 ( 11.655 -16.022 2.086) 19.922 14.169 ( 1.851 1.346 -0.625) 2.372 14.224 ( -3.669 -2.717 -0.203) 4.570 17.612 ( -1.632 -4.785 1.026) 5.159 18.380 ( 1.006 5.942 -0.145) 6.028 19.038 ( -1.261 6.390 -0.296) 6.520 19.198 ( 3.036 -3.566 -0.993) 4.787 27.151 ( -6.166 15.059 0.050) 16.272 27.973 ( 9.941 -3.719 -0.206) 10.616 28.306 ( 0.245 -0.471 0.059) 0.534 28.644 ( -3.702 0.618 -1.223) 3.947 28.909 ( 2.211 -1.757 0.944) 2.977 31.718 ( 5.248 3.535 -2.427) 6.777 35.423 ( -0.547 -2.417 3.899) 4.620 35.535 ( -5.177 -6.050 -2.552) 8.362 ======================= Grid point 352 (193/294) ======================= q-point: (-0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 1.572 6.986 -14.544) 16.211 2.292 ( 1.214 -2.498 1.538) 3.175 2.349 ( -3.811 7.001 0.366) 7.979 2.845 ( 0.458 -4.902 1.611) 5.181 3.452 ( -13.074 15.744 4.408) 20.934 4.167 ( 7.147 2.238 -3.588) 8.305 4.377 ( -3.446 0.208 -5.848) 6.790 4.690 ( 0.573 -7.283 -0.026) 7.305 5.042 ( -9.546 13.787 3.126) 17.058 5.269 ( -1.799 2.274 4.057) 4.987 6.121 ( 11.288 1.668 0.804) 11.439 6.474 ( 0.533 -17.998 -0.294) 18.009 6.923 ( -5.549 8.304 -0.473) 9.999 7.686 ( 13.328 1.782 0.503) 13.456 7.967 ( -7.153 -14.634 0.896) 16.313 8.172 ( 2.632 -0.528 -1.905) 3.292 11.521 ( -10.588 9.652 0.264) 14.329 11.623 ( 2.730 10.452 -1.419) 10.896 12.039 ( -2.320 2.459 0.828) 3.481 12.271 ( 6.043 3.602 1.406) 7.174 12.312 ( -4.600 -2.881 -1.149) 5.547 12.936 ( 7.409 -21.489 1.498) 22.779 14.146 ( -2.625 -1.143 -0.022) 2.863 14.235 ( 3.841 1.710 -0.499) 4.234 17.574 ( 2.178 -3.683 0.510) 4.309 18.459 ( 1.481 4.729 0.193) 4.959 18.991 ( -8.364 3.572 0.533) 9.110 19.232 ( 3.776 -2.606 -1.428) 4.805 27.182 ( -7.757 15.241 0.173) 17.102 28.020 ( -0.120 -5.040 -0.179) 5.044 28.308 ( 2.612 -3.740 0.052) 4.562 28.603 ( -2.226 2.703 -0.948) 3.628 28.940 ( 3.593 -2.731 0.338) 4.526 31.797 ( 2.747 0.066 -1.317) 3.047 35.371 ( -3.589 -2.790 -0.739) 4.606 35.486 ( 4.087 -0.569 1.334) 4.337 ======================= Grid point 353 (194/294) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -4.150 4.047 -14.011) 15.163 2.259 ( -1.925 -3.104 1.197) 3.843 2.325 ( -5.749 4.290 0.608) 7.199 2.799 ( -0.610 -4.396 1.472) 4.676 3.308 ( -19.645 10.510 4.112) 22.656 4.233 ( -11.098 -2.173 -4.918) 12.332 4.278 ( 3.721 2.103 -3.268) 5.380 4.405 ( -14.838 -9.108 -0.112) 17.411 5.055 ( -8.106 12.475 2.754) 15.130 5.473 ( 13.677 5.876 4.323) 15.501 5.943 ( -11.485 -18.369 0.981) 21.686 6.621 ( 14.457 1.191 -0.652) 14.521 6.925 ( -2.630 9.421 -1.447) 9.888 7.690 ( -4.538 -16.465 -0.113) 17.079 7.980 ( 13.480 5.217 1.651) 14.549 8.201 ( 2.189 -0.978 -1.567) 2.865 11.460 ( -5.125 5.434 -0.130) 7.471 11.815 ( 4.106 15.074 -0.857) 15.647 12.018 ( -2.635 1.620 0.723) 3.177 12.188 ( -5.574 -2.021 -1.739) 6.179 12.414 ( 5.455 3.209 2.238) 6.712 12.810 ( 4.034 -22.477 0.809) 22.850 14.113 ( -1.121 0.953 0.052) 1.472 14.316 ( 4.323 -0.210 -0.342) 4.341 17.619 ( 5.576 -1.149 -0.193) 5.697 18.506 ( 0.107 0.018 0.465) 0.477 18.873 ( -8.512 4.025 0.271) 9.419 19.236 ( -0.730 -1.853 -0.798) 2.145 27.186 ( -8.907 13.981 0.262) 16.579 27.882 ( -5.459 -10.111 -0.652) 11.509 28.316 ( 0.756 -1.411 0.908) 1.841 28.618 ( 0.637 3.066 -0.193) 3.138 28.968 ( 2.375 -2.504 -0.897) 3.566 31.814 ( 0.626 -1.120 -2.543) 2.849 35.297 ( -2.282 -1.422 1.702) 3.182 35.611 ( 9.116 1.230 -0.304) 9.204 ======================= Grid point 358 (195/294) ======================= q-point: ( 0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -12.256 14.604 -8.706) 20.959 1.815 ( -9.024 22.042 8.822) 25.399 2.194 ( -8.530 4.223 -2.955) 9.967 2.365 ( -2.671 7.280 0.580) 7.776 2.593 ( -4.866 6.104 1.368) 7.925 2.959 ( -22.478 15.721 4.502) 27.797 4.031 ( -9.068 1.908 -1.942) 9.468 4.138 ( -2.785 7.570 -5.340) 9.673 4.554 ( -2.218 12.568 1.500) 12.850 4.924 ( -11.595 10.398 4.266) 16.148 6.365 ( 12.122 -9.274 0.147) 15.264 6.592 ( -2.165 -6.547 -1.711) 7.104 7.242 ( -13.673 5.201 -1.601) 14.716 7.573 ( 7.724 -4.977 0.826) 9.226 8.102 ( -0.268 4.972 2.005) 5.368 8.613 ( 5.829 -2.159 -9.994) 11.769 11.464 ( -0.383 1.659 -0.031) 1.702 11.808 ( 2.653 -3.726 -2.638) 5.281 12.107 ( 4.727 -2.231 -0.759) 5.282 12.297 ( 4.005 -0.678 0.491) 4.091 12.622 ( -9.777 -1.931 -0.332) 9.971 12.759 ( 8.867 -0.906 1.273) 9.004 14.240 ( 5.503 -5.481 1.349) 7.883 14.452 ( 0.256 -1.975 -0.209) 2.002 17.952 ( 2.565 -2.960 0.249) 3.925 18.243 ( -0.102 11.337 -1.414) 11.425 18.399 ( -8.360 -2.670 -1.471) 8.899 19.057 ( -9.306 7.316 -0.768) 11.862 26.872 ( 2.048 7.353 -0.258) 7.638 27.454 ( -16.625 3.107 2.013) 17.033 28.111 ( -2.188 3.821 0.972) 4.509 28.775 ( -2.542 1.062 -1.952) 3.376 29.012 ( 5.917 -3.324 0.166) 6.789 30.949 ( -18.846 25.193 -28.351) 42.351 35.728 ( 10.960 -11.062 19.980) 25.332 36.273 ( 9.910 -12.171 -3.729) 16.132 ======================= Grid point 359 (196/294) ======================= q-point: ( 0.33 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -8.802 13.832 -8.407) 18.425 1.945 ( -7.850 23.256 10.469) 26.685 2.099 ( -5.438 5.531 -5.842) 9.711 2.428 ( 1.085 4.230 -0.874) 4.454 2.600 ( -2.928 8.819 0.410) 9.301 2.882 ( -9.504 25.757 6.640) 28.246 3.923 ( -3.722 3.394 -1.336) 5.211 4.182 ( -1.039 7.026 -4.493) 8.404 4.700 ( -2.486 17.019 1.815) 17.295 4.871 ( -5.522 11.426 2.968) 13.033 6.411 ( 2.246 -16.010 -1.359) 16.223 6.562 ( 6.532 2.426 1.122) 7.058 7.107 ( -7.675 8.790 -1.115) 11.722 7.507 ( -1.703 -11.643 -0.398) 11.774 8.202 ( -0.276 6.866 2.262) 7.234 8.640 ( 4.571 -4.142 -10.107) 11.840 11.476 ( -0.859 2.384 -0.093) 2.536 11.829 ( 4.576 -3.860 -2.386) 6.444 12.013 ( -5.020 -8.286 -0.987) 9.738 12.373 ( 1.596 -4.351 1.334) 4.822 12.477 ( 0.145 -1.775 1.302) 2.206 12.948 ( 6.176 6.682 -2.489) 9.433 14.253 ( 2.476 -8.097 1.507) 8.600 14.450 ( 2.337 -2.094 -0.361) 3.159 17.851 ( -3.650 -4.399 -0.001) 5.716 18.249 ( -3.673 0.501 -2.056) 4.239 18.523 ( 8.077 15.753 0.326) 17.705 18.945 ( -10.519 6.347 0.077) 12.285 26.871 ( -6.859 1.581 -0.791) 7.083 27.439 ( 1.531 17.582 3.583) 18.008 28.078 ( -3.697 1.142 0.689) 3.930 28.739 ( -1.738 0.500 -1.662) 2.456 29.035 ( 1.580 -4.969 -0.107) 5.215 30.916 ( -8.417 32.029 -26.184) 42.217 35.809 ( 5.829 -14.969 18.597) 24.575 36.252 ( 5.095 -15.285 -4.498) 16.728 ======================= Grid point 360 (197/294) ======================= q-point: ( 0.42 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -1.580 14.868 -8.576) 17.237 2.069 ( -0.679 6.276 2.440) 6.768 2.152 ( 1.999 22.101 -0.572) 22.198 2.422 ( 0.432 -5.252 0.985) 5.361 2.666 ( -1.201 10.111 0.877) 10.220 3.163 ( 0.288 34.400 5.347) 34.814 3.954 ( 1.750 4.692 0.992) 5.105 4.195 ( -2.738 5.378 -4.032) 7.258 4.732 ( -3.197 7.429 -0.271) 8.092 5.066 ( 3.335 21.551 1.922) 21.892 6.257 ( 0.562 -15.647 -1.509) 15.729 6.665 ( -0.007 0.873 0.865) 1.229 7.204 ( 6.335 10.823 1.631) 12.646 7.354 ( -3.582 -7.392 -0.417) 8.225 8.198 ( -6.057 4.143 0.924) 7.396 8.609 ( 2.224 -8.907 -7.596) 11.915 11.468 ( -1.503 -0.222 -0.093) 1.523 11.828 ( -3.072 0.749 -2.458) 4.005 11.910 ( 7.470 -10.881 -0.966) 13.233 12.282 ( -1.431 -9.074 0.712) 9.214 12.543 ( 4.049 -0.198 2.396) 4.709 13.024 ( -6.203 8.861 -3.286) 11.305 14.187 ( -0.844 -6.705 1.107) 6.848 14.465 ( 1.099 -2.142 -0.504) 2.460 17.814 ( 4.165 -5.982 0.673) 7.321 18.260 ( 1.773 7.388 -2.856) 8.117 18.675 ( -6.053 4.987 -4.161) 8.878 18.938 ( 2.222 11.177 5.907) 12.836 26.810 ( 0.697 0.889 -0.481) 1.228 27.656 ( -4.826 19.051 4.289) 20.115 28.090 ( 5.649 1.874 0.396) 5.965 28.720 ( 0.371 -0.956 0.052) 1.027 28.981 ( -1.719 -4.053 -1.742) 4.734 31.084 ( -0.469 29.185 -20.054) 35.414 35.758 ( -0.520 -14.161 15.766) 21.198 36.122 ( 0.318 -15.942 -5.458) 16.853 ======================= Grid point 361 (198/294) ======================= q-point: ( 0.50 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 4.801 14.159 -6.816) 16.431 2.138 ( 2.957 3.840 -0.187) 4.850 2.347 ( -1.841 -0.737 2.879) 3.496 2.569 ( 16.587 18.460 -0.286) 24.819 2.755 ( -0.128 8.449 2.387) 8.781 3.513 ( 0.991 28.892 2.688) 29.033 4.046 ( 0.170 6.538 1.635) 6.742 4.210 ( 1.931 4.143 -1.412) 4.784 4.820 ( 7.155 4.367 -1.878) 8.590 5.342 ( 1.697 21.685 0.792) 21.766 6.101 ( -0.407 -16.184 -1.463) 16.255 6.631 ( -3.698 2.625 -1.748) 4.860 7.186 ( -0.774 -13.339 0.589) 13.375 7.459 ( 0.369 14.236 2.094) 14.394 8.151 ( -1.777 3.050 1.288) 3.758 8.488 ( -1.565 -12.050 -4.208) 12.859 11.433 ( 0.155 -2.919 -0.067) 2.924 11.819 ( -0.096 5.086 -2.398) 5.624 11.967 ( 9.369 -8.418 -0.277) 12.598 12.173 ( -0.756 -8.704 0.090) 8.737 12.600 ( 3.701 -3.557 2.034) 5.521 12.895 ( -17.168 9.437 -1.707) 19.665 14.129 ( 0.092 -3.318 0.493) 3.356 14.434 ( -1.852 -2.140 -0.527) 2.879 17.814 ( 1.640 -6.589 0.744) 6.831 18.416 ( 3.505 9.472 -1.324) 10.187 18.572 ( -1.872 1.192 -5.061) 5.526 19.126 ( 3.440 8.273 5.074) 10.297 26.916 ( 9.678 1.466 -0.344) 9.794 27.680 ( -8.606 12.251 1.924) 15.095 28.256 ( 5.719 4.446 0.819) 7.290 28.734 ( 2.793 -3.913 2.980) 5.656 28.907 ( -2.810 0.561 -3.299) 4.370 31.319 ( 3.439 21.483 -12.231) 24.959 35.635 ( -3.718 -10.822 12.139) 16.682 35.926 ( -2.988 -13.913 -5.867) 15.392 ======================= Grid point 362 (199/294) ======================= q-point: ( 0.58 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 9.424 12.787 -3.805) 16.334 2.237 ( 3.097 3.565 -0.162) 4.725 2.315 ( -0.754 -0.095 1.868) 2.017 2.824 ( 0.004 3.740 3.032) 4.814 3.104 ( 20.692 18.792 0.138) 27.952 3.791 ( 1.968 20.573 -0.117) 20.667 4.080 ( -2.740 6.793 -0.813) 7.370 4.347 ( 7.371 3.482 2.375) 8.491 5.048 ( 15.197 2.671 -1.311) 15.485 5.526 ( -4.881 18.711 -0.270) 19.339 5.888 ( -5.575 -15.004 -0.912) 16.033 6.615 ( -1.011 3.450 -2.114) 4.171 7.055 ( 2.199 -13.751 -1.267) 13.983 7.488 ( -9.234 9.121 0.957) 13.015 8.205 ( 2.216 1.341 2.744) 3.773 8.304 ( -3.298 -12.955 -1.383) 13.439 11.437 ( 2.756 -0.783 -0.062) 2.865 11.892 ( 1.488 7.293 -1.639) 7.621 12.052 ( 7.404 -4.513 -0.115) 8.672 12.092 ( 0.294 -6.127 -0.216) 6.137 12.593 ( -4.404 -3.676 0.639) 5.772 12.678 ( -10.073 3.843 0.563) 10.796 14.121 ( 1.155 -1.175 -0.039) 1.648 14.362 ( -3.508 -2.209 -0.430) 4.168 17.733 ( -3.469 -6.229 0.801) 7.175 18.437 ( -4.067 6.247 -0.566) 7.476 18.726 ( 12.381 3.278 -3.853) 13.375 19.231 ( -0.030 3.932 3.044) 4.972 27.141 ( 11.624 4.575 -0.122) 12.493 27.676 ( -2.948 7.757 0.293) 8.303 28.337 ( 0.169 1.964 0.008) 1.971 28.724 ( 0.346 -4.806 1.897) 5.178 28.893 ( -0.932 2.793 -1.105) 3.145 31.533 ( 4.313 12.743 -5.673) 14.601 35.509 ( -3.736 -7.202 8.080) 11.451 35.719 ( -4.380 -10.199 -5.063) 12.199 ======================= Grid point 363 (200/294) ======================= q-point: ( 0.67 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 10.105 11.922 -2.995) 15.913 2.256 ( -0.697 -0.950 0.924) 1.497 2.383 ( 2.754 5.903 0.210) 6.517 2.836 ( -1.079 -1.223 2.147) 2.696 3.610 ( 12.467 19.913 2.001) 23.579 3.965 ( 2.789 5.062 -2.792) 6.419 4.153 ( 3.859 10.676 -1.812) 11.496 4.488 ( 4.804 -0.002 1.889) 5.162 5.363 ( 15.503 2.487 -0.288) 15.704 5.557 ( -12.002 17.634 1.235) 21.367 5.624 ( -4.947 -12.879 -0.796) 13.819 6.581 ( -2.848 -8.302 -0.930) 8.827 7.029 ( 6.725 -3.135 -2.570) 7.852 7.411 ( -6.644 6.144 0.879) 9.092 8.118 ( -2.757 -12.722 0.007) 13.017 8.212 ( -2.042 -2.329 1.570) 3.472 11.514 ( 4.049 4.385 -0.399) 5.982 11.968 ( -4.304 9.227 -0.754) 10.209 12.058 ( 2.528 -4.176 -0.143) 4.884 12.120 ( 0.482 4.537 0.359) 4.576 12.417 ( -7.387 -1.273 -0.143) 7.497 12.637 ( 5.137 -11.992 1.228) 13.103 14.139 ( 1.653 -0.115 -0.316) 1.687 14.274 ( -3.901 -1.662 -0.221) 4.246 17.602 ( -3.844 -6.267 0.877) 7.404 18.462 ( -0.937 7.001 -0.377) 7.073 18.948 ( 10.467 2.272 -2.068) 10.909 19.227 ( -3.637 0.566 1.281) 3.897 27.364 ( 3.129 11.958 0.254) 12.363 27.754 ( 6.968 1.120 -0.578) 7.081 28.319 ( -2.167 -1.533 -0.036) 2.654 28.690 ( -0.931 -0.656 -0.031) 1.139 28.883 ( -1.191 -1.257 0.560) 1.820 31.680 ( 3.367 5.621 -1.948) 6.836 35.424 ( -1.680 -3.962 4.231) 6.035 35.546 ( -4.288 -6.299 -3.163) 8.251 ======================= Grid point 364 (201/294) ======================= q-point: ( 0.75 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 3.353 11.046 -5.694) 12.872 2.245 ( 1.164 -2.294 1.283) 2.874 2.476 ( -0.821 7.748 0.250) 7.795 2.784 ( -0.479 -6.084 1.047) 6.192 3.836 ( -9.034 13.789 7.775) 18.226 4.073 ( 7.318 6.242 -7.210) 12.021 4.357 ( 6.166 4.529 -4.681) 8.969 4.537 ( 5.452 -4.670 1.393) 7.313 5.337 ( -9.045 -5.598 3.144) 11.092 5.449 ( -12.493 16.236 0.786) 20.501 5.838 ( 21.311 3.441 0.193) 21.588 6.327 ( -6.402 -22.269 -1.084) 23.196 7.132 ( -3.735 13.088 -2.107) 13.773 7.468 ( 10.474 1.251 1.228) 10.620 7.908 ( -5.169 -17.688 1.269) 18.471 8.157 ( -1.180 -0.288 -0.787) 1.447 11.649 ( 3.157 7.868 -0.784) 8.514 11.889 ( -14.286 13.641 -0.079) 19.752 12.084 ( 0.701 1.617 0.262) 1.781 12.207 ( 4.670 2.698 1.335) 5.556 12.328 ( -1.105 -3.814 -1.008) 4.097 12.585 ( 6.742 -20.007 0.819) 21.128 14.168 ( 0.678 -0.031 -0.253) 0.724 14.209 ( -1.114 -0.105 -0.099) 1.123 17.506 ( -0.313 -5.101 0.582) 5.144 18.523 ( -0.447 6.541 -0.078) 6.556 19.112 ( 7.073 0.626 -1.045) 7.178 19.139 ( -6.060 -0.650 0.463) 6.113 27.478 ( -5.972 16.361 0.363) 17.421 27.897 ( 8.630 -3.999 -0.608) 9.531 28.245 ( -1.429 -4.841 0.027) 5.047 28.676 ( -2.331 3.108 -0.586) 3.929 28.853 ( 1.675 -4.214 0.637) 4.579 31.756 ( 2.130 1.448 -0.699) 2.669 35.393 ( -1.157 -1.519 -0.037) 1.910 35.436 ( -0.674 -3.142 0.356) 3.233 ======================= Grid point 365 (202/294) ======================= q-point: (-0.17 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -3.989 9.203 -7.410) 12.471 2.246 ( 0.562 -2.526 0.184) 2.595 2.480 ( -6.484 4.632 0.296) 7.974 2.742 ( 2.315 -5.099 1.376) 5.767 3.726 ( -15.180 4.518 6.420) 17.089 4.228 ( 3.419 7.828 -7.559) 11.406 4.356 ( -4.407 1.570 -1.627) 4.953 4.516 ( -5.875 -8.254 -0.189) 10.134 5.308 ( 8.801 0.166 3.654) 9.531 5.393 ( -12.812 16.899 2.165) 21.317 5.919 ( -9.297 -22.112 -0.469) 23.991 6.301 ( 22.992 2.521 -0.545) 23.136 7.138 ( -8.769 13.401 -2.697) 16.240 7.600 ( -5.422 -17.956 0.380) 18.761 7.770 ( 16.066 2.484 2.162) 16.400 8.162 ( 1.214 0.192 -0.548) 1.345 11.647 ( -9.082 3.921 -0.252) 9.896 11.913 ( -0.186 14.382 -0.653) 14.398 12.094 ( -2.855 2.200 0.938) 3.725 12.240 ( -2.748 -2.537 -1.618) 4.076 12.338 ( 5.184 -1.267 2.367) 5.838 12.506 ( 7.769 -15.833 -0.357) 17.640 14.148 ( -1.643 1.131 0.029) 1.995 14.241 ( 3.300 -0.935 -0.227) 3.437 17.503 ( 4.325 -2.562 -0.023) 5.027 18.548 ( -2.494 1.863 0.269) 3.125 19.035 ( -6.118 2.575 0.208) 6.641 19.195 ( 3.108 -1.473 -0.462) 3.470 27.496 ( -9.723 13.319 0.279) 16.492 27.872 ( -3.236 -8.153 -0.481) 8.785 28.244 ( 4.793 -2.121 0.334) 5.252 28.665 ( -2.268 3.165 0.145) 3.896 28.873 ( 4.450 -3.306 -0.517) 5.568 31.787 ( 1.038 0.044 -1.198) 1.586 35.333 ( -2.808 -0.596 0.474) 2.910 35.481 ( 6.035 -0.636 0.063) 6.069 ======================= Grid point 370 (203/294) ======================= q-point: ( 0.25 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -14.720 14.794 -13.753) 24.994 2.075 ( -2.349 9.293 2.337) 9.866 2.306 ( -0.047 -2.856 3.985) 4.902 2.549 ( -9.794 18.540 0.281) 20.970 2.785 ( -6.931 4.827 1.955) 8.669 3.556 ( -24.157 14.642 1.888) 28.311 4.197 ( -6.238 4.240 -1.243) 7.645 4.257 ( -6.461 3.964 -6.677) 10.101 4.690 ( 0.582 9.722 2.588) 10.077 5.279 ( -15.084 10.677 3.632) 18.834 6.032 ( 13.386 -10.644 0.615) 17.113 6.598 ( -3.667 -2.385 -0.818) 4.451 7.249 ( 11.591 -6.156 -1.460) 13.205 7.590 ( -12.408 0.475 -1.129) 12.468 8.171 ( -1.604 3.990 1.085) 4.435 8.417 ( 9.774 -5.066 -3.060) 11.426 11.448 ( 2.791 -0.826 -0.436) 2.943 11.791 ( -2.587 1.617 -1.222) 3.286 11.989 ( 9.905 4.203 -1.650) 10.885 12.164 ( 5.920 -4.799 0.375) 7.630 12.615 ( 7.219 -0.558 1.808) 7.462 12.808 ( -15.421 -6.054 1.005) 16.597 14.140 ( 2.518 -1.959 0.155) 3.194 14.426 ( 0.375 -2.443 -0.285) 2.488 17.833 ( 7.651 -0.825 0.259) 7.700 18.401 ( -4.370 11.011 -1.659) 11.963 18.484 ( -6.389 -5.017 -0.453) 8.136 19.244 ( -5.729 3.800 0.159) 6.877 26.905 ( 3.644 9.278 0.006) 9.968 27.735 ( -15.310 -3.727 0.075) 15.758 28.210 ( -2.507 6.184 2.123) 7.002 28.782 ( 2.076 -3.673 2.434) 4.871 28.920 ( 1.671 3.004 -4.303) 5.507 31.365 ( -14.452 13.934 -14.514) 24.773 35.542 ( 6.993 -5.868 13.285) 16.119 35.963 ( 10.319 -10.685 -4.676) 15.573 ======================= Grid point 371 (204/294) ======================= q-point: ( 0.33 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -12.583 14.095 -12.605) 22.713 2.136 ( -2.247 6.244 1.115) 6.729 2.305 ( 0.129 0.127 5.945) 5.948 2.582 ( -12.180 21.895 -0.554) 25.061 2.755 ( -3.735 7.112 1.472) 8.167 3.357 ( -15.525 20.212 2.051) 25.569 4.058 ( -7.338 3.110 -3.783) 8.822 4.270 ( -1.983 7.609 -2.382) 8.216 4.888 ( 3.126 18.883 2.269) 19.274 5.130 ( -13.007 6.698 3.029) 14.940 6.137 ( 10.133 -13.751 0.963) 17.108 6.538 ( -0.394 2.077 -0.465) 2.164 7.303 ( -3.356 2.676 -1.902) 4.695 7.384 ( -1.598 -11.115 -1.688) 11.356 8.250 ( 2.492 6.184 1.123) 6.761 8.475 ( 5.212 -7.454 -3.482) 9.739 11.493 ( 2.032 0.871 -0.488) 2.264 11.753 ( -1.938 -0.282 -1.502) 2.468 12.044 ( -3.428 -2.486 -0.767) 4.304 12.268 ( 5.805 -4.533 0.826) 7.411 12.494 ( -6.841 -6.676 1.969) 9.759 12.833 ( 12.357 5.613 -1.166) 13.622 14.161 ( 2.060 -2.708 0.307) 3.417 14.395 ( 0.504 -3.482 -0.182) 3.523 17.866 ( -0.803 -5.015 -0.747) 5.133 18.300 ( -5.616 -1.323 -0.406) 5.784 18.574 ( 4.691 15.388 0.012) 16.088 19.159 ( -8.039 3.076 0.482) 8.621 27.021 ( -4.873 6.557 -0.690) 8.199 27.558 ( -1.389 7.297 1.437) 7.565 28.196 ( -5.348 3.259 2.057) 6.592 28.754 ( -1.154 -3.158 1.214) 3.574 28.967 ( 2.193 -0.050 -2.998) 3.715 31.274 ( -9.694 20.059 -14.875) 26.788 35.629 ( 6.331 -9.384 13.668) 17.747 35.978 ( 7.225 -13.303 -5.519) 16.113 ======================= Grid point 372 (205/294) ======================= q-point: ( 0.42 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -7.551 12.946 -10.272) 18.169 2.123 ( -3.391 3.333 -1.696) 5.048 2.344 ( 1.663 0.289 3.884) 4.235 2.543 ( -13.309 19.025 1.466) 23.264 2.790 ( -1.862 7.988 1.982) 8.438 3.485 ( -0.620 26.063 2.595) 26.199 4.026 ( -1.567 7.574 -0.831) 7.778 4.293 ( -3.215 7.035 -1.745) 7.929 4.926 ( -11.589 3.721 1.659) 12.284 5.216 ( 5.004 21.127 0.432) 21.716 6.073 ( 1.905 -16.418 -1.022) 16.559 6.637 ( 5.095 3.081 1.909) 6.253 7.187 ( -3.553 -6.322 0.403) 7.263 7.382 ( 2.747 6.551 -2.164) 7.426 8.318 ( -1.733 3.219 0.526) 3.693 8.433 ( 2.767 -11.342 -3.640) 12.229 11.509 ( -2.099 0.438 -0.140) 2.149 11.696 ( 1.817 -9.284 -0.769) 9.492 11.919 ( -5.725 1.253 -1.960) 6.179 12.211 ( -0.616 -8.669 0.749) 8.723 12.481 ( 3.259 -0.923 2.315) 4.102 13.095 ( 7.509 8.873 -3.082) 12.026 14.146 ( -0.286 -3.465 0.776) 3.562 14.393 ( 3.058 -3.418 -0.307) 4.597 17.763 ( -3.192 -4.365 -0.211) 5.412 18.270 ( 1.745 2.751 -1.413) 3.551 18.788 ( 0.497 9.890 -1.125) 9.967 19.065 ( -4.796 4.869 3.436) 7.650 26.893 ( -8.784 1.314 -0.892) 8.926 27.813 ( 10.293 15.875 3.399) 19.223 28.113 ( -7.156 2.008 1.432) 7.569 28.703 ( -0.871 -3.782 0.982) 4.003 28.967 ( -0.285 -0.574 -2.853) 2.924 31.328 ( -3.660 21.306 -12.528) 24.986 35.651 ( 3.011 -10.936 12.198) 16.657 35.915 ( 3.532 -13.879 -6.089) 15.562 ======================= Grid point 373 (206/294) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -0.098 11.294 -4.754) 12.254 2.118 ( 0.757 2.346 -1.727) 3.010 2.360 ( -0.184 -1.396 0.991) 1.721 2.617 ( 0.207 18.566 2.293) 18.708 2.859 ( -0.723 8.275 2.497) 8.674 3.753 ( 1.929 20.485 2.231) 20.696 4.134 ( 2.207 10.653 2.089) 11.078 4.290 ( -5.176 8.239 -0.748) 9.759 4.801 ( -3.410 0.049 -1.012) 3.557 5.503 ( 3.653 18.407 -1.005) 18.793 5.941 ( 1.125 -12.093 -1.565) 12.245 6.701 ( -0.764 1.820 -0.350) 2.005 7.069 ( -0.991 -10.824 1.011) 10.916 7.570 ( 4.599 14.066 1.778) 14.905 8.254 ( -5.725 -0.062 0.169) 5.728 8.342 ( 1.284 -12.200 -3.092) 12.650 11.420 ( -3.352 -4.360 -0.104) 5.501 11.686 ( 8.353 -10.329 -0.084) 13.284 11.893 ( -1.837 6.048 -2.046) 6.644 12.124 ( -1.101 -5.364 0.121) 5.477 12.520 ( 2.576 -3.370 1.806) 4.610 13.198 ( -5.746 9.798 -2.944) 11.734 14.108 ( -0.589 -2.019 0.754) 2.234 14.404 ( 1.828 -3.754 -0.264) 4.183 17.706 ( 1.793 -4.905 0.299) 5.231 18.392 ( 6.514 7.283 -2.155) 10.006 18.712 ( -10.270 1.145 -2.352) 10.598 19.163 ( 3.103 7.182 5.014) 9.292 26.826 ( 0.753 0.986 -0.470) 1.327 27.978 ( -10.421 8.897 2.071) 13.858 28.169 ( 10.254 6.629 1.804) 12.343 28.662 ( 0.846 -4.897 1.651) 5.236 28.946 ( -1.310 1.707 -2.800) 3.531 31.464 ( -0.243 17.861 -8.237) 19.670 35.600 ( -0.446 -10.051 9.576) 13.889 35.795 ( 0.335 -12.018 -5.905) 13.394 ======================= Grid point 374 (207/294) ======================= q-point: ( 0.58 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 5.958 9.554 2.011) 11.437 2.187 ( 4.861 2.029 -0.725) 5.318 2.339 ( -1.502 0.109 0.444) 1.570 2.859 ( 4.391 6.890 2.054) 8.425 2.980 ( 8.168 12.649 0.465) 15.064 3.949 ( -0.139 12.944 1.765) 13.064 4.267 ( 2.100 2.463 0.601) 3.292 4.327 ( -3.663 19.001 3.392) 19.646 4.836 ( 8.749 -0.844 -2.678) 9.189 5.633 ( 2.581 -5.217 -2.146) 6.203 5.902 ( -2.879 9.563 -1.681) 10.128 6.677 ( -2.944 1.536 -2.432) 4.116 6.932 ( -2.343 -10.615 1.171) 10.934 7.722 ( -3.834 10.371 2.119) 11.258 8.176 ( 0.171 -11.485 0.116) 11.487 8.225 ( -1.943 -1.458 -0.458) 2.472 11.370 ( 2.532 -2.935 -0.083) 3.878 11.748 ( 10.440 -11.076 0.769) 15.240 11.935 ( 0.695 4.860 -1.590) 5.161 12.087 ( -0.093 1.079 -0.473) 1.182 12.513 ( 1.500 -5.756 0.752) 5.996 13.084 ( -17.054 9.772 -1.654) 19.725 14.099 ( 0.483 -0.135 0.385) 0.632 14.372 ( -0.903 -3.895 -0.124) 4.001 17.694 ( 1.321 -5.265 0.377) 5.441 18.545 ( -5.874 -1.021 -2.138) 6.334 18.606 ( 7.735 9.472 -1.498) 12.320 19.268 ( 0.909 3.184 3.497) 4.816 26.937 ( 10.748 0.851 -0.201) 10.783 27.896 ( -8.540 8.404 0.503) 11.993 28.338 ( 2.448 3.098 0.656) 4.002 28.647 ( 2.496 -5.202 2.134) 6.152 28.943 ( -1.383 3.155 -1.554) 3.779 31.603 ( 0.831 12.146 -3.879) 12.777 35.510 ( -2.202 -7.653 6.343) 10.181 35.660 ( -1.746 -8.486 -4.660) 9.837 ======================= Grid point 375 (208/294) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 10.055 8.613 6.217) 14.627 2.280 ( 0.032 1.553 -0.173) 1.563 2.342 ( 4.348 1.621 -0.620) 4.682 2.886 ( -3.322 0.967 1.826) 3.912 3.389 ( 22.293 9.098 -2.841) 24.245 4.013 ( -2.812 5.453 1.913) 6.426 4.339 ( -0.208 7.805 3.421) 8.524 4.463 ( -1.542 11.615 0.469) 11.726 5.061 ( 17.509 0.805 -1.639) 17.604 5.533 ( -0.013 -13.823 -2.681) 14.081 5.950 ( -9.152 18.451 -0.701) 20.608 6.556 ( -6.875 -11.208 -1.524) 13.237 6.873 ( 5.131 -1.064 -0.101) 5.241 7.689 ( -11.071 10.895 0.320) 15.536 8.012 ( -1.341 -14.779 -0.619) 14.853 8.222 ( -0.844 -1.382 2.125) 2.672 11.452 ( 7.053 2.196 -0.118) 7.388 11.821 ( 10.920 -11.845 1.136) 16.151 12.009 ( 3.237 3.986 -1.023) 5.235 12.133 ( 1.421 4.835 -0.476) 5.062 12.464 ( 0.226 -7.237 -0.195) 7.243 12.824 ( -21.946 8.170 -0.462) 23.422 14.117 ( 0.992 0.770 0.058) 1.257 14.305 ( -2.245 -3.420 0.012) 4.091 17.623 ( -3.799 -4.339 0.323) 5.776 18.489 ( 1.070 -0.432 -1.054) 1.562 18.833 ( 7.787 8.233 -1.181) 11.394 19.279 ( -1.992 -0.694 1.842) 2.801 27.193 ( 16.775 1.157 -0.032) 16.815 27.858 ( -6.243 9.055 -0.173) 11.000 28.343 ( -2.294 -1.103 -0.032) 2.546 28.654 ( 2.535 -3.029 1.331) 4.168 28.926 ( -3.137 0.945 -0.378) 3.298 31.703 ( 0.670 6.439 -1.000) 6.550 35.425 ( -1.903 -4.778 3.398) 6.165 35.541 ( -2.802 -4.659 -2.917) 6.170 ======================= Grid point 376 (209/294) ======================= q-point: ( 0.75 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 9.640 7.790 5.340) 13.496 2.249 ( -2.719 0.335 -0.724) 2.833 2.478 ( 6.810 2.958 -0.454) 7.438 2.798 ( -5.851 -2.650 0.260) 6.429 3.830 ( 20.270 -0.880 -7.942) 21.788 4.034 ( -0.473 8.547 7.477) 11.366 4.412 ( 0.268 3.710 3.027) 4.796 4.483 ( -4.742 4.835 -1.648) 6.970 5.367 ( -2.917 -7.998 -1.566) 8.656 5.434 ( 20.999 2.433 -0.702) 21.151 5.938 ( -13.459 18.676 0.941) 23.039 6.234 ( -9.828 -20.652 -1.576) 22.926 7.075 ( 14.876 4.125 0.482) 15.445 7.592 ( -11.921 11.068 -0.524) 16.276 7.824 ( -4.365 -14.847 -0.237) 15.477 8.173 ( -1.736 -2.243 0.916) 2.981 11.635 ( 7.205 6.925 -0.216) 9.995 11.917 ( 12.262 -8.184 0.965) 14.773 12.106 ( 3.576 2.851 -0.590) 4.612 12.202 ( 1.430 3.015 -0.145) 3.340 12.375 ( -2.852 -5.373 -0.688) 6.121 12.506 ( -19.687 2.053 0.315) 19.796 14.148 ( 1.406 1.305 -0.047) 1.918 14.236 ( -2.215 -2.264 0.078) 3.168 17.509 ( -4.333 -2.567 0.219) 5.041 18.540 ( 3.729 0.723 -0.553) 3.838 19.019 ( 5.614 5.518 -0.598) 7.895 19.210 ( -3.732 -2.927 0.844) 4.818 27.510 ( 16.463 2.326 0.159) 16.627 27.844 ( -5.081 6.450 -0.418) 8.221 28.255 ( -4.326 -3.914 0.019) 5.833 28.689 ( 3.028 -0.063 0.557) 3.080 28.852 ( -4.729 -1.158 -0.087) 4.869 31.753 ( 0.388 2.494 0.132) 2.528 35.379 ( 0.024 -2.400 1.359) 2.758 35.452 ( -3.208 -1.459 -1.372) 3.782 ======================= Grid point 377 (210/294) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 2.201 7.764 0.025) 8.070 2.209 ( -0.661 -1.215 0.000) 1.383 2.618 ( 5.123 3.928 0.116) 6.457 2.644 ( -6.501 -5.710 -0.162) 8.654 3.871 ( -2.047 -8.348 0.249) 8.599 4.271 ( 4.494 9.583 -0.303) 10.589 4.438 ( -2.746 3.109 -0.075) 4.149 4.453 ( 3.386 -1.420 0.067) 3.672 5.230 ( -2.359 -4.244 0.160) 4.858 5.823 ( -10.887 -8.244 -1.000) 13.692 5.846 ( -3.085 3.810 0.972) 4.998 5.916 ( 13.921 3.990 -0.046) 14.482 7.409 ( 7.690 12.144 0.020) 14.375 7.531 ( -3.131 -8.187 0.101) 8.766 7.542 ( -4.610 -4.007 -0.121) 6.109 8.156 ( 0.266 0.627 0.002) 0.681 11.754 ( 0.520 0.878 0.001) 1.021 12.114 ( 8.170 -0.456 0.527) 8.200 12.147 ( -3.538 6.414 -1.481) 7.473 12.171 ( -6.333 -11.200 1.001) 12.905 12.251 ( -1.775 5.316 -0.029) 5.604 12.326 ( 2.740 -1.302 -0.018) 3.034 14.187 ( -0.052 1.994 0.008) 1.994 14.189 ( 0.255 -1.771 -0.008) 1.790 17.452 ( -0.400 0.019 0.000) 0.400 18.586 ( 0.251 -0.497 0.000) 0.557 19.117 ( 1.476 -2.529 0.000) 2.928 19.136 ( -1.271 2.922 -0.001) 3.186 27.750 ( -9.135 1.618 0.008) 9.278 27.775 ( 9.554 -1.628 -0.009) 9.692 28.174 ( -0.207 -0.206 0.000) 0.292 28.757 ( -4.692 2.546 0.046) 5.338 28.762 ( 4.529 -2.137 -0.045) 5.008 31.776 ( 0.472 0.947 0.000) 1.058 35.389 ( 1.953 -0.042 -0.010) 1.953 35.390 ( -2.162 -0.339 0.010) 2.189 ======================= Grid point 383 (211/294) ======================= q-point: ( 0.25 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( -11.391 11.432 -16.785) 23.285 2.172 ( -0.275 5.991 0.125) 5.998 2.299 ( -1.452 -1.804 2.939) 3.742 2.879 ( -4.356 17.093 1.647) 17.716 2.922 ( -5.132 0.613 3.143) 6.049 4.050 ( -16.609 9.890 -2.274) 19.464 4.314 ( -2.759 3.978 -1.253) 5.000 4.416 ( -11.472 2.523 -3.933) 12.387 4.743 ( 4.054 8.161 2.884) 9.558 5.520 ( 6.904 -2.217 4.070) 8.315 5.855 ( -10.017 2.192 0.879) 10.292 6.637 ( -1.091 -0.766 -0.292) 1.365 6.968 ( 9.622 -6.928 -0.814) 11.885 7.788 ( -11.751 -3.260 -1.174) 12.251 8.143 ( 10.588 -6.713 1.309) 12.605 8.255 ( -0.540 2.696 -1.650) 3.207 11.377 ( 4.389 0.481 -0.396) 4.433 11.767 ( 12.861 4.568 -0.134) 13.649 11.917 ( -1.977 2.179 -0.695) 3.023 12.095 ( -1.175 0.764 -1.152) 1.814 12.496 ( 5.569 -2.531 1.792) 6.374 13.023 ( -16.212 -7.839 1.633) 18.082 14.105 ( 0.338 -0.076 0.038) 0.348 14.378 ( 2.373 -2.625 -0.422) 3.564 17.701 ( 5.902 -1.219 0.047) 6.027 18.503 ( -1.929 -2.779 -0.189) 3.388 18.598 ( -5.270 8.880 -0.439) 10.336 19.334 ( -2.283 0.527 -0.345) 2.368 26.931 ( 4.423 9.748 0.117) 10.706 27.917 ( -10.400 -3.933 -0.679) 11.139 28.317 ( -2.937 3.425 1.737) 4.834 28.684 ( 4.843 -1.856 0.405) 5.202 28.950 ( -1.800 1.766 -2.018) 3.230 31.640 ( -9.341 6.497 -6.038) 12.881 35.449 ( 2.749 -2.549 7.563) 8.441 35.688 ( 8.466 -7.906 -3.966) 12.243 ======================= Grid point 384 (212/294) ======================= q-point: ( 0.33 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -12.806 12.771 -13.905) 22.813 2.231 ( -1.175 5.533 0.119) 5.658 2.285 ( 0.955 -0.889 3.807) 4.025 2.853 ( -3.517 0.941 1.584) 3.970 3.029 ( -6.363 25.547 3.544) 26.565 3.827 ( -18.612 12.062 -1.198) 22.211 4.187 ( -8.644 0.237 -6.991) 11.119 4.374 ( -1.155 6.682 0.540) 6.803 4.983 ( 7.092 17.059 2.395) 18.629 5.464 ( -15.688 4.677 3.660) 16.775 5.826 ( 9.935 -10.915 2.088) 14.906 6.602 ( -2.927 3.066 -1.398) 4.464 7.088 ( 12.266 -7.548 -3.010) 14.713 7.509 ( -12.554 -5.486 0.053) 13.701 8.252 ( 5.915 -1.825 2.116) 6.542 8.282 ( 4.118 -3.956 -2.218) 6.126 11.449 ( 2.603 1.629 -0.703) 3.150 11.859 ( -5.560 4.706 0.314) 7.291 12.068 ( 4.652 4.488 -1.396) 6.613 12.092 ( 6.561 -2.433 -0.121) 6.998 12.553 ( -3.113 -7.940 2.815) 8.981 12.701 ( -0.774 -2.960 -0.608) 3.120 14.121 ( 1.241 -0.038 -0.010) 1.242 14.357 ( -0.211 -4.029 -0.187) 4.039 17.761 ( 4.716 -5.872 -0.723) 7.566 18.417 ( -6.608 -0.484 0.446) 6.641 18.665 ( 1.018 13.646 -0.100) 13.684 19.281 ( -4.144 -0.115 -0.009) 4.145 27.139 ( 2.754 12.946 0.022) 13.236 27.687 ( -9.484 -0.297 -0.374) 9.496 28.303 ( -2.755 1.750 1.875) 3.764 28.720 ( 1.402 -3.234 1.409) 3.796 28.943 ( 0.444 0.892 -3.026) 3.186 31.547 ( -8.005 10.305 -6.551) 14.601 35.498 ( 4.171 -5.431 8.567) 10.968 35.719 ( 6.887 -9.748 -4.876) 12.893 ======================= Grid point 385 (213/294) ======================= q-point: ( 0.42 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -12.087 10.946 -9.217) 18.731 2.233 ( -4.114 4.158 -0.549) 5.875 2.315 ( 1.485 -0.347 2.368) 2.817 2.839 ( -1.302 3.546 0.709) 3.844 3.079 ( -17.137 19.941 4.769) 26.722 3.756 ( -5.355 18.489 -0.091) 19.249 4.096 ( -0.948 3.341 -5.141) 6.204 4.428 ( -1.860 8.416 1.567) 8.761 5.202 ( -16.695 -0.113 2.172) 16.836 5.312 ( 7.383 20.170 0.558) 21.486 5.850 ( 5.712 -14.572 0.741) 15.669 6.619 ( 0.899 4.689 -0.775) 4.837 7.146 ( 1.432 -10.575 -0.170) 10.672 7.370 ( 2.295 5.055 -1.834) 5.846 8.269 ( 1.675 -7.310 -1.355) 7.621 8.326 ( 3.899 -3.108 1.287) 5.149 11.491 ( 1.664 -0.093 -0.829) 1.861 11.740 ( -11.335 -2.723 0.817) 11.686 12.030 ( -5.089 2.387 -1.652) 5.859 12.143 ( 0.285 -5.385 0.089) 5.394 12.428 ( 1.546 -2.602 2.229) 3.758 12.936 ( 16.800 5.174 -1.933) 17.685 14.134 ( -0.009 -0.231 0.323) 0.397 14.314 ( 0.924 -4.439 -0.102) 4.535 17.747 ( 0.909 -5.931 -1.112) 6.102 18.308 ( -4.889 2.115 0.138) 5.329 18.860 ( 3.644 12.155 0.500) 12.700 19.189 ( -5.474 -0.548 1.002) 5.592 27.112 ( -13.194 3.404 -1.000) 13.663 27.760 ( 9.629 10.704 1.497) 14.475 28.262 ( -4.726 1.898 1.965) 5.459 28.684 ( -1.249 -3.907 1.079) 4.241 28.953 ( 0.973 0.086 -2.750) 2.919 31.538 ( -4.053 12.700 -5.907) 14.582 35.530 ( 3.621 -7.511 8.051) 11.591 35.702 ( 4.562 -9.967 -5.205) 12.134 ======================= Grid point 386 (214/294) ======================= q-point: ( 0.50 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -6.392 9.030 -1.172) 11.126 2.177 ( -4.901 2.758 -0.925) 5.700 2.346 ( 1.402 -0.009 0.661) 1.550 2.849 ( -4.705 7.619 -0.252) 8.958 2.998 ( -8.181 11.537 3.885) 14.667 3.909 ( 0.551 15.761 1.160) 15.814 4.167 ( 2.952 5.682 -0.920) 6.469 4.495 ( -2.990 13.095 1.644) 13.532 4.926 ( -12.486 -3.465 0.336) 12.962 5.549 ( 2.155 1.654 -2.410) 3.632 5.833 ( 5.276 2.589 -0.045) 5.877 6.690 ( 2.452 2.067 -1.180) 3.417 7.025 ( -2.437 -7.855 1.234) 8.316 7.571 ( 9.042 9.141 -0.067) 12.857 8.184 ( -0.504 -10.440 0.025) 10.452 8.330 ( -0.478 -2.120 -0.409) 2.211 11.474 ( -9.661 -8.053 0.138) 12.578 11.510 ( 2.704 -2.686 -0.245) 3.819 11.990 ( -3.441 4.152 -1.394) 5.569 12.106 ( -0.593 -0.468 -0.278) 0.805 12.449 ( 2.253 -3.655 1.912) 4.700 13.239 ( 9.835 6.767 -2.757) 12.252 14.119 ( -1.448 0.298 0.687) 1.630 14.308 ( 3.313 -4.843 -0.106) 5.869 17.678 ( -2.097 -3.644 -0.390) 4.222 18.337 ( 4.594 4.370 -0.698) 6.379 18.895 ( -9.068 2.128 -1.642) 9.458 19.185 ( 2.931 4.315 3.742) 6.419 26.914 ( -9.505 1.297 -0.671) 9.616 28.046 ( 8.678 4.725 1.052) 9.937 28.213 ( -4.157 7.267 2.399) 8.709 28.622 ( -1.176 -4.291 0.848) 4.529 28.963 ( 0.450 1.348 -2.206) 2.624 31.608 ( -0.970 11.997 -4.033) 12.694 35.521 ( 1.686 -7.941 6.193) 10.210 35.651 ( 2.181 -8.255 -4.600) 9.698 ======================= Grid point 387 (215/294) ======================= q-point: ( 0.58 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 0.607 7.527 7.684) 10.774 2.150 ( 0.221 1.590 -0.430) 1.662 2.360 ( -0.176 0.596 -0.087) 0.627 2.877 ( 0.629 6.708 0.223) 6.741 3.031 ( -0.859 6.550 0.993) 6.680 4.074 ( 0.980 11.125 3.763) 11.786 4.249 ( 1.843 2.507 0.974) 3.261 4.600 ( -3.241 16.041 0.246) 16.367 4.748 ( -2.470 -2.218 -0.845) 3.425 5.465 ( 1.564 -14.701 -3.245) 15.136 6.035 ( 3.142 14.866 -1.379) 15.257 6.711 ( -1.180 0.581 -2.783) 3.078 6.920 ( -3.051 -4.803 1.225) 5.820 7.788 ( 6.023 4.572 1.606) 7.730 8.063 ( -1.885 -9.136 1.302) 9.419 8.282 ( -2.756 0.301 -0.806) 2.887 11.304 ( -1.108 -6.091 -0.112) 6.192 11.537 ( 4.387 -4.268 0.644) 6.154 11.966 ( -1.342 0.967 -0.938) 1.902 12.123 ( -0.501 5.631 -0.892) 5.723 12.436 ( 1.180 -5.794 1.004) 5.998 13.355 ( -3.710 6.904 -2.506) 8.229 14.111 ( -0.831 1.916 0.519) 2.152 14.309 ( 2.383 -5.589 0.181) 6.078 17.628 ( 0.408 -2.808 0.056) 2.838 18.518 ( 8.927 6.230 -1.430) 10.980 18.698 ( -10.827 -1.259 -0.959) 10.942 19.286 ( 1.831 2.513 3.094) 4.386 26.842 ( 0.565 0.768 -0.239) 0.982 28.068 ( -4.093 1.705 0.013) 4.434 28.336 ( 3.141 6.355 1.607) 7.269 28.574 ( 0.583 -4.316 1.275) 4.538 28.982 ( -0.099 2.604 -1.311) 2.917 31.699 ( -0.088 8.989 -1.619) 9.134 35.475 ( -0.245 -6.661 3.843) 7.694 35.590 ( 0.194 -5.153 -3.346) 6.148 ======================= Grid point 388 (216/294) ======================= q-point: ( 0.67 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 6.245 6.001 12.801) 15.456 2.215 ( 5.432 1.009 -0.173) 5.527 2.351 ( -1.565 0.731 -0.316) 1.756 2.948 ( -0.764 1.245 1.658) 2.210 3.138 ( 10.698 2.941 -3.638) 11.676 4.151 ( -3.326 6.208 4.593) 8.408 4.309 ( 2.688 -0.370 3.274) 4.252 4.678 ( -0.715 8.792 -2.284) 9.112 4.827 ( 7.636 5.111 0.080) 9.189 5.352 ( 3.226 -11.947 -3.843) 12.958 6.165 ( -1.071 7.061 -1.600) 7.319 6.633 ( -7.947 1.136 -2.309) 8.353 6.837 ( -1.655 -1.900 0.322) 2.541 7.862 ( 1.911 -5.303 -0.820) 5.697 7.947 ( -5.698 0.938 2.279) 6.208 8.247 ( -2.562 0.275 1.077) 2.792 11.318 ( 7.265 -1.755 -0.140) 7.476 11.580 ( 5.817 -5.623 1.325) 8.199 11.981 ( 2.209 1.405 -0.883) 2.763 12.179 ( -0.142 6.482 -0.895) 6.545 12.387 ( 0.497 -6.822 0.240) 6.845 13.244 ( -15.531 6.636 -1.784) 16.983 14.127 ( -0.295 2.695 0.222) 2.720 14.277 ( 0.390 -5.381 0.435) 5.412 17.620 ( 0.535 -1.976 -0.119) 2.051 18.496 ( -5.857 -2.696 -1.049) 6.532 18.772 ( 9.396 7.419 -0.634) 11.989 19.305 ( -1.409 -1.180 2.083) 2.778 26.948 ( 10.777 0.265 0.009) 10.781 28.021 ( -4.252 4.022 -0.318) 5.862 28.377 ( -1.948 0.033 -0.012) 1.948 28.577 ( 3.005 -2.459 1.757) 4.262 28.985 ( -2.038 1.481 -0.539) 2.576 31.764 ( -0.588 5.299 0.303) 5.340 35.413 ( -1.141 -4.691 1.925) 5.197 35.538 ( -1.352 -1.417 -2.127) 2.892 ======================= Grid point 389 (217/294) ======================= q-point: (-0.25 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 9.617 4.014 12.204) 16.048 2.303 ( -1.293 0.636 -0.500) 1.525 2.355 ( 6.400 -0.112 -0.462) 6.417 2.885 ( -5.390 -1.443 -0.588) 5.611 3.415 ( 20.589 -3.107 -4.929) 21.398 4.162 ( -2.934 5.921 5.853) 8.827 4.338 ( 3.110 -5.621 2.409) 6.861 4.673 ( -6.092 1.627 -0.620) 6.336 5.096 ( 18.480 2.339 -0.662) 18.639 5.328 ( 1.251 0.319 -3.776) 3.991 6.085 ( -5.582 -12.596 -1.609) 13.871 6.480 ( -15.758 13.529 0.311) 20.772 6.881 ( 8.764 -0.087 0.084) 8.765 7.729 ( -4.339 -11.271 0.069) 12.077 7.934 ( -7.398 11.989 -0.898) 14.116 8.182 ( -2.857 -3.257 1.687) 4.649 11.515 ( 13.686 3.963 -0.354) 14.253 11.635 ( 7.138 -6.979 1.610) 10.112 12.051 ( 3.885 1.217 -0.635) 4.120 12.226 ( -0.271 3.250 -1.295) 3.509 12.328 ( -0.064 -5.243 0.559) 5.273 12.960 ( -22.569 5.083 -1.134) 23.162 14.154 ( 0.219 2.910 0.080) 2.920 14.228 ( -0.491 -4.047 0.477) 4.105 17.581 ( -3.953 0.349 -0.425) 3.992 18.441 ( 3.323 -3.226 -0.488) 4.657 18.990 ( 6.812 7.076 -0.503) 9.835 19.234 ( -3.627 -4.565 1.426) 6.002 27.200 ( 17.375 -0.361 0.079) 17.379 27.985 ( -4.582 2.548 -0.294) 5.251 28.303 ( -4.141 -2.436 -0.135) 4.806 28.624 ( 3.374 -0.778 1.215) 3.670 28.936 ( -4.314 0.688 -0.380) 4.385 31.788 ( -1.110 2.343 1.214) 2.862 35.360 ( -0.677 -3.142 0.402) 3.239 35.502 ( -2.628 2.124 -0.929) 3.505 ======================= Grid point 390 (218/294) ======================= q-point: (-0.17 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 8.672 1.305 5.782) 10.504 2.260 ( -2.696 0.255 0.453) 2.746 2.474 ( 7.135 -3.212 -0.298) 7.830 2.761 ( -6.123 -0.189 -1.796) 6.384 3.659 ( 13.548 -10.115 -4.571) 17.515 4.256 ( 5.575 6.482 5.259) 10.038 4.338 ( 3.535 -6.008 2.309) 7.343 4.538 ( -5.593 -5.114 -0.703) 7.611 5.307 ( -4.444 4.932 -1.674) 6.847 5.501 ( 22.328 3.644 -1.286) 22.660 5.748 ( -9.800 -22.336 -1.729) 24.452 6.368 ( -16.976 18.816 1.532) 25.389 7.136 ( 18.042 0.918 2.125) 18.190 7.509 ( -7.184 -11.862 -0.281) 13.871 7.864 ( -13.427 12.550 -2.105) 18.500 8.152 ( 0.944 0.169 0.631) 1.148 11.670 ( 4.599 -6.507 1.134) 8.048 11.856 ( 17.596 4.800 -0.335) 18.242 12.102 ( 1.284 -1.980 -0.021) 2.360 12.226 ( 0.539 -0.023 -2.370) 2.430 12.292 ( -1.161 -1.687 1.756) 2.697 12.598 ( -21.703 4.568 -0.636) 22.188 14.175 ( -0.825 -1.194 0.368) 1.497 14.205 ( 0.841 1.915 0.049) 2.092 17.515 ( -4.510 3.245 -0.472) 5.576 18.507 ( 6.209 -2.957 -0.168) 6.879 19.096 ( -2.624 -3.110 0.517) 4.102 19.156 ( 2.395 1.866 0.102) 3.038 27.501 ( 16.833 -2.796 -0.057) 17.063 27.870 ( -6.935 -4.955 0.271) 8.527 28.231 ( -2.924 2.209 -0.262) 3.674 28.677 ( 3.020 -1.367 0.437) 3.343 28.871 ( -4.404 3.216 -0.226) 5.458 31.790 ( -0.713 0.979 1.216) 1.716 35.334 ( 0.975 -2.301 -0.703) 2.597 35.480 ( -3.663 4.523 0.149) 5.822 ======================= Grid point 395 (219/294) ======================= q-point: ( 0.25 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( -4.588 6.466 -17.499) 19.211 2.216 ( 1.254 4.812 -0.277) 4.980 2.337 ( -2.688 -0.763 1.117) 3.009 2.957 ( -1.168 -2.978 1.566) 3.562 3.060 ( 3.463 12.152 3.202) 13.035 4.273 ( -4.543 1.817 -6.033) 7.768 4.359 ( -1.421 -0.445 -1.906) 2.419 4.646 ( -4.122 6.707 0.068) 7.872 4.809 ( -3.650 8.247 2.142) 9.269 5.252 ( 12.036 -4.024 5.484) 13.825 6.138 ( -6.918 2.985 0.976) 7.597 6.605 ( -4.190 -4.438 0.220) 6.107 6.834 ( 2.242 -2.647 0.689) 3.537 7.851 ( 7.110 -3.237 0.394) 7.822 7.980 ( -7.381 -4.579 -0.914) 8.734 8.276 ( -0.320 -1.090 -1.582) 1.948 11.317 ( 5.146 5.214 0.027) 7.326 11.607 ( 7.837 2.556 -1.200) 8.330 11.962 ( -0.329 2.587 0.819) 2.734 12.177 ( -4.386 2.960 -0.675) 5.335 12.380 ( 4.888 -2.937 0.890) 5.771 13.203 ( -12.972 -9.354 2.056) 16.124 14.128 ( -2.465 0.903 0.079) 2.626 14.288 ( 4.530 -2.294 -0.596) 5.112 17.618 ( 2.271 -0.826 0.152) 2.421 18.481 ( -0.820 -5.813 0.263) 5.876 18.764 ( -1.643 11.648 0.195) 11.765 19.339 ( 0.120 -2.378 -1.204) 2.668 26.946 ( 5.023 9.461 0.145) 10.713 28.021 ( -5.075 -1.696 -0.276) 5.358 28.373 ( -1.312 -1.561 0.425) 2.083 28.605 ( 3.144 0.905 -0.757) 3.358 28.982 ( -1.762 -0.997 -0.277) 2.043 31.791 ( -5.034 2.020 -2.265) 5.878 35.425 ( 1.717 -1.952 1.334) 2.922 35.510 ( 2.226 -2.964 -0.127) 3.709 ======================= Grid point 396 (220/294) ======================= q-point: ( 0.33 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -6.743 10.650 -14.678) 19.348 2.267 ( -1.836 -1.179 1.556) 2.680 2.318 ( 1.041 6.354 1.367) 6.583 2.891 ( -2.184 -3.665 1.453) 4.507 3.311 ( 3.329 21.812 4.063) 22.436 4.123 ( -8.490 2.022 -7.668) 11.617 4.392 ( -3.738 4.239 -0.999) 5.740 4.460 ( -12.762 2.070 -0.317) 12.933 5.024 ( 7.842 17.126 2.162) 18.960 5.445 ( 12.627 -6.585 5.507) 15.268 5.932 ( -19.926 2.701 1.022) 20.134 6.549 ( 7.096 -10.830 -0.875) 12.977 6.889 ( 4.091 3.694 -1.638) 5.750 7.690 ( -15.171 -5.362 0.220) 16.093 7.994 ( 12.018 -8.261 1.094) 14.624 8.260 ( 0.447 -2.026 -1.491) 2.555 11.451 ( 2.004 6.958 -0.078) 7.241 11.846 ( 15.081 3.737 -1.232) 15.586 11.988 ( -1.925 4.865 0.978) 5.323 12.140 ( -3.061 3.792 -1.218) 5.023 12.444 ( 5.775 -3.845 1.773) 7.161 12.809 ( -16.690 -13.697 0.896) 21.610 14.117 ( -0.254 1.102 0.063) 1.132 14.309 ( 1.454 -3.675 -0.356) 3.968 17.629 ( 2.693 -5.536 -0.241) 6.161 18.472 ( 0.772 1.125 0.578) 1.481 18.820 ( -3.810 11.054 0.052) 11.692 19.305 ( -0.690 -2.939 -0.656) 3.089 27.190 ( 7.312 15.187 0.275) 16.858 27.862 ( -10.684 -1.273 -0.581) 10.776 28.335 ( -0.772 -2.145 0.780) 2.410 28.667 ( 2.808 0.144 0.113) 2.814 28.935 ( -1.071 -2.355 -1.155) 2.833 31.717 ( -5.337 3.702 -2.409) 6.928 35.433 ( 1.259 -2.717 3.410) 4.539 35.525 ( 4.534 -5.765 -2.128) 7.636 ======================= Grid point 397 (221/294) ======================= q-point: ( 0.42 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -12.074 9.690 -8.061) 17.454 2.256 ( 1.709 -0.483 0.956) 2.017 2.379 ( -3.047 5.833 0.555) 6.604 2.847 ( 0.732 -2.113 0.924) 2.420 3.554 ( -7.953 22.115 6.322) 24.337 4.017 ( -5.667 7.140 -5.744) 10.774 4.159 ( -10.711 2.671 -3.180) 11.488 4.493 ( 2.370 3.927 1.405) 4.797 5.355 ( 5.947 16.067 0.302) 17.135 5.528 ( -7.616 1.601 4.504) 8.992 5.615 ( -2.333 -10.360 -0.254) 10.623 6.589 ( 7.508 -7.168 -1.641) 10.510 7.010 ( 2.860 3.609 -0.802) 4.674 7.422 ( -6.941 -2.227 -0.107) 7.290 8.112 ( 9.848 -7.771 0.603) 12.559 8.231 ( 0.456 -4.851 -0.174) 4.875 11.513 ( -1.660 5.196 -0.327) 5.465 11.945 ( -10.790 1.516 1.335) 10.977 12.062 ( 4.335 -0.196 -0.430) 4.360 12.141 ( -2.383 3.821 -1.739) 4.827 12.396 ( -2.891 -7.163 2.031) 7.987 12.660 ( 14.285 -1.801 -0.942) 14.429 14.134 ( 0.634 1.290 0.110) 1.442 14.272 ( -0.654 -4.113 -0.048) 4.165 17.620 ( 4.177 -6.712 -0.897) 7.956 18.451 ( -6.309 2.974 0.590) 7.000 18.919 ( 2.527 10.969 0.724) 11.280 19.242 ( -2.873 -3.554 -0.254) 4.577 27.372 ( -8.090 9.081 -0.527) 12.173 27.741 ( 1.622 5.983 0.559) 6.225 28.308 ( -0.277 -2.060 0.966) 2.292 28.680 ( -1.062 -1.333 0.766) 1.869 28.910 ( 1.806 -2.220 -1.831) 3.397 31.681 ( -3.222 5.681 -2.052) 6.846 35.438 ( 2.021 -4.327 3.795) 6.100 35.533 ( 4.050 -5.955 -2.811) 7.731 ======================= Grid point 398 (222/294) ======================= q-point: ( 0.50 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -11.028 7.268 1.550) 13.298 2.297 ( -0.310 2.179 -0.651) 2.295 2.331 ( -4.256 1.144 0.144) 4.409 2.879 ( 2.836 0.369 0.047) 2.861 3.419 ( -22.148 10.534 2.279) 24.631 4.033 ( 0.585 7.352 -4.395) 8.586 4.187 ( 1.339 8.644 4.930) 10.041 4.602 ( 3.608 7.535 0.235) 8.358 5.154 ( -17.781 -3.947 -0.182) 18.215 5.482 ( -1.056 -10.499 -2.385) 10.818 5.797 ( 9.788 16.230 1.095) 18.985 6.648 ( 5.792 -2.744 -2.107) 6.746 6.969 ( -2.641 -6.960 2.357) 7.809 7.494 ( 7.560 8.264 -1.363) 11.283 8.142 ( -1.441 -3.383 0.964) 3.801 8.215 ( 7.126 -8.823 -0.074) 11.341 11.506 ( -3.578 2.492 0.015) 4.361 11.638 ( -15.736 -6.418 0.302) 16.997 12.059 ( -2.408 -0.305 -0.508) 2.479 12.149 ( -1.020 6.382 -1.363) 6.605 12.380 ( 2.058 -3.882 2.057) 4.852 12.995 ( 20.707 1.341 -1.845) 20.832 14.157 ( -0.464 2.310 0.459) 2.401 14.223 ( 0.470 -4.348 -0.089) 4.374 17.633 ( 3.243 -4.269 -0.945) 5.444 18.375 ( -4.442 4.051 0.327) 6.020 19.041 ( -4.064 4.336 -0.694) 5.984 19.169 ( 1.888 -0.698 1.848) 2.733 27.159 ( -16.261 2.025 -0.714) 16.402 27.959 ( 8.511 7.110 1.099) 11.144 28.296 ( 0.004 0.538 1.007) 1.142 28.624 ( -2.773 -2.572 0.657) 3.838 28.936 ( 2.765 -0.048 -1.517) 3.155 31.705 ( -0.592 6.259 -1.154) 6.392 35.437 ( 1.838 -5.117 3.090) 6.254 35.531 ( 2.902 -4.366 -2.667) 5.882 ======================= Grid point 399 (223/294) ======================= q-point: ( 0.58 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -4.902 6.282 11.667) 14.128 2.217 ( -5.754 1.375 -0.015) 5.916 2.350 ( 1.685 0.134 -0.591) 1.791 2.920 ( 0.781 0.797 -0.731) 1.334 3.181 ( -11.970 3.644 -0.344) 12.517 4.143 ( 3.319 7.566 -0.691) 8.291 4.262 ( -0.567 1.403 6.320) 6.499 4.744 ( -0.055 7.890 -0.416) 7.902 4.852 ( -9.683 -1.774 -1.299) 9.930 5.318 ( -2.224 -10.886 -3.470) 11.641 6.088 ( 5.281 12.792 -0.664) 13.855 6.716 ( 3.127 1.250 -2.433) 4.155 6.878 ( 0.412 -7.854 1.105) 7.942 7.699 ( 6.691 5.286 -0.192) 8.530 8.063 ( -2.960 -4.126 2.893) 5.844 8.256 ( 4.378 -3.223 -0.908) 5.512 11.334 ( -9.086 -3.862 0.035) 9.873 11.505 ( -1.570 1.009 0.440) 1.918 12.001 ( -2.869 -0.623 -0.618) 3.000 12.201 ( -0.911 7.597 -1.282) 7.758 12.362 ( 0.923 -5.952 1.479) 6.202 13.304 ( 12.934 0.771 -2.234) 13.148 14.165 ( -1.501 2.942 0.336) 3.319 14.209 ( 2.272 -3.727 0.249) 4.372 17.621 ( -0.798 -1.551 -0.339) 1.777 18.429 ( 5.562 4.887 -0.205) 7.407 18.876 ( -11.202 -2.716 -0.900) 11.562 19.267 ( 3.716 1.655 2.129) 4.591 26.934 ( -10.005 0.897 -0.324) 10.050 28.083 ( 1.945 -0.370 0.316) 2.005 28.352 ( 2.654 3.814 0.857) 4.725 28.555 ( -2.043 -2.510 0.822) 3.339 28.985 ( 1.970 1.652 -0.845) 2.707 31.764 ( 0.600 5.067 0.203) 5.106 35.418 ( 0.895 -4.922 1.894) 5.350 35.533 ( 1.563 -1.236 -2.110) 2.902 ======================= Grid point 400 (224/294) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 0.391 4.896 17.616) 18.288 2.174 ( -0.088 0.611 0.497) 0.792 2.365 ( 0.312 -0.385 -0.360) 0.612 2.931 ( 1.765 -0.744 -0.343) 1.945 3.067 ( -2.211 -2.853 -3.067) 4.737 4.208 ( -0.595 -2.009 3.458) 4.044 4.313 ( 2.432 2.056 4.656) 5.641 4.661 ( -2.585 2.009 -1.855) 3.763 4.842 ( 1.160 -5.675 -1.810) 6.069 5.243 ( 0.683 4.128 -3.159) 5.243 6.198 ( -0.619 0.518 -1.310) 1.539 6.747 ( -1.687 4.794 -2.989) 5.896 6.830 ( 0.965 -5.306 -0.140) 5.395 7.801 ( 0.478 1.853 -0.401) 1.956 8.003 ( -0.450 -2.187 3.776) 4.386 8.287 ( 0.425 0.362 -0.080) 0.564 11.235 ( -0.042 0.228 0.027) 0.233 11.504 ( 0.538 -0.097 1.015) 1.153 11.967 ( -0.096 0.402 -0.690) 0.804 12.253 ( -1.133 5.936 -1.559) 6.241 12.313 ( 0.578 -5.997 1.152) 6.134 13.419 ( 0.046 0.637 -2.363) 2.448 14.168 ( 0.247 -0.761 -0.065) 0.803 14.216 ( 0.050 0.622 0.861) 1.064 17.598 ( -0.161 -0.163 -0.109) 0.253 18.603 ( -1.507 1.225 -1.149) 2.256 18.669 ( 1.123 0.510 0.028) 1.234 19.309 ( 0.253 -1.677 1.834) 2.498 26.851 ( 0.274 0.218 -0.020) 0.351 28.083 ( -0.690 0.060 -0.252) 0.737 28.391 ( -0.488 -2.280 -0.326) 2.354 28.534 ( 1.019 0.395 1.733) 2.049 29.016 ( -0.108 1.009 -0.326) 1.066 31.816 ( 0.092 3.010 1.562) 3.393 35.382 ( -0.081 -4.126 0.342) 4.141 35.550 ( 0.071 2.691 -1.159) 2.931 ======================= Grid point 401 (225/294) ======================= q-point: (-0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 4.616 2.123 16.918) 17.664 2.223 ( 4.911 -0.293 0.165) 4.922 2.346 ( -1.284 -1.608 -0.186) 2.066 2.931 ( -2.398 -3.047 -0.899) 3.980 3.060 ( 11.815 -7.392 -3.924) 14.478 4.171 ( 1.764 -8.624 2.790) 9.234 4.335 ( -2.748 1.528 5.793) 6.591 4.675 ( -1.087 -8.869 -3.245) 9.507 4.831 ( 12.443 -1.167 -1.361) 12.572 5.363 ( 1.468 13.220 -2.419) 13.519 6.064 ( -6.979 -11.992 -1.309) 13.936 6.770 ( 1.611 -3.972 -1.293) 4.477 6.791 ( -3.918 10.399 -0.715) 11.136 7.749 ( -6.357 -1.089 0.836) 6.504 8.038 ( 2.496 2.070 2.086) 3.855 8.260 ( -4.581 1.610 -0.389) 4.871 11.334 ( 8.675 4.168 0.067) 9.625 11.527 ( 2.435 -1.207 1.173) 2.960 12.002 ( 2.833 1.340 -0.589) 3.189 12.227 ( -0.495 -4.850 -1.241) 5.031 12.317 ( -0.304 3.205 0.820) 3.322 13.304 ( -12.733 0.269 -2.286) 12.940 14.161 ( 1.474 -2.923 0.231) 3.282 14.224 ( -1.975 3.515 0.683) 4.089 17.614 ( 0.884 1.483 -0.571) 1.818 18.428 ( -6.257 -3.460 -0.313) 7.157 18.889 ( 10.913 4.478 -0.535) 11.808 19.256 ( -3.165 -4.829 1.891) 6.075 26.947 ( 10.467 -0.434 0.082) 10.477 28.060 ( -2.902 0.226 -0.342) 2.931 28.315 ( -1.784 -6.049 -0.181) 6.309 28.582 ( 2.098 1.520 1.480) 2.983 28.998 ( -2.244 0.228 -0.384) 2.288 31.834 ( -1.080 1.119 2.422) 2.879 35.338 ( -0.517 -3.115 -1.190) 3.375 35.580 ( -1.644 6.148 -0.101) 6.365 ======================= Grid point 402 (226/294) ======================= q-point: (-0.17 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 7.198 -1.292 10.565) 12.849 2.277 ( -0.587 -3.239 -0.900) 3.413 2.328 ( 5.205 -2.671 0.174) 5.853 2.828 ( -3.986 -2.772 -2.825) 5.617 3.247 ( 18.634 -10.530 -2.101) 21.506 4.119 ( 4.655 -13.311 2.374) 14.300 4.336 ( -0.397 1.757 5.229) 5.530 4.515 ( -2.474 -10.709 -2.943) 11.378 5.127 ( 19.008 1.247 -0.278) 19.051 5.472 ( -2.180 8.067 -3.480) 9.052 5.750 ( -11.974 -13.199 -0.035) 17.821 6.715 ( -4.180 1.797 0.066) 4.551 6.936 ( 6.872 9.659 1.281) 11.924 7.570 ( -10.542 -5.389 1.122) 11.892 8.118 ( 1.425 5.087 -0.402) 5.298 8.175 ( -7.705 4.647 -0.760) 9.030 11.537 ( 4.462 -2.079 1.071) 5.038 11.631 ( 13.955 5.687 0.026) 15.069 12.065 ( 2.520 0.760 -0.207) 2.640 12.174 ( 0.892 -4.054 -1.359) 4.368 12.333 ( -1.620 2.089 1.284) 2.939 12.991 ( -20.509 -1.021 -2.049) 20.636 14.163 ( 0.957 -2.349 0.607) 2.608 14.233 ( -1.067 4.421 0.255) 4.555 17.629 ( -2.717 4.617 -1.096) 5.468 18.370 ( 3.647 -3.374 0.123) 4.970 19.089 ( 7.390 2.036 -0.481) 7.680 19.125 ( -4.955 -6.361 1.832) 8.269 27.181 ( 16.365 -1.636 -0.053) 16.447 27.932 ( -7.892 -7.331 0.285) 10.775 28.261 ( 0.550 -1.660 -0.107) 1.752 28.636 ( 1.792 1.182 0.921) 2.335 28.958 ( -2.701 1.705 -0.684) 3.267 31.823 ( -1.478 0.112 2.572) 2.969 35.299 ( -0.056 -2.335 -2.094) 3.137 35.609 ( -3.554 8.252 0.631) 9.007 ======================= Grid point 407 (227/294) ======================= q-point: ( 0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -0.063 2.639 -16.157) 16.371 2.225 ( 2.574 3.655 -0.091) 4.471 2.344 ( 1.259 -1.906 0.362) 2.313 2.913 ( 1.978 -5.076 2.847) 6.148 3.033 ( 11.732 7.981 1.436) 14.262 4.199 ( 8.566 -3.159 -2.856) 9.566 4.389 ( -2.758 -1.892 -5.254) 6.228 4.646 ( 8.114 -5.697 2.622) 10.255 4.821 ( 7.061 10.897 0.837) 13.012 5.330 ( -11.639 8.160 4.340) 14.862 6.054 ( 6.620 -11.725 0.841) 13.491 6.757 ( 4.685 0.375 1.333) 4.886 6.786 ( -10.742 2.089 0.277) 10.947 7.753 ( -3.645 -5.388 -0.021) 6.505 8.062 ( -0.547 2.112 -2.541) 3.349 8.257 ( -2.646 -3.700 0.209) 4.554 11.335 ( 0.591 9.679 -0.074) 9.698 11.538 ( 2.505 1.344 -1.013) 3.017 11.995 ( 0.128 3.255 0.740) 3.340 12.212 ( 2.902 -2.694 1.577) 4.262 12.329 ( -2.058 1.355 -1.502) 2.886 13.279 ( -6.226 -10.750 2.658) 12.704 14.163 ( 2.779 0.030 -0.256) 2.791 14.230 ( -3.666 -0.160 -0.559) 3.712 17.609 ( -0.837 1.163 0.536) 1.529 18.425 ( -0.108 -6.843 0.347) 6.853 18.883 ( 1.672 11.567 0.744) 11.711 19.277 ( 2.230 -5.071 -2.292) 5.995 26.946 ( 5.593 8.824 0.147) 10.449 28.059 ( -1.583 -2.241 -0.016) 2.744 28.317 ( 4.152 -4.505 -0.423) 6.141 28.596 ( -0.244 2.428 -1.222) 2.729 28.992 ( -1.260 -2.009 0.657) 2.461 31.854 ( -2.046 -0.238 -1.508) 2.553 35.332 ( 3.695 -2.635 0.189) 4.543 35.576 ( -6.945 2.166 0.685) 7.307 ======================= Grid point 408 (228/294) ======================= q-point: ( 0.33 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 0.558 7.568 -13.050) 15.096 2.299 ( -1.534 -0.834 0.370) 1.785 2.350 ( 2.778 5.523 0.645) 6.216 2.873 ( -0.895 -5.944 1.908) 6.306 3.374 ( 12.120 15.835 3.351) 20.220 4.228 ( -5.375 0.352 -7.503) 9.236 4.352 ( 5.352 -0.242 -0.315) 5.367 4.671 ( -2.855 -4.386 -0.266) 5.240 5.087 ( 6.893 17.611 1.177) 18.948 5.282 ( -0.560 1.750 5.514) 5.812 6.072 ( 8.412 -11.161 0.856) 14.002 6.483 ( -19.785 -6.143 -0.279) 20.719 6.885 ( 5.065 8.260 -0.736) 9.717 7.726 ( 7.587 -9.050 0.666) 11.829 7.927 ( -14.781 -1.758 0.576) 14.896 8.199 ( 1.788 -4.226 -1.776) 4.920 11.512 ( 3.325 13.741 0.277) 14.140 11.650 ( 9.749 2.660 -1.533) 10.221 12.044 ( 0.701 4.198 0.846) 4.339 12.216 ( -1.461 0.675 0.659) 1.740 12.332 ( 2.895 -1.926 -0.341) 3.494 12.946 ( -15.203 -16.669 1.522) 22.612 14.155 ( -2.429 1.685 0.028) 2.956 14.233 ( 3.061 -2.544 -0.565) 4.020 17.576 ( -1.932 -3.354 0.520) 3.905 18.437 ( 4.225 1.389 0.252) 4.455 18.985 ( -2.575 9.467 0.397) 9.819 19.248 ( 1.794 -5.587 -1.347) 6.021 27.200 ( 8.923 14.867 0.183) 17.341 27.985 ( -4.432 -2.603 -0.199) 5.144 28.302 ( 0.048 -4.788 0.050) 4.789 28.634 ( 2.135 2.331 -0.910) 3.289 28.933 ( -2.523 -3.488 0.326) 4.317 31.801 ( -3.016 0.184 -1.324) 3.299 35.365 ( 3.357 -2.705 -0.665) 4.362 35.491 ( -3.891 -0.635 1.261) 4.139 ======================= Grid point 409 (229/294) ======================= q-point: ( 0.42 0.75 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( -4.574 9.349 -8.108) 13.193 2.239 ( -1.395 -1.988 1.362) 2.785 2.473 ( 1.034 7.643 0.527) 7.730 2.795 ( -0.194 -6.589 0.898) 6.652 3.758 ( 9.736 16.398 6.811) 20.250 4.112 ( -6.719 4.239 -8.443) 11.593 4.439 ( -0.887 1.337 -2.209) 2.731 4.467 ( -9.825 -1.543 1.315) 10.032 5.342 ( 6.689 -6.775 3.618) 10.185 5.425 ( 8.394 21.220 1.067) 22.845 5.946 ( -22.726 -1.527 -0.621) 22.786 6.224 ( 13.173 -19.320 0.373) 23.387 7.086 ( 3.541 15.208 -1.756) 15.713 7.586 ( -15.750 -4.982 0.733) 16.535 7.818 ( 11.526 -11.100 1.053) 16.037 8.183 ( 0.591 -3.265 -0.919) 3.443 11.633 ( -2.494 9.787 0.079) 10.100 11.928 ( 13.157 6.207 -1.227) 14.599 12.098 ( -1.130 4.678 0.980) 4.912 12.203 ( -1.167 2.527 -0.453) 2.820 12.365 ( 2.530 -4.861 1.344) 5.643 12.509 ( -10.720 -15.708 -0.243) 19.018 14.148 ( -0.523 1.895 0.033) 1.967 14.237 ( 0.728 -3.106 -0.170) 3.195 17.511 ( 0.443 -5.122 -0.150) 5.143 18.535 ( 1.247 3.806 0.506) 4.037 19.014 ( -2.233 7.693 0.379) 8.020 19.217 ( 0.521 -4.903 -0.695) 4.979 27.510 ( 6.391 15.562 0.089) 16.823 27.842 ( -8.330 -1.305 -0.027) 8.432 28.254 ( 1.141 -5.615 0.165) 5.733 28.693 ( 1.003 2.436 -0.184) 2.641 28.853 ( -0.771 -4.791 -0.311) 4.862 31.758 ( -2.249 1.470 -0.753) 2.790 35.389 ( 2.005 -1.616 -0.683) 2.664 35.439 ( -0.140 -3.021 0.989) 3.182 ======================= Grid point 410 (230/294) ======================= q-point: ( 0.50 0.75 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -11.652 5.764 1.889) 13.136 2.254 ( 3.092 0.077 -0.653) 3.161 2.478 ( -6.909 3.272 -0.144) 7.646 2.790 ( 5.261 -3.271 -0.214) 6.199 3.906 ( -21.525 3.089 -4.510) 22.209 4.011 ( 4.350 4.979 3.640) 7.547 4.316 ( -3.227 7.248 3.544) 8.690 4.547 ( 6.788 2.155 -0.703) 7.157 5.358 ( 3.073 -8.634 -1.152) 9.236 5.461 ( -21.747 -2.773 -1.826) 21.999 5.835 ( 7.876 20.403 0.956) 21.891 6.321 ( 16.673 -16.839 0.203) 23.697 7.115 ( -13.498 2.961 1.333) 13.883 7.480 ( 4.371 9.782 -1.223) 10.784 7.917 ( 12.967 -12.964 -0.388) 18.340 8.150 ( -1.015 -1.476 0.620) 1.896 11.644 ( -5.357 6.604 0.273) 8.508 11.886 ( -18.820 -5.456 0.555) 19.602 12.088 ( -0.718 1.813 -0.521) 2.019 12.221 ( 0.010 5.186 -1.579) 5.421 12.315 ( 2.094 -2.712 1.590) 3.777 12.592 ( 21.442 -4.486 -0.740) 21.919 14.166 ( 0.335 0.793 0.070) 0.864 14.208 ( -0.586 -1.180 0.133) 1.324 17.512 ( 4.492 -3.083 -0.568) 5.477 18.521 ( -5.879 3.068 0.293) 6.638 19.103 ( 3.217 6.517 0.841) 7.316 19.144 ( -3.017 -5.513 -0.435) 6.299 27.483 ( -17.191 2.948 -0.605) 17.452 27.890 ( 7.773 5.592 0.862) 9.614 28.244 ( 3.371 -3.530 0.173) 4.884 28.672 ( -4.070 -0.262 0.364) 4.094 28.859 ( 4.672 -1.126 -0.676) 4.853 31.753 ( -0.416 2.365 0.030) 2.402 35.386 ( 0.178 -2.607 1.251) 2.897 35.445 ( 3.050 -1.260 -1.270) 3.536 ======================= Grid point 411 (231/294) ======================= q-point: (-0.42 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -8.546 3.909 11.442) 14.806 2.304 ( 2.767 -0.634 -0.987) 3.006 2.352 ( -8.149 0.335 -0.311) 8.161 2.858 ( 4.609 -1.907 -1.118) 5.111 3.493 ( -21.664 -2.829 -3.542) 22.133 4.136 ( 3.524 5.891 2.736) 7.390 4.320 ( -2.942 -1.707 5.401) 6.383 4.691 ( 6.974 -3.310 -0.193) 7.722 5.070 ( -17.521 -1.794 -2.483) 17.787 5.307 ( -2.003 0.566 -3.673) 4.221 6.126 ( 4.584 10.625 -0.233) 11.574 6.472 ( 16.212 -8.726 0.047) 18.411 6.916 ( -8.826 -0.645 0.969) 8.902 7.693 ( 4.970 12.393 -0.913) 13.383 7.971 ( 7.672 -13.396 0.052) 15.438 8.157 ( 2.091 1.960 0.974) 3.026 11.523 ( -13.653 -4.350 -0.100) 14.329 11.612 ( -7.710 7.491 0.816) 10.781 12.047 ( -3.286 -0.649 -0.761) 3.435 12.281 ( 0.626 3.811 -0.465) 3.890 12.301 ( -0.517 -2.024 0.681) 2.197 12.951 ( 22.822 -4.665 -1.389) 23.335 14.147 ( -0.300 -2.786 -0.110) 2.805 14.230 ( 0.303 4.233 0.491) 4.272 17.579 ( 4.311 -0.293 -0.475) 4.347 18.460 ( -3.369 3.813 0.132) 5.090 18.996 ( -7.146 -5.690 -0.419) 9.145 19.220 ( 3.830 2.417 1.059) 4.651 27.185 ( -17.146 0.888 -0.377) 17.173 28.016 ( 4.443 -2.661 0.642) 5.218 28.308 ( 4.533 0.697 0.007) 4.586 28.596 ( -3.721 -0.277 0.398) 3.752 28.942 ( 4.202 1.180 -0.196) 4.368 31.785 ( 1.083 2.057 1.096) 2.570 35.364 ( 0.645 -3.589 0.567) 3.690 35.498 ( 2.658 2.504 -1.077) 3.808 ======================= Grid point 412 (232/294) ======================= q-point: (-0.33 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -2.971 2.460 18.343) 18.745 2.228 ( -5.276 -0.384 0.272) 5.297 2.329 ( 1.925 -2.091 -1.269) 3.112 2.886 ( 1.710 -3.127 -1.506) 3.869 3.124 ( -12.493 -7.553 -3.272) 14.961 4.220 ( -4.202 -5.755 3.244) 7.830 4.271 ( 4.415 2.067 5.031) 7.005 4.646 ( 3.101 -18.799 -2.483) 19.214 4.824 ( -11.049 2.642 -0.803) 11.389 5.346 ( -0.673 13.826 -3.817) 14.359 6.183 ( 0.797 -6.627 -1.090) 6.763 6.679 ( 9.699 0.981 -0.250) 9.751 6.807 ( -3.553 0.443 -1.280) 3.803 7.872 ( 0.986 12.508 -0.891) 12.579 7.942 ( 3.309 -9.438 2.407) 10.286 8.236 ( 4.032 0.229 0.770) 4.112 11.324 ( -7.259 2.110 0.012) 7.559 11.570 ( -5.296 5.519 1.013) 7.716 11.986 ( -2.077 -0.374 -0.722) 2.230 12.238 ( -0.226 -6.834 1.269) 6.954 12.341 ( -0.967 6.721 -1.463) 6.946 13.236 ( 15.896 -5.871 -2.024) 17.066 14.118 ( 0.306 -2.783 -0.013) 2.799 14.283 ( -0.425 5.614 0.581) 5.660 17.619 ( -0.508 1.651 -0.172) 1.736 18.522 ( 5.997 4.214 -0.174) 7.332 18.786 ( -10.035 -5.595 -0.418) 11.497 19.276 ( 1.683 -1.902 1.347) 2.875 26.943 ( -10.340 0.159 -0.139) 10.342 28.041 ( 3.408 -4.269 0.302) 5.471 28.355 ( 0.845 -2.845 -0.633) 3.034 28.558 ( -1.466 2.081 1.018) 2.742 29.007 ( 1.877 0.548 0.188) 1.964 31.828 ( 1.297 0.877 2.343) 2.817 35.339 ( 0.504 -3.399 -1.006) 3.580 35.579 ( 1.663 6.356 -0.255) 6.575 ======================= Grid point 413 (233/294) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -0.198 -1.207 19.325) 19.364 2.177 ( -0.061 -0.799 0.383) 0.888 2.322 ( 0.906 -3.387 -1.862) 3.970 2.835 ( 1.109 -9.768 -1.677) 9.973 2.916 ( -1.562 -7.268 -2.998) 8.016 4.082 ( -2.658 -10.984 3.885) 11.950 4.336 ( 1.904 -6.808 2.547) 7.514 4.530 ( 4.576 -13.361 -0.012) 14.123 4.726 ( -1.686 3.461 -2.269) 4.469 5.486 ( 0.287 14.185 -2.887) 14.479 6.043 ( -3.903 -13.305 -1.037) 13.905 6.723 ( -0.707 -2.834 -2.071) 3.581 6.855 ( 2.948 6.755 -0.734) 7.407 7.868 ( -3.366 -4.651 3.758) 6.862 8.026 ( 1.941 10.250 -0.135) 10.433 8.288 ( 1.718 -0.200 -0.336) 1.762 11.314 ( 0.980 6.581 0.176) 6.656 11.544 ( -3.420 3.873 0.906) 5.246 11.978 ( 1.037 0.931 -0.568) 1.505 12.171 ( -0.126 -5.910 0.630) 5.945 12.376 ( -1.312 4.929 -0.762) 5.157 13.348 ( 3.895 -5.757 -2.799) 7.493 14.104 ( 1.096 -2.185 0.340) 2.468 14.320 ( -2.264 5.635 0.511) 6.094 17.620 ( -0.636 2.500 -0.214) 2.588 18.547 ( -10.398 -4.342 -0.553) 11.282 18.723 ( 11.397 3.051 -0.509) 11.809 19.248 ( -1.206 -5.604 2.284) 6.171 26.849 ( -0.019 -0.466 -0.025) 0.467 28.067 ( 2.925 -1.697 0.029) 3.382 28.269 ( -3.301 -8.642 -0.302) 9.256 28.587 ( 0.701 3.126 1.292) 3.454 29.017 ( -0.446 -0.607 -0.041) 0.755 31.855 ( 0.278 -0.397 3.340) 3.375 35.307 ( 0.055 -2.706 -2.687) 3.814 35.676 ( -0.021 9.662 0.540) 9.678 ======================= Grid point 414 (234/294) ======================= q-point: (-0.17 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 2.996 -6.777 13.975) 15.818 2.197 ( 3.511 -2.696 -0.674) 4.478 2.273 ( -1.200 -4.060 -2.265) 4.802 2.796 ( 5.734 -10.704 -4.584) 12.979 2.861 ( 6.446 -8.080 1.344) 10.423 3.919 ( -0.097 -18.952 1.555) 19.016 4.278 ( 3.636 -10.759 2.503) 11.630 4.477 ( -2.145 -3.469 1.241) 4.263 4.849 ( 12.600 0.346 -1.920) 12.750 5.527 ( -3.699 -5.644 -3.441) 7.575 5.867 ( -5.708 2.525 1.067) 6.332 6.671 ( -0.061 -3.823 -1.140) 3.990 6.986 ( 3.622 9.415 -0.239) 10.090 7.716 ( -8.294 -7.996 4.641) 12.420 8.165 ( -0.337 13.466 -1.068) 13.512 8.290 ( -1.074 0.818 -1.538) 2.046 11.482 ( 9.213 7.659 0.362) 11.987 11.533 ( -2.045 3.091 0.522) 3.742 12.019 ( 2.898 -0.409 -0.491) 2.968 12.132 ( 0.152 -1.615 0.267) 1.644 12.388 ( -1.686 2.723 0.377) 3.225 13.225 ( -9.972 -5.834 -3.343) 12.027 14.119 ( 1.926 -0.634 0.687) 2.141 14.322 ( -3.307 4.775 0.357) 5.820 17.665 ( 2.139 3.819 -0.800) 4.450 18.359 ( -5.623 -3.031 -0.146) 6.389 18.944 ( 10.693 1.529 -1.162) 10.864 19.139 ( -4.089 -8.535 3.492) 10.088 26.931 ( 9.950 -1.089 -0.153) 10.011 28.010 ( -9.252 -6.871 0.101) 11.525 28.169 ( 5.335 -6.422 0.738) 8.382 28.639 ( 0.941 3.034 1.151) 3.378 28.995 ( -1.120 -0.020 -0.891) 1.432 31.851 ( -0.946 -1.189 3.623) 3.929 35.271 ( -0.161 -2.068 -3.645) 4.194 35.767 ( -2.463 11.675 0.963) 11.971 ======================= Grid point 480 (235/294) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( -0.000 -0.000 18.679) 18.679 0.642 ( -0.000 -0.000 18.679) 18.679 0.704 ( -0.000 -0.000 21.731) 21.731 2.053 ( 0.000 0.000 -6.162) 6.162 2.053 ( 0.000 0.000 -6.162) 6.162 3.541 ( 0.000 0.000 -7.266) 7.266 3.863 ( 0.000 0.000 -3.341) 3.341 3.863 ( 0.000 0.000 -3.341) 3.341 4.147 ( -0.000 -0.000 3.169) 3.169 4.147 ( -0.000 -0.000 3.169) 3.169 6.594 ( 0.000 0.000 -3.456) 3.456 6.594 ( 0.000 0.000 -3.456) 3.456 7.080 ( -0.000 -0.000 1.373) 1.373 7.970 ( -0.000 -0.000 2.229) 2.229 7.970 ( -0.000 -0.000 2.229) 2.229 8.015 ( 0.000 0.000 -0.156) 0.156 11.440 ( 0.000 0.000 -0.232) 0.232 12.016 ( -0.000 -0.000 0.897) 0.897 12.016 ( -0.000 -0.000 0.897) 0.897 12.376 ( 0.000 0.000 -0.794) 0.794 12.376 ( 0.000 0.000 -0.794) 0.794 12.979 ( 0.000 0.000 -0.044) 0.044 14.504 ( -0.000 -0.000 0.149) 0.149 15.033 ( 0.000 0.000 -0.190) 0.190 18.050 ( 0.000 0.000 -0.090) 0.090 18.050 ( 0.000 0.000 -0.090) 0.090 18.169 ( -0.000 -0.000 0.088) 0.088 18.169 ( -0.000 -0.000 0.088) 0.088 26.779 ( 0.000 0.000 -0.005) 0.005 26.779 ( 0.000 -0.000 -0.005) 0.005 28.041 ( -0.000 -0.000 0.059) 0.059 28.041 ( -0.000 0.000 0.059) 0.059 29.088 ( -0.000 -0.000 0.157) 0.157 29.446 ( 0.000 0.000 -0.152) 0.152 36.796 ( -0.000 -0.000 0.295) 0.295 36.861 ( 0.000 0.000 -0.630) 0.630 ======================= Grid point 481 (236/294) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 1.658 -4.284 14.473) 15.185 0.936 ( 19.137 10.083 13.232) 25.357 1.330 ( 34.526 22.622 9.705) 42.403 2.072 ( 0.984 4.639 -6.073) 7.705 2.201 ( 14.151 4.412 -7.398) 16.567 3.082 ( -22.193 -11.532 6.347) 25.803 3.850 ( 2.016 0.612 -2.410) 3.201 3.933 ( 4.876 2.829 -4.070) 6.953 4.211 ( 3.852 6.516 2.350) 7.926 4.437 ( 14.964 4.766 2.113) 15.846 6.591 ( -1.235 3.064 -3.256) 4.638 6.722 ( 12.614 3.695 -4.120) 13.775 6.939 ( -9.514 -5.310 0.380) 10.902 7.805 ( -4.394 -8.276 6.647) 11.488 8.002 ( 2.098 1.314 2.237) 3.337 8.447 ( 14.828 12.370 -18.655) 26.849 11.434 ( -0.249 -0.099 -0.172) 0.318 11.993 ( -3.575 -0.295 0.024) 3.588 12.154 ( 7.991 2.915 -2.902) 8.988 12.325 ( -4.421 0.986 -0.591) 4.567 12.412 ( 4.838 -0.582 -0.873) 4.950 12.946 ( -3.029 -1.973 0.425) 3.640 14.495 ( -0.734 -0.425 0.143) 0.860 14.725 ( -18.832 -11.623 5.321) 22.761 18.007 ( 0.392 -6.476 0.410) 6.500 18.123 ( -5.515 13.412 -1.541) 14.584 18.281 ( 6.566 9.707 0.903) 11.753 18.435 ( 24.190 0.510 -7.937) 25.463 26.775 ( 0.238 -0.420 -0.007) 0.482 26.958 ( 13.646 8.722 0.203) 16.197 28.049 ( 0.146 0.941 -0.010) 0.952 28.481 ( 20.236 10.832 -13.159) 26.457 29.203 ( 2.018 0.982 4.352) 4.897 29.607 ( 25.423 14.113 -21.329) 36.062 36.493 ( -24.466 -14.378 15.021) 32.108 36.711 ( -7.670 -4.362 -0.389) 8.832 ======================= Grid point 482 (237/294) ======================= q-point: ( 0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 10.859 1.267 -1.356) 11.017 1.452 ( 21.487 11.040 8.942) 25.760 2.124 ( 22.907 16.518 3.653) 28.477 2.144 ( 6.053 5.509 -3.504) 8.903 2.488 ( 11.618 4.101 -4.767) 13.210 2.805 ( 0.709 0.529 7.253) 7.307 3.923 ( 6.511 -0.238 -2.325) 6.918 4.062 ( 5.210 7.336 -4.809) 10.202 4.396 ( 7.471 7.467 2.922) 10.959 4.737 ( 13.564 5.246 3.537) 14.967 6.530 ( -9.649 -0.896 -1.554) 9.814 6.734 ( -6.844 -0.326 -1.327) 6.979 7.034 ( 18.926 4.256 -3.855) 19.778 7.615 ( -7.711 -11.639 3.666) 14.435 8.075 ( 2.614 3.074 2.230) 4.611 8.585 ( 0.428 2.760 -13.237) 13.528 11.441 ( 0.979 0.712 -0.046) 1.211 11.900 ( -5.585 -0.276 -1.492) 5.787 12.108 ( -5.173 -8.267 -1.713) 9.901 12.348 ( -1.747 4.868 1.029) 5.273 12.531 ( 8.620 0.347 -1.476) 8.753 12.845 ( -4.887 -1.949 1.457) 5.459 14.376 ( -11.381 -6.411 2.921) 13.385 14.475 ( -0.854 -0.727 0.116) 1.127 17.933 ( -0.638 -8.888 0.958) 8.963 18.156 ( -0.861 7.900 -2.897) 8.458 18.480 ( 2.514 12.383 -0.191) 12.637 18.823 ( 19.337 2.558 -4.313) 19.977 26.780 ( 0.835 -0.521 -0.002) 0.985 27.356 ( 17.659 12.542 1.398) 21.705 28.062 ( 0.558 0.463 -0.016) 0.725 28.704 ( 6.115 3.032 -5.818) 8.969 29.104 ( -7.900 -5.481 3.100) 10.102 30.340 ( 37.186 20.880 -29.829) 52.044 36.028 ( -19.146 -11.563 20.168) 30.117 36.465 ( -12.637 -7.061 -2.932) 14.769 ======================= Grid point 483 (238/294) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 18.456 6.942 -11.080) 22.618 1.883 ( 13.545 5.742 4.921) 15.513 2.312 ( 10.355 8.212 -1.897) 13.351 2.374 ( -2.111 0.422 2.327) 3.170 2.671 ( 10.501 5.571 1.871) 12.033 3.250 ( 26.751 13.564 2.522) 30.099 4.045 ( 8.588 -0.075 -2.928) 9.074 4.212 ( 5.302 7.273 -5.428) 10.510 4.605 ( 4.762 8.473 4.139) 10.564 5.062 ( 16.436 6.533 2.790) 17.905 6.241 ( -15.679 -6.786 -0.742) 17.101 6.681 ( -3.233 3.725 -0.387) 4.947 7.346 ( -7.027 -13.550 0.784) 15.284 7.404 ( 16.104 6.581 -4.600) 17.995 8.161 ( 1.755 4.643 1.901) 5.315 8.488 ( -6.913 -3.549 -4.347) 8.904 11.468 ( -0.102 1.147 -0.014) 1.151 11.819 ( -3.866 2.939 -1.670) 5.136 11.910 ( -4.172 -11.941 -1.438) 12.730 12.277 ( -7.720 -1.579 0.829) 7.923 12.594 ( 0.588 -4.691 0.512) 4.755 12.879 ( 5.151 8.501 1.967) 10.133 14.200 ( -5.460 -2.192 0.563) 5.910 14.451 ( -0.925 -1.413 -0.065) 1.690 17.820 ( -2.875 -7.242 0.536) 7.810 18.240 ( 5.264 2.469 -1.961) 6.136 18.612 ( -0.799 11.208 -0.341) 11.242 19.110 ( 12.023 2.096 -1.857) 12.344 26.794 ( 1.355 -0.402 0.007) 1.413 27.774 ( 13.001 14.190 0.972) 19.270 28.081 ( 2.968 -2.163 0.514) 3.708 28.802 ( 4.293 2.148 -1.963) 5.187 28.907 ( -7.734 -5.977 -0.059) 9.774 31.003 ( 26.550 15.219 -17.845) 35.425 35.722 ( -12.210 -7.617 15.991) 21.513 36.141 ( -13.782 -7.569 -4.979) 16.493 ======================= Grid point 484 (239/294) ======================= q-point: ( 0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 17.574 7.702 -15.886) 24.911 2.074 ( 5.045 2.001 0.799) 5.486 2.336 ( -1.284 -0.384 2.449) 2.792 2.624 ( 13.093 7.398 1.942) 15.163 2.889 ( 7.011 5.285 1.348) 8.883 3.797 ( 21.241 8.458 0.401) 22.867 4.196 ( 8.732 1.309 -3.131) 9.368 4.365 ( 6.159 7.948 -4.387) 10.971 4.719 ( -1.642 5.683 3.756) 7.007 5.437 ( 14.907 5.143 2.997) 16.052 5.914 ( -11.213 -5.088 -0.192) 12.315 6.669 ( -1.425 1.291 1.051) 2.191 7.087 ( -9.270 -6.247 0.023) 11.178 7.712 ( 13.799 2.500 -5.498) 15.062 8.231 ( 0.307 4.345 1.292) 4.543 8.273 ( -10.306 -6.221 0.594) 12.053 11.427 ( -5.560 0.596 -0.448) 5.610 11.689 ( -3.828 -11.691 -0.191) 12.303 11.876 ( 3.484 3.565 -1.144) 5.115 12.130 ( -5.369 -1.483 -0.317) 5.579 12.533 ( -2.611 -3.466 1.064) 4.468 13.099 ( 7.129 9.447 2.570) 12.111 14.124 ( -2.231 -0.240 -0.148) 2.249 14.405 ( -1.924 -3.073 -0.303) 3.638 17.706 ( -3.117 -4.677 0.295) 5.629 18.365 ( 8.656 -1.439 -0.577) 8.794 18.678 ( -3.765 10.069 0.006) 10.750 19.274 ( 6.258 0.516 -1.673) 6.499 26.817 ( 1.491 -0.202 0.016) 1.505 28.023 ( -0.994 11.504 -0.661) 11.566 28.178 ( 11.828 -2.503 1.606) 12.196 28.731 ( -5.858 -4.600 -1.028) 7.519 28.890 ( 4.107 1.590 -0.794) 4.475 31.454 ( 16.110 9.428 -7.954) 20.290 35.542 ( -6.665 -4.320 10.385) 13.074 35.827 ( -11.804 -6.396 -5.151) 14.380 ======================= Grid point 485 (240/294) ======================= q-point: ( 0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 11.039 5.301 -19.233) 22.801 2.150 ( 2.217 1.104 -0.348) 2.501 2.343 ( 0.887 0.458 1.770) 2.032 2.861 ( 7.363 1.572 2.061) 7.806 3.021 ( 1.847 4.166 1.965) 4.963 4.141 ( 12.567 1.922 -2.459) 12.949 4.322 ( 4.544 2.659 -5.853) 7.872 4.579 ( 6.422 7.497 1.856) 10.044 4.722 ( 0.244 3.578 1.785) 4.006 5.393 ( -13.173 -8.407 3.619) 16.041 6.009 ( 13.751 5.278 1.027) 14.765 6.661 ( -0.640 0.937 1.855) 2.175 6.925 ( -5.990 -0.467 0.684) 6.047 7.840 ( 2.381 -5.439 -3.080) 6.688 8.084 ( -5.348 0.673 -0.514) 5.414 8.269 ( 0.598 1.614 0.290) 1.746 11.305 ( -6.011 -2.127 -0.172) 6.379 11.554 ( -0.864 -6.032 -0.962) 6.169 11.949 ( 0.183 1.890 0.622) 1.998 12.118 ( 3.950 2.478 -0.396) 4.679 12.440 ( -4.632 -3.108 0.575) 5.608 13.299 ( 4.855 6.549 2.731) 8.597 14.119 ( 0.942 1.777 -0.216) 2.023 14.317 ( -3.386 -4.776 -0.532) 5.879 17.627 ( -2.103 -2.039 0.181) 2.935 18.498 ( 9.175 -3.657 0.508) 9.890 18.687 ( -5.615 8.241 0.185) 9.974 19.338 ( 2.085 -0.588 -1.894) 2.877 26.839 ( 1.111 -0.104 0.024) 1.116 28.067 ( -0.936 3.866 0.016) 3.978 28.347 ( 6.037 1.253 0.504) 6.186 28.607 ( -3.559 -3.023 -1.594) 4.935 28.967 ( 3.066 1.100 0.076) 3.258 31.714 ( 8.153 4.779 -3.070) 9.937 35.464 ( -2.298 -1.559 4.773) 5.522 35.586 ( -7.615 -4.147 -2.847) 9.126 ======================= Grid point 486 (241/294) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 4.766 2.760 -20.098) 20.839 2.179 ( 0.573 0.435 -0.593) 0.933 2.361 ( 0.010 -0.707 0.592) 0.922 2.924 ( 0.660 -2.853 1.061) 3.114 3.035 ( -4.723 1.001 3.504) 5.965 4.240 ( -1.681 -1.104 -3.137) 3.726 4.367 ( 2.711 -1.250 -6.184) 6.867 4.641 ( 0.744 4.282 2.171) 4.858 4.825 ( -5.665 -4.675 1.544) 7.505 5.205 ( 4.956 2.001 4.753) 7.153 6.184 ( 0.134 0.894 1.386) 1.654 6.722 ( 3.347 4.119 1.978) 5.664 6.822 ( -4.211 -3.764 1.312) 5.798 7.798 ( 1.652 0.501 0.278) 1.748 8.040 ( -2.107 -0.619 -3.524) 4.152 8.288 ( 0.691 -0.303 -0.376) 0.843 11.235 ( 0.206 0.176 -0.026) 0.272 11.515 ( 0.216 -0.607 -1.257) 1.413 11.960 ( 0.349 0.331 0.844) 0.972 12.239 ( 3.707 3.350 1.295) 5.161 12.323 ( -4.078 -2.811 -0.856) 5.026 13.394 ( 0.649 0.311 2.737) 2.830 14.167 ( -0.474 -0.554 0.068) 0.732 14.225 ( 0.520 0.187 -0.924) 1.077 17.596 ( -0.264 0.060 0.135) 0.302 18.591 ( 0.377 2.079 1.279) 2.469 18.669 ( 1.064 -0.741 -0.049) 1.297 19.328 ( -1.457 -1.167 -2.067) 2.785 26.851 ( 0.375 -0.148 0.027) 0.404 28.080 ( -0.336 0.711 0.270) 0.832 28.389 ( -2.328 -0.790 0.113) 2.461 28.551 ( 0.725 -0.825 -1.685) 2.012 29.013 ( 0.966 0.701 0.334) 1.240 31.832 ( 3.095 1.661 -1.782) 3.939 35.387 ( -4.643 -2.561 -0.540) 5.330 35.537 ( 3.178 1.728 1.479) 3.908 ======================= Grid point 493 (242/294) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -2.796 -3.352 14.942) 15.566 1.041 ( -2.634 22.997 11.933) 26.042 1.355 ( 2.862 41.722 8.891) 42.755 2.013 ( 2.583 1.163 -6.124) 6.747 2.196 ( -2.230 13.827 -6.736) 15.541 3.074 ( 0.881 -25.210 4.531) 25.629 3.853 ( 2.102 1.471 -2.306) 3.450 3.955 ( -3.093 7.439 -4.807) 9.381 4.263 ( 6.838 9.210 2.692) 11.783 4.388 ( -5.891 13.955 2.155) 15.300 6.564 ( 1.313 -0.937 -2.699) 3.145 6.669 ( -1.019 8.291 -2.558) 8.736 6.940 ( -0.027 -11.057 0.577) 11.072 7.804 ( -3.046 -9.059 5.945) 11.256 8.014 ( -1.483 3.076 2.136) 4.028 8.450 ( 3.147 22.480 -16.864) 28.278 11.435 ( 0.031 -0.022 -0.249) 0.252 11.970 ( 0.156 -3.954 0.061) 3.958 12.194 ( 1.799 10.358 -2.952) 10.920 12.320 ( 0.190 -1.875 -0.409) 1.928 12.399 ( -1.842 1.756 -0.462) 2.586 12.954 ( -0.279 -2.315 -0.113) 2.335 14.494 ( -0.019 -1.209 0.208) 1.227 14.767 ( -0.680 -19.351 3.310) 19.644 18.020 ( 10.437 -1.729 -0.235) 10.582 18.056 ( -6.044 -0.139 0.575) 6.073 18.286 ( 7.503 10.340 0.605) 12.789 18.411 ( -9.975 16.881 -5.773) 20.440 26.785 ( -0.130 0.409 -0.147) 0.453 26.911 ( 0.202 12.316 1.347) 12.391 28.045 ( 0.939 0.537 0.085) 1.085 28.456 ( -0.787 22.914 -11.030) 25.443 29.209 ( -0.149 2.530 4.021) 4.753 29.580 ( -0.423 27.749 -17.857) 33.000 36.542 ( -0.205 -24.865 11.754) 27.505 36.708 ( 0.063 -9.408 -0.563) 9.425 ======================= Grid point 494 (243/294) ======================= q-point: ( 0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 1.976 1.950 4.820) 5.562 1.404 ( 9.907 25.013 9.714) 28.604 1.980 ( 17.007 29.989 3.287) 34.632 2.112 ( 6.476 7.029 -4.668) 10.637 2.353 ( 6.863 12.401 -5.126) 15.073 2.829 ( -4.371 -13.032 6.165) 15.064 3.890 ( -0.783 4.018 -2.829) 4.976 4.002 ( 4.835 5.190 -2.780) 7.618 4.450 ( 2.992 13.118 0.711) 13.474 4.604 ( 9.884 11.180 4.143) 15.487 6.611 ( 5.235 -1.162 -3.968) 6.671 6.726 ( -6.295 -8.151 -1.359) 10.388 6.854 ( 6.137 7.831 -0.054) 9.949 7.658 ( -5.775 -9.482 4.783) 12.088 8.039 ( 2.142 1.288 2.340) 3.424 8.610 ( 0.296 9.809 -14.259) 17.310 11.439 ( 0.338 0.907 -0.173) 0.983 11.902 ( -1.075 -6.503 -1.187) 6.697 12.218 ( -8.658 -1.026 -1.468) 8.842 12.365 ( 8.618 2.747 -2.795) 9.467 12.429 ( -0.224 5.586 1.671) 5.835 12.881 ( -3.677 -4.920 0.743) 6.187 14.452 ( -3.821 -9.730 2.480) 10.744 14.503 ( -6.251 -5.166 0.581) 8.130 17.939 ( -5.635 -0.445 -0.026) 5.652 18.250 ( 4.913 0.008 0.089) 4.914 18.430 ( 8.988 5.810 -9.724) 14.461 18.593 ( 8.718 16.546 3.731) 19.071 26.814 ( 0.071 3.449 -0.167) 3.453 27.156 ( 12.812 10.916 1.737) 16.921 28.084 ( 0.952 2.883 -0.192) 3.042 28.634 ( 4.637 7.910 -6.223) 11.082 29.158 ( -4.261 -7.791 3.757) 9.642 30.049 ( 19.165 39.872 -25.411) 51.017 36.218 ( -12.442 -19.990 16.803) 28.927 36.530 ( -6.724 -12.261 -2.776) 14.257 ======================= Grid point 495 (244/294) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 10.814 9.776 -5.979) 15.756 1.833 ( 8.171 18.414 6.884) 21.289 2.254 ( 7.941 8.987 -2.592) 12.270 2.416 ( 0.739 6.482 -1.523) 6.700 2.574 ( 8.619 7.757 1.506) 11.693 2.960 ( 20.622 13.136 4.005) 24.776 3.940 ( 3.474 3.348 -3.256) 5.821 4.152 ( 6.755 4.931 -2.326) 8.681 4.677 ( 5.111 15.443 2.975) 16.536 4.896 ( 10.837 9.147 1.875) 14.304 6.425 ( -13.832 -8.425 -1.596) 16.275 6.684 ( 4.774 -4.713 -3.095) 7.388 7.100 ( 10.389 6.851 -0.915) 12.478 7.458 ( -7.683 -6.124 0.837) 9.861 8.132 ( 5.464 0.983 3.872) 6.769 8.576 ( -5.716 1.059 -7.067) 9.151 11.469 ( 1.412 1.688 0.117) 2.204 11.817 ( -0.578 -5.937 -1.881) 6.255 12.028 ( -11.745 0.911 -1.377) 11.861 12.391 ( -5.228 -1.864 0.870) 5.618 12.515 ( 3.033 -0.370 -0.594) 3.113 12.823 ( 4.509 -2.255 2.531) 5.642 14.261 ( -4.857 -5.987 1.086) 7.786 14.445 ( -1.355 -2.016 -0.246) 2.442 17.843 ( -4.949 -0.941 0.260) 5.044 18.245 ( -2.315 2.903 -1.278) 3.927 18.648 ( 9.417 4.441 -5.046) 11.570 18.917 ( 11.060 8.853 1.536) 14.250 26.844 ( -2.165 6.479 0.089) 6.832 27.529 ( 19.539 3.726 0.938) 19.913 28.124 ( -1.448 6.168 -0.633) 6.367 28.749 ( 3.880 3.866 -2.478) 6.011 28.980 ( -7.027 -7.557 1.698) 10.458 30.713 ( 23.021 28.271 -17.763) 40.555 35.887 ( -11.914 -13.061 15.950) 23.810 36.238 ( -10.286 -12.296 -5.269) 16.875 ======================= Grid point 496 (245/294) ======================= q-point: ( 0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 15.299 11.584 -10.944) 22.091 2.064 ( 2.759 8.585 1.854) 9.206 2.352 ( -1.178 -2.141 2.782) 3.703 2.582 ( 7.496 16.992 0.147) 18.572 2.819 ( 8.579 8.427 0.649) 12.043 3.509 ( 22.598 11.214 1.415) 25.267 4.051 ( 7.395 2.098 -3.826) 8.587 4.319 ( 6.670 6.761 -1.969) 9.699 4.887 ( -2.214 15.051 3.680) 15.652 5.211 ( 16.635 6.450 0.888) 17.864 6.079 ( -14.654 -8.646 -1.264) 17.062 6.674 ( 0.692 -4.468 -0.151) 4.524 7.182 ( -6.461 -1.416 0.661) 6.647 7.436 ( 12.432 -1.012 -5.445) 13.610 8.238 ( 2.901 0.416 4.077) 5.021 8.415 ( -9.218 -2.200 -1.631) 9.616 11.503 ( 0.208 1.037 0.239) 1.085 11.710 ( -7.814 -4.577 -1.626) 9.201 11.896 ( -3.074 5.176 -0.538) 6.044 12.223 ( -7.996 -3.708 0.042) 8.815 12.520 ( 0.476 -3.170 0.021) 3.206 12.982 ( 11.589 -0.755 3.302) 12.074 14.164 ( -2.687 -1.396 -0.267) 3.040 14.392 ( -1.464 -3.917 -0.255) 4.189 17.748 ( -4.888 -0.925 0.581) 5.008 18.261 ( 2.271 0.878 -0.665) 2.524 18.801 ( 2.485 7.693 -1.610) 8.243 19.139 ( 8.034 2.242 -1.049) 8.407 26.874 ( -2.845 7.998 0.155) 8.490 27.872 ( 18.513 -3.672 0.225) 18.875 28.160 ( -2.343 8.988 -0.893) 9.332 28.780 ( -4.848 -3.000 -3.596) 6.741 28.858 ( 1.570 0.799 3.291) 3.733 31.253 ( 17.625 16.338 -8.378) 25.451 35.650 ( -8.354 -8.149 11.805) 16.600 35.922 ( -10.317 -10.069 -6.120) 15.661 ======================= Grid point 497 (246/294) ======================= q-point: ( 0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 12.185 9.737 -14.654) 21.402 2.165 ( 0.550 6.270 0.256) 6.299 2.332 ( 0.373 -1.447 2.113) 2.588 2.823 ( 4.377 7.433 2.765) 9.059 3.039 ( 4.145 12.174 -0.171) 12.862 3.921 ( 14.893 5.007 -0.347) 15.716 4.211 ( 9.377 2.579 -4.744) 10.820 4.514 ( 8.314 7.264 -0.149) 11.041 4.909 ( -9.787 10.322 1.878) 14.348 5.493 ( 1.045 -1.402 2.942) 3.422 5.840 ( 3.488 -2.223 -0.720) 4.198 6.656 ( 1.308 -1.698 1.774) 2.782 7.038 ( -7.829 -0.595 0.018) 7.852 7.620 ( 12.441 -6.824 -4.641) 14.930 8.179 ( -6.487 -2.607 0.565) 7.014 8.308 ( -2.706 -0.276 1.602) 3.157 11.480 ( -12.003 4.830 -0.389) 12.944 11.513 ( -0.709 -4.055 -0.509) 4.148 11.971 ( 2.122 5.154 0.451) 5.592 12.106 ( -1.580 -0.300 -0.229) 1.624 12.471 ( -2.330 -3.229 -0.231) 3.989 13.176 ( 11.348 -4.241 3.201) 12.530 14.132 ( -0.623 1.384 -0.591) 1.629 14.310 ( -2.398 -5.334 -0.349) 5.859 17.666 ( -3.627 -0.782 0.755) 3.786 18.330 ( 5.583 -0.879 -0.025) 5.652 18.877 ( -3.488 9.320 0.213) 9.954 19.248 ( 5.349 -1.703 -2.326) 6.076 26.905 ( -3.329 8.771 0.147) 9.383 28.056 ( 7.058 -4.333 0.075) 8.282 28.249 ( 4.227 5.898 -0.828) 7.304 28.652 ( -4.817 -1.905 -1.829) 5.493 28.922 ( 2.832 0.728 1.450) 3.264 31.598 ( 10.640 7.625 -3.098) 13.452 35.509 ( -4.110 -4.396 6.724) 9.023 35.657 ( -7.949 -6.908 -4.484) 11.446 ======================= Grid point 498 (247/294) ======================= q-point: ( 0.75 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 5.820 6.762 -17.565) 19.701 2.217 ( -1.391 5.564 -0.118) 5.737 2.341 ( 1.156 -1.540 1.324) 2.337 2.908 ( 1.086 -0.244 1.690) 2.024 3.169 ( -3.970 11.332 1.916) 12.159 4.145 ( 9.052 0.201 -1.072) 9.117 4.329 ( 1.064 2.120 -7.107) 7.492 4.735 ( 6.942 4.833 1.530) 8.596 4.837 ( -6.775 6.495 1.696) 9.537 5.282 ( -11.111 -3.584 3.777) 12.270 6.079 ( 13.369 2.047 1.022) 13.563 6.695 ( 2.851 -1.058 1.671) 3.470 6.882 ( -7.472 -4.278 0.347) 8.617 7.701 ( 7.270 -4.038 -0.628) 8.340 8.092 ( -4.328 0.358 -2.847) 5.193 8.247 ( -0.015 -5.194 0.909) 5.273 11.334 ( -7.999 5.943 -0.056) 9.966 11.512 ( 0.362 1.835 -0.947) 2.097 11.994 ( -2.021 2.190 0.733) 3.069 12.190 ( 5.865 4.304 0.966) 7.338 12.374 ( -4.729 -3.412 -0.872) 5.896 13.280 ( 7.325 -10.378 2.612) 12.968 14.168 ( 1.215 2.348 -0.205) 2.652 14.214 ( -1.559 -3.560 -0.616) 3.935 17.617 ( -1.456 -0.276 0.517) 1.570 18.427 ( 6.877 -2.012 0.245) 7.170 18.868 ( -7.795 8.403 0.714) 11.484 19.288 ( 2.882 -2.830 -2.160) 4.580 26.931 ( -4.118 9.061 0.140) 9.954 28.084 ( 0.480 -1.618 0.041) 1.688 28.357 ( 4.085 -0.738 -0.307) 4.163 28.566 ( -3.139 0.237 -1.490) 3.483 28.977 ( 2.913 -0.680 0.746) 3.083 31.772 ( 5.151 2.206 -1.450) 5.788 35.431 ( -3.776 -3.231 -0.507) 4.996 35.515 ( -0.442 -1.958 1.333) 2.410 ======================= Grid point 505 (248/294) ======================= q-point: ( 0.33 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -4.186 2.997 2.246) 5.617 1.447 ( -9.992 26.546 9.928) 30.052 1.935 ( -15.228 29.490 3.087) 33.333 2.039 ( -6.348 4.901 -3.967) 8.947 2.411 ( -8.012 12.984 -5.797) 16.321 2.818 ( 3.995 -11.926 7.147) 14.466 3.877 ( -4.648 1.115 -1.412) 4.984 4.014 ( 0.874 7.840 -3.924) 8.811 4.383 ( -2.980 13.292 2.434) 13.838 4.664 ( -9.505 10.823 2.230) 14.576 6.538 ( 1.966 -0.448 -0.908) 2.211 6.706 ( 3.305 -12.358 -0.336) 12.797 6.920 ( -9.463 8.739 -2.933) 13.210 7.745 ( 1.057 -10.304 2.733) 10.712 8.073 ( 1.312 5.852 1.977) 6.315 8.546 ( -0.270 9.095 -14.124) 16.801 11.439 ( -0.269 1.006 -0.148) 1.052 11.904 ( 3.507 -4.417 -0.980) 5.725 12.187 ( -2.364 -8.228 -0.528) 8.577 12.315 ( 4.510 7.942 -0.253) 9.137 12.492 ( -5.084 2.977 -1.117) 5.996 12.899 ( 4.271 -2.208 -0.366) 4.822 14.470 ( 1.845 -6.381 1.694) 6.855 14.494 ( 8.763 -8.608 1.071) 12.330 17.949 ( -4.977 -5.792 -0.470) 7.651 18.202 ( 3.261 12.303 1.897) 12.868 18.266 ( -3.111 0.523 -0.744) 3.241 18.746 ( -11.992 13.417 -4.526) 18.556 26.823 ( -1.369 3.037 -0.468) 3.364 27.144 ( -10.503 11.988 2.082) 16.073 28.058 ( -1.563 0.990 0.486) 1.913 28.647 ( -4.539 7.955 -6.231) 11.077 29.171 ( 3.687 -6.775 3.396) 8.428 30.061 ( -19.230 40.297 -26.158) 51.748 36.227 ( 12.193 -19.548 16.713) 28.463 36.526 ( 6.875 -12.520 -2.895) 14.574 ======================= Grid point 506 (249/294) ======================= q-point: ( 0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -2.182 5.129 1.026) 5.668 1.617 ( -1.402 27.137 6.544) 27.950 2.013 ( 1.219 3.144 -4.524) 5.643 2.232 ( 2.906 34.845 2.371) 35.046 2.445 ( -1.754 13.539 -5.046) 14.555 2.760 ( -0.274 -6.367 8.576) 10.684 3.886 ( 2.734 2.674 -0.293) 3.835 4.064 ( -2.524 6.407 -4.496) 8.225 4.508 ( 0.074 13.116 -0.707) 13.135 4.706 ( -0.196 15.778 3.991) 16.276 6.501 ( -0.552 -6.570 -1.121) 6.687 6.712 ( 2.906 -7.324 0.570) 7.900 6.906 ( -0.319 14.292 -0.333) 14.300 7.608 ( -1.405 -13.132 3.079) 13.561 8.109 ( -4.310 4.690 1.445) 6.531 8.620 ( 2.742 5.349 -13.056) 14.373 11.447 ( -0.122 1.360 -0.275) 1.393 11.873 ( -2.366 -4.730 -0.763) 5.344 12.111 ( 5.676 -9.172 -1.382) 10.874 12.405 ( -3.459 -1.754 -0.534) 3.915 12.482 ( 2.726 8.324 0.746) 8.791 12.908 ( -2.571 0.064 -2.047) 3.287 14.391 ( -1.062 -12.326 1.743) 12.494 14.506 ( 0.553 -3.592 -0.483) 3.666 17.938 ( 8.056 -5.725 0.844) 9.919 18.116 ( -4.551 5.557 -1.660) 7.372 18.511 ( 1.716 10.007 -1.715) 10.297 18.697 ( -3.017 14.380 1.290) 14.749 26.793 ( 0.468 0.595 -0.426) 0.868 27.266 ( -1.409 20.030 4.008) 20.476 28.062 ( 2.324 1.078 0.099) 2.564 28.663 ( -0.489 6.343 -3.910) 7.468 29.124 ( -0.714 -8.894 2.026) 9.150 30.258 ( -0.541 44.193 -23.178) 49.905 36.166 ( -0.433 -20.776 15.419) 25.877 36.432 ( 0.239 -15.820 -4.237) 16.379 ======================= Grid point 507 (250/294) ======================= q-point: ( 0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 3.788 11.866 -2.538) 12.712 1.963 ( 3.444 20.529 7.986) 22.295 2.141 ( 12.728 9.402 -6.118) 16.966 2.457 ( -0.003 1.206 -3.156) 3.378 2.568 ( 2.834 11.121 0.975) 11.518 2.927 ( 6.137 25.391 6.981) 27.039 3.956 ( 0.161 3.837 -0.233) 3.847 4.100 ( 3.086 5.903 -2.164) 7.004 4.670 ( 7.045 9.449 -2.182) 11.986 4.940 ( 3.573 18.258 3.201) 18.877 6.418 ( 1.236 -14.940 -1.843) 15.104 6.605 ( -4.856 -0.806 -2.030) 5.325 7.136 ( 2.983 16.073 1.703) 16.436 7.467 ( -1.691 -12.044 3.391) 12.626 8.094 ( -0.241 2.764 1.628) 3.217 8.616 ( -1.415 -1.798 -8.239) 8.551 11.461 ( 0.658 0.570 -0.014) 0.871 11.781 ( -1.698 -3.062 -1.672) 3.881 12.113 ( 2.083 -6.716 -0.670) 7.064 12.336 ( 0.781 -4.985 -0.828) 5.114 12.600 ( 0.602 6.874 1.424) 7.045 12.787 ( -8.105 -2.392 -0.719) 8.481 14.246 ( -2.241 -8.578 1.029) 8.926 14.465 ( -2.155 -1.334 -0.587) 2.601 17.926 ( -2.839 -3.056 0.752) 4.238 18.261 ( 8.525 4.043 -1.125) 9.502 18.493 ( -1.081 4.814 -6.524) 8.179 18.928 ( 5.468 13.240 5.095) 15.204 26.876 ( 6.067 2.529 -0.361) 6.583 27.425 ( -0.600 13.577 2.847) 13.885 28.161 ( 4.119 4.732 -0.262) 6.279 28.728 ( 2.739 4.228 -0.669) 5.082 28.995 ( -3.849 -8.718 0.427) 9.539 30.695 ( 9.999 35.645 -16.151) 40.391 35.954 ( -6.754 -16.269 14.396) 22.749 36.209 ( -4.818 -15.822 -6.212) 17.667 ======================= Grid point 508 (251/294) ======================= q-point: ( 0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 9.057 14.774 -3.863) 17.755 2.125 ( 1.735 7.725 1.366) 8.034 2.357 ( -1.056 -2.141 2.598) 3.528 2.637 ( 10.554 21.101 -2.001) 23.678 2.754 ( 9.439 8.661 0.768) 12.833 3.347 ( 11.366 21.490 2.510) 24.440 3.993 ( 0.974 3.426 -1.369) 3.815 4.256 ( 7.268 5.872 0.060) 9.344 4.938 ( 13.756 8.435 -0.483) 16.143 5.161 ( -0.259 16.447 0.830) 16.470 6.186 ( -8.763 -13.931 -1.701) 16.546 6.577 ( 2.284 -1.730 -2.431) 3.757 7.265 ( 2.138 1.528 -0.334) 2.649 7.333 ( -6.536 -1.207 1.160) 6.747 8.182 ( 5.125 1.550 3.842) 6.590 8.495 ( -5.122 -6.131 -3.414) 8.688 11.475 ( 1.450 -1.890 0.437) 2.422 11.762 ( -0.206 3.145 -1.984) 3.724 12.046 ( -4.936 0.904 -0.685) 5.065 12.288 ( -1.137 -8.189 -0.253) 8.271 12.537 ( -9.709 3.249 -0.619) 10.257 12.763 ( 8.801 -5.625 2.902) 10.840 14.166 ( -0.542 -3.504 0.010) 3.545 14.401 ( -3.059 -2.042 -0.466) 3.708 17.833 ( -4.915 -2.359 0.989) 5.541 18.305 ( -3.760 4.982 -0.530) 6.265 18.664 ( 14.045 2.060 -5.439) 15.202 19.120 ( 2.331 8.172 3.105) 9.047 27.005 ( 1.721 8.345 0.151) 8.522 27.578 ( 9.053 2.475 0.424) 9.395 28.254 ( 0.317 6.057 -0.995) 6.146 28.819 ( 0.178 3.646 -2.138) 4.231 28.846 ( -1.928 -6.300 3.206) 7.327 31.155 ( 12.352 22.715 -7.780) 27.002 35.730 ( -7.365 -11.379 11.562) 17.816 35.935 ( -6.867 -12.936 -7.013) 16.238 ======================= Grid point 509 (252/294) ======================= q-point: ( 0.67 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 10.166 14.257 -5.142) 18.249 2.225 ( 1.201 6.385 0.249) 6.501 2.322 ( -0.522 -1.500 1.621) 2.269 2.826 ( 2.568 3.833 2.277) 5.145 3.143 ( 7.884 24.411 -1.219) 25.682 3.747 ( 13.514 12.276 0.701) 18.271 4.064 ( 5.943 1.358 -2.339) 6.529 4.444 ( 7.206 5.140 0.293) 8.856 5.217 ( -8.541 15.968 0.874) 18.130 5.312 ( 17.267 3.442 0.247) 17.608 5.872 ( -10.758 -11.329 -1.242) 15.672 6.608 ( 2.645 -0.196 0.242) 2.663 7.168 ( -6.510 -5.170 -2.143) 8.585 7.352 ( 6.493 -0.932 -0.317) 6.567 8.237 ( -2.071 -2.150 2.002) 3.594 8.336 ( -3.354 -6.178 0.052) 7.030 11.481 ( 1.226 -1.132 0.110) 1.672 11.764 ( -8.584 8.741 -1.479) 12.340 12.008 ( -1.405 5.620 0.461) 5.811 12.146 ( -4.741 -3.676 -0.112) 6.000 12.459 ( -1.121 -2.661 -0.729) 2.978 12.885 ( 12.447 -10.385 2.876) 16.464 14.143 ( 0.173 -0.440 -0.556) 0.730 14.316 ( -3.557 -2.967 -0.291) 4.641 17.721 ( -4.446 -3.934 1.328) 6.084 18.315 ( -0.921 5.765 -0.503) 5.859 18.892 ( 10.035 3.197 -2.627) 10.855 19.193 ( -0.665 2.884 0.613) 3.022 27.096 ( -3.644 13.236 0.457) 13.736 27.784 ( 14.454 -3.605 -0.721) 14.914 28.294 ( -1.043 4.186 -0.993) 4.427 28.713 ( -4.527 -1.799 -1.500) 5.098 28.896 ( 1.736 0.415 2.463) 3.041 31.503 ( 9.504 11.457 -2.543) 15.102 35.556 ( -5.140 -7.263 7.199) 11.446 35.687 ( -6.362 -8.844 -5.385) 12.153 ======================= Grid point 510 (253/294) ======================= q-point: ( 0.75 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 5.074 12.162 -8.513) 15.688 2.289 ( 1.536 0.839 1.063) 2.047 2.329 ( -1.222 4.699 0.629) 4.895 2.874 ( 1.587 -2.109 1.101) 2.860 3.425 ( -3.414 23.457 0.979) 23.725 4.007 ( 7.455 2.816 0.845) 8.014 4.242 ( 10.605 4.219 -6.187) 12.982 4.598 ( 7.689 0.162 0.911) 7.744 5.148 ( -13.329 13.002 0.907) 18.642 5.456 ( -9.702 -3.866 2.824) 10.819 5.804 ( 17.566 -0.403 -0.487) 17.577 6.632 ( 0.577 -5.537 1.205) 5.696 6.990 ( -7.823 -1.221 -2.055) 8.180 7.485 ( 11.202 -3.208 0.320) 11.657 8.152 ( -2.444 -0.687 -1.064) 2.753 8.209 ( -4.543 -10.119 1.026) 11.140 11.509 ( 0.734 4.399 -0.581) 4.498 11.641 ( -13.980 10.504 -0.211) 17.487 12.054 ( -1.464 2.130 0.558) 2.644 12.138 ( 4.811 3.602 0.920) 6.080 12.397 ( -2.298 -3.585 -1.401) 4.483 12.975 ( 11.605 -16.637 2.237) 20.408 14.162 ( 1.826 1.393 -0.633) 2.382 14.222 ( -3.614 -2.590 -0.056) 4.446 17.622 ( -1.806 -4.883 1.128) 5.327 18.378 ( 1.155 5.983 -0.288) 6.100 19.037 ( 0.238 6.123 0.161) 6.129 19.185 ( 1.646 -2.904 -1.552) 3.681 27.153 ( -6.242 15.084 0.438) 16.330 27.968 ( 10.182 -3.820 -0.751) 10.901 28.303 ( 0.308 -0.193 -0.554) 0.663 28.632 ( -3.786 0.893 -1.124) 4.049 28.921 ( 1.884 -2.029 1.465) 3.133 31.703 ( 5.518 3.956 -0.725) 6.828 35.450 ( -2.718 -4.016 0.965) 4.944 35.517 ( -3.246 -4.838 -0.440) 5.843 ======================= Grid point 517 (254/294) ======================= q-point: ( 0.33 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -9.829 11.746 -8.420) 17.478 1.904 ( -6.455 21.460 9.323) 24.271 2.156 ( -11.296 7.085 -4.692) 14.136 2.374 ( -2.563 4.410 1.315) 5.267 2.599 ( -6.275 7.174 0.082) 9.531 2.996 ( -20.755 15.131 2.763) 25.834 4.013 ( -9.538 0.609 -1.888) 9.742 4.090 ( -1.336 8.766 -3.930) 9.699 4.576 ( -2.616 12.398 2.941) 13.008 4.958 ( -11.788 10.438 2.540) 15.949 6.371 ( 12.479 -8.555 0.991) 15.162 6.579 ( -2.567 -6.498 -0.817) 7.035 7.220 ( -13.586 6.362 -2.847) 15.269 7.570 ( 8.211 -6.767 -1.450) 10.738 8.116 ( 0.131 5.047 0.740) 5.103 8.537 ( 3.010 -0.166 -5.183) 5.996 11.463 ( -0.375 1.592 -0.106) 1.639 11.786 ( 2.628 -3.949 -1.831) 5.085 12.102 ( 5.347 -1.989 -0.236) 5.710 12.304 ( 3.661 -0.675 0.993) 3.853 12.621 ( -9.186 -0.195 -0.014) 9.188 12.768 ( 6.934 -2.461 0.607) 7.382 14.250 ( 6.128 -6.116 0.839) 8.698 14.452 ( 0.233 -2.110 0.106) 2.126 17.951 ( 1.710 -3.526 -0.498) 3.950 18.236 ( 1.532 12.236 -0.089) 12.332 18.394 ( -8.671 -2.973 0.408) 9.176 19.041 ( -9.788 8.769 -2.378) 13.355 26.871 ( 1.765 7.166 -0.065) 7.380 27.467 ( -15.799 3.186 0.577) 16.127 28.124 ( -2.464 4.386 1.563) 5.269 28.756 ( -3.787 3.230 -2.021) 5.372 29.011 ( 7.209 -5.219 -0.303) 8.906 30.720 ( -22.471 28.405 -18.323) 40.590 35.902 ( 12.103 -12.437 15.921) 23.551 36.228 ( 10.245 -12.778 -5.496) 17.276 ======================= Grid point 518 (255/294) ======================= q-point: ( 0.42 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -6.815 10.652 -6.828) 14.372 2.032 ( -12.973 20.152 -2.128) 24.061 2.053 ( -2.282 9.133 5.661) 10.984 2.416 ( 1.247 3.819 -1.347) 4.237 2.600 ( -3.719 10.903 -0.289) 11.524 2.943 ( -7.245 23.501 5.515) 25.203 3.914 ( -2.817 3.627 -0.587) 4.630 4.145 ( -1.408 7.252 -2.878) 7.928 4.713 ( -3.632 16.704 0.776) 17.111 4.895 ( -5.275 11.201 1.944) 12.533 6.402 ( 1.266 -15.970 -0.500) 16.028 6.581 ( 7.547 2.895 2.728) 8.531 7.096 ( -7.134 9.537 -1.077) 11.958 7.501 ( -0.646 -12.756 -0.914) 12.805 8.216 ( 0.004 6.567 0.307) 6.574 8.554 ( 2.488 -1.614 -7.047) 7.646 11.475 ( -0.885 2.414 -0.208) 2.579 11.811 ( 4.865 -4.041 -1.410) 6.480 12.007 ( -5.583 -8.586 -0.309) 10.246 12.386 ( 1.418 -4.487 1.138) 4.841 12.490 ( 0.418 -0.483 1.292) 1.441 12.919 ( 5.238 6.084 -3.448) 8.737 14.265 ( 2.762 -8.521 0.922) 9.005 14.446 ( 2.153 -2.117 -0.298) 3.034 17.850 ( -2.988 -4.392 -0.152) 5.314 18.234 ( -4.317 0.255 -0.981) 4.435 18.535 ( 7.535 14.773 2.144) 16.722 18.943 ( -9.602 8.444 -0.379) 12.793 26.862 ( -6.725 1.519 -0.905) 6.953 27.476 ( 2.679 17.851 3.732) 18.433 28.087 ( -4.432 1.309 1.227) 4.782 28.726 ( -2.265 2.440 -0.963) 3.466 29.030 ( 2.177 -6.798 -0.994) 7.207 30.706 ( -10.152 35.582 -16.761) 40.621 35.969 ( 6.128 -16.076 14.319) 22.384 36.199 ( 5.291 -16.017 -6.433) 18.053 ======================= Grid point 519 (256/294) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -0.257 13.336 -3.695) 13.841 2.047 ( 2.308 4.657 -5.087) 7.273 2.187 ( -1.533 23.576 5.801) 24.328 2.422 ( 0.435 -3.769 -0.748) 3.867 2.675 ( -0.966 11.005 1.021) 11.095 3.213 ( 0.385 32.052 4.795) 32.411 3.971 ( 2.564 5.752 2.364) 6.726 4.161 ( -2.853 5.797 -2.673) 6.992 4.719 ( -4.262 7.864 -2.316) 9.239 5.082 ( 3.506 20.014 1.261) 20.358 6.244 ( 0.365 -15.833 -0.979) 15.868 6.672 ( -1.750 0.761 0.543) 1.984 7.232 ( 7.700 12.744 3.994) 15.416 7.353 ( -2.597 -9.594 0.141) 9.940 8.202 ( -6.154 3.812 -0.007) 7.239 8.538 ( 2.200 -6.397 -6.676) 9.504 11.467 ( -1.469 -0.111 -0.056) 1.474 11.810 ( -3.423 0.236 -1.324) 3.678 11.902 ( 7.790 -10.571 -0.663) 13.148 12.288 ( -1.787 -8.948 0.310) 9.130 12.566 ( 4.102 -0.217 2.110) 4.618 12.987 ( -5.697 9.111 -4.247) 11.554 14.196 ( -0.897 -6.866 0.829) 6.973 14.460 ( 1.029 -2.054 -0.534) 2.358 17.820 ( 4.441 -6.133 0.493) 7.588 18.236 ( 1.365 7.244 -1.842) 7.598 18.642 ( -7.343 5.017 -2.651) 9.280 18.994 ( 3.004 11.705 5.457) 13.259 26.805 ( 0.854 0.883 -0.554) 1.347 27.700 ( -5.679 18.654 4.716) 20.062 28.093 ( 5.843 2.122 0.091) 6.217 28.727 ( 0.725 0.755 1.299) 1.668 28.961 ( -1.587 -5.729 -2.267) 6.363 30.925 ( -0.321 32.857 -12.205) 35.052 35.896 ( -0.515 -15.628 12.542) 20.045 36.060 ( 0.391 -16.216 -7.529) 17.883 ======================= Grid point 520 (257/294) ======================= q-point: ( 0.58 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 5.071 14.832 0.881) 15.700 2.131 ( 3.937 3.243 -1.123) 5.223 2.366 ( -1.502 -2.121 0.848) 2.734 2.565 ( 15.180 20.904 -0.634) 25.842 2.778 ( 0.229 8.822 2.130) 9.078 3.539 ( 0.492 27.411 2.526) 27.532 4.072 ( -2.404 7.684 3.730) 8.873 4.200 ( 4.318 4.812 -0.693) 6.503 4.794 ( 7.293 4.390 -3.245) 9.110 5.345 ( 1.871 20.521 -0.368) 20.609 6.084 ( -0.461 -16.251 -2.070) 16.389 6.613 ( -4.450 2.545 -1.741) 5.414 7.196 ( -1.375 -13.313 1.416) 13.458 7.489 ( -0.419 13.510 3.907) 14.069 8.162 ( -0.398 2.988 0.987) 3.172 8.448 ( -0.799 -10.470 -3.859) 11.187 11.434 ( 0.239 -3.027 0.271) 3.049 11.798 ( -0.113 5.205 -1.722) 5.484 11.966 ( 9.367 -8.127 0.080) 12.402 12.173 ( -0.925 -8.708 -0.088) 8.757 12.617 ( 3.685 -4.176 1.462) 5.758 12.874 ( -16.059 9.819 -2.566) 18.997 14.134 ( -0.180 -3.403 0.472) 3.441 14.429 ( -1.886 -2.023 -0.428) 2.798 17.822 ( 1.807 -6.741 0.782) 7.022 18.403 ( 5.750 9.638 -1.274) 11.295 18.529 ( -4.286 1.960 -3.686) 5.983 19.173 ( 2.708 7.835 4.489) 9.427 26.912 ( 9.739 1.518 -0.380) 9.864 27.699 ( -9.455 11.526 2.051) 15.049 28.258 ( 5.174 4.815 -0.345) 7.077 28.769 ( 3.517 -4.175 4.337) 6.972 28.875 ( -2.812 0.881 -3.324) 4.442 31.228 ( 4.517 24.154 -6.130) 25.326 35.743 ( -4.113 -12.830 9.914) 16.728 35.861 ( -2.766 -13.275 -7.428) 15.462 ======================= Grid point 521 (258/294) ======================= q-point: ( 0.67 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 7.923 14.779 4.029) 17.246 2.235 ( 3.420 3.637 -0.206) 4.997 2.324 ( -0.592 -0.937 -0.050) 1.110 2.849 ( -0.116 3.662 1.959) 4.154 3.094 ( 20.731 19.101 -2.207) 28.276 3.796 ( 1.393 19.577 1.182) 19.662 4.088 ( -4.170 7.723 2.367) 9.091 4.367 ( 7.197 4.315 1.544) 8.532 5.031 ( 16.327 2.418 -2.220) 16.654 5.517 ( -4.577 17.896 -1.523) 18.535 5.873 ( -5.061 -14.668 -2.109) 15.659 6.599 ( -0.287 3.520 -1.097) 3.698 7.051 ( 0.663 -13.690 0.406) 13.712 7.498 ( -9.747 8.827 1.012) 13.189 8.231 ( 2.137 0.812 2.596) 3.459 8.290 ( -2.302 -12.164 -1.520) 12.473 11.438 ( 2.697 -0.956 0.313) 2.878 11.877 ( 1.569 7.656 -1.421) 7.943 12.053 ( 6.795 -3.361 0.285) 7.586 12.090 ( 0.749 -6.962 -0.045) 7.002 12.592 ( -6.419 -2.597 -0.841) 6.975 12.685 ( -7.024 2.030 0.827) 7.358 14.121 ( 0.896 -1.133 -0.017) 1.444 14.358 ( -3.515 -2.087 -0.270) 4.096 17.742 ( -3.291 -6.471 1.047) 7.335 18.430 ( -3.946 6.020 -0.755) 7.237 18.693 ( 12.650 4.446 -2.883) 13.715 19.257 ( -0.854 3.599 2.288) 4.349 27.140 ( 11.877 4.522 -0.087) 12.709 27.679 ( -3.586 7.587 0.349) 8.399 28.332 ( 0.040 2.313 -0.928) 2.493 28.736 ( -1.060 -4.581 0.417) 4.721 28.893 ( 0.392 2.403 1.161) 2.697 31.497 ( 5.150 14.065 -1.693) 15.073 35.579 ( -4.427 -9.220 5.589) 11.655 35.668 ( -3.897 -8.971 -4.798) 10.895 ======================= Grid point 522 (259/294) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 6.351 14.207 2.998) 15.848 2.261 ( -0.151 -1.348 0.011) 1.356 2.383 ( 3.042 5.572 -0.225) 6.352 2.849 ( -1.365 -1.522 0.557) 2.119 3.604 ( 14.910 19.431 -3.319) 24.717 3.968 ( 1.998 4.884 3.286) 6.216 4.144 ( 0.610 11.942 0.096) 11.958 4.499 ( 4.550 -0.104 0.219) 4.556 5.359 ( 15.808 2.777 -0.409) 16.055 5.558 ( -6.057 15.504 -1.389) 16.703 5.615 ( -8.374 -10.971 -0.614) 13.816 6.578 ( -2.613 -9.227 0.436) 9.600 7.011 ( 5.788 -1.867 -0.998) 6.163 7.418 ( -6.096 5.608 0.565) 8.302 8.116 ( -2.196 -12.285 -0.355) 12.485 8.225 ( -3.053 -2.904 0.992) 4.328 11.512 ( 3.798 4.252 -0.038) 5.701 11.958 ( -4.137 9.922 -1.248) 10.822 12.058 ( 2.282 -4.228 0.253) 4.811 12.127 ( 1.360 4.251 1.091) 4.595 12.411 ( -7.619 -1.136 -1.134) 7.787 12.649 ( 5.405 -12.713 1.207) 13.867 14.136 ( 1.512 0.007 -0.245) 1.532 14.272 ( -3.870 -1.563 -0.095) 4.175 17.611 ( -3.762 -6.612 1.014) 7.675 18.457 ( -0.737 6.984 -0.565) 7.045 18.930 ( 10.696 2.899 -1.527) 11.186 19.237 ( -4.156 0.527 0.813) 4.268 27.368 ( 3.369 11.846 0.463) 12.325 27.747 ( 6.616 1.226 -0.685) 6.763 28.316 ( -2.070 -1.225 -0.574) 2.472 28.687 ( -1.544 -0.142 -0.572) 1.653 28.893 ( -0.896 -1.972 1.505) 2.637 31.670 ( 3.582 6.074 0.055) 7.052 35.455 ( -2.664 -5.062 1.256) 5.857 35.521 ( -3.396 -5.516 -1.205) 6.589 ======================= Grid point 530 (260/294) ======================= q-point: ( 0.33 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -13.170 13.892 -12.795) 23.025 2.098 ( -1.018 7.824 2.199) 8.190 2.341 ( 1.103 -2.605 3.079) 4.181 2.553 ( -11.735 20.356 0.468) 23.501 2.797 ( -7.261 4.835 0.472) 8.736 3.566 ( -23.534 13.896 0.148) 27.330 4.170 ( -9.514 -0.558 -5.019) 10.771 4.207 ( -2.707 9.165 -2.460) 9.868 4.721 ( 0.209 9.285 3.708) 10.001 5.312 ( -15.188 10.942 2.951) 18.950 6.043 ( 13.649 -9.875 1.680) 16.930 6.594 ( -4.138 -2.783 0.074) 4.987 7.232 ( 11.076 -7.085 -1.942) 13.291 7.568 ( -12.085 2.038 -3.217) 12.671 8.175 ( -1.504 3.828 -0.116) 4.115 8.402 ( 8.571 -4.710 0.057) 9.780 11.443 ( 2.860 -1.034 -0.586) 3.097 11.784 ( -3.629 2.019 -0.290) 4.163 11.976 ( 10.604 4.211 -1.034) 11.456 12.168 ( 6.449 -5.015 0.354) 8.177 12.627 ( 6.892 0.079 0.641) 6.922 12.824 ( -15.911 -6.798 2.130) 17.433 14.140 ( 2.635 -2.059 -0.089) 3.345 14.425 ( 0.490 -2.510 -0.027) 2.558 17.833 ( 7.413 -1.208 -0.250) 7.515 18.391 ( -4.236 11.423 -0.397) 12.190 18.486 ( -6.358 -4.924 0.819) 8.083 19.236 ( -5.690 4.516 -1.753) 7.473 26.906 ( 3.604 9.291 0.192) 9.968 27.731 ( -14.907 -3.835 -0.956) 15.422 28.231 ( -2.497 6.336 2.112) 7.130 28.807 ( 2.624 -4.386 2.587) 5.728 28.874 ( 1.088 3.911 -4.878) 6.346 31.252 ( -17.396 16.278 -8.572) 25.320 35.665 ( 8.813 -7.605 11.809) 16.582 35.909 ( 10.013 -10.577 -6.320) 15.877 ======================= Grid point 531 (261/294) ======================= q-point: ( 0.42 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -11.396 13.634 -9.748) 20.268 2.141 ( -3.054 4.777 -0.120) 5.671 2.354 ( 1.562 -1.978 3.581) 4.380 2.587 ( -14.135 25.270 1.627) 29.000 2.764 ( -3.541 8.091 0.322) 8.838 3.369 ( -14.271 19.467 0.503) 24.143 4.021 ( -5.475 2.251 -3.580) 6.919 4.257 ( -2.465 8.920 -0.576) 9.273 4.909 ( 2.594 18.468 2.103) 18.768 5.154 ( -13.634 6.643 1.777) 15.270 6.150 ( 9.061 -14.041 1.634) 16.791 6.540 ( 0.875 2.155 0.939) 2.508 7.283 ( -1.089 1.599 -1.978) 2.767 7.367 ( -3.404 -9.517 -1.818) 10.270 8.247 ( 2.548 6.001 -1.815) 6.767 8.456 ( 3.720 -6.223 -0.316) 7.257 11.487 ( 2.269 0.587 -0.711) 2.449 11.744 ( -2.342 0.525 -0.278) 2.417 12.039 ( -3.487 -3.022 -0.177) 4.617 12.277 ( 6.192 -4.744 0.838) 7.845 12.512 ( -7.071 -6.477 1.806) 9.758 12.816 ( 11.268 5.374 -2.260) 12.687 14.164 ( 2.381 -2.746 0.239) 3.642 14.395 ( 0.435 -3.538 0.078) 3.565 17.856 ( -0.735 -5.129 -1.199) 5.318 18.299 ( -6.048 -1.179 0.041) 6.162 18.586 ( 5.107 15.034 2.290) 16.042 19.158 ( -7.553 3.984 -0.763) 8.574 27.014 ( -5.416 6.247 -0.660) 8.295 27.571 ( 0.087 7.623 1.050) 7.696 28.218 ( -5.481 3.290 2.348) 6.811 28.769 ( -1.873 -2.725 1.929) 3.828 28.932 ( 2.955 -0.303 -4.135) 5.091 31.160 ( -11.936 22.748 -8.235) 26.977 35.752 ( 7.316 -11.233 11.460) 17.636 35.916 ( 6.999 -13.097 -7.261) 16.530 ======================= Grid point 532 (262/294) ======================= q-point: ( 0.50 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -6.032 14.026 -3.799) 15.733 2.104 ( -4.301 3.992 -2.145) 6.248 2.370 ( 1.400 -1.930 1.322) 2.726 2.560 ( -12.879 19.971 1.914) 23.840 2.808 ( -2.183 9.211 1.560) 9.594 3.506 ( 0.260 25.118 1.691) 25.177 4.020 ( 0.541 7.015 -0.312) 7.043 4.288 ( -4.026 8.491 0.553) 9.413 4.932 ( -12.655 4.147 -0.530) 13.328 5.218 ( 4.561 19.965 0.061) 20.479 6.067 ( 1.278 -16.589 -0.160) 16.639 6.655 ( 5.154 1.849 1.727) 5.742 7.189 ( -2.952 -6.419 -0.032) 7.065 7.373 ( 4.071 7.440 0.463) 8.494 8.311 ( -0.569 2.749 -2.182) 3.556 8.406 ( 0.404 -9.269 -1.478) 9.395 11.507 ( -1.685 0.456 -0.231) 1.760 11.692 ( 1.422 -8.826 0.062) 8.940 11.903 ( -5.987 0.731 -1.226) 6.155 12.217 ( -0.690 -8.958 0.588) 9.004 12.501 ( 3.254 -0.903 1.791) 3.823 13.059 ( 6.997 9.291 -4.074) 12.324 14.154 ( -0.127 -3.469 0.761) 3.553 14.391 ( 2.946 -3.370 -0.140) 4.478 17.759 ( -2.614 -4.431 -0.480) 5.167 18.260 ( 1.026 2.809 -0.706) 3.073 18.783 ( -1.469 8.545 0.111) 8.671 19.097 ( -2.427 6.093 3.010) 7.217 26.884 ( -8.582 1.378 -0.836) 8.732 27.845 ( 11.535 15.170 2.865) 19.272 28.129 ( -8.142 2.260 1.822) 8.644 28.718 ( -0.798 -3.832 2.136) 4.459 28.935 ( -0.160 -0.429 -3.759) 3.786 31.234 ( -4.639 24.091 -6.426) 25.361 35.758 ( 3.441 -12.990 9.558) 16.491 35.848 ( 3.356 -13.132 -7.312) 15.401 ======================= Grid point 533 (263/294) ======================= q-point: ( 0.58 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 1.022 13.670 4.439) 14.409 2.100 ( 0.919 3.151 -1.728) 3.709 2.363 ( -0.314 -1.382 -0.286) 1.446 2.634 ( -0.019 17.387 1.025) 17.417 2.881 ( -0.784 8.668 1.891) 8.907 3.776 ( 2.081 20.640 2.295) 20.872 4.151 ( 3.991 8.390 1.551) 9.420 4.297 ( -5.866 10.561 2.034) 12.251 4.784 ( -4.523 0.311 -2.441) 5.149 5.489 ( 3.674 17.358 -2.000) 17.855 5.927 ( 0.593 -12.149 -1.273) 12.230 6.693 ( -1.614 0.940 -1.156) 2.197 7.078 ( -0.559 -10.860 0.828) 10.906 7.602 ( 5.547 13.857 4.566) 15.609 8.253 ( -5.799 0.590 -0.472) 5.848 8.311 ( 1.303 -11.271 -3.044) 11.747 11.420 ( -3.383 -4.468 0.180) 5.607 11.686 ( 8.559 -9.932 0.044) 13.111 11.877 ( -1.841 6.032 -1.195) 6.419 12.125 ( -1.253 -5.651 0.155) 5.790 12.534 ( 2.294 -3.611 0.990) 4.391 13.165 ( -5.314 10.360 -3.704) 12.219 14.115 ( -0.700 -2.092 0.694) 2.313 14.403 ( 1.781 -3.580 -0.071) 3.999 17.708 ( 2.038 -4.995 0.129) 5.396 18.374 ( 6.040 7.365 -1.474) 9.639 18.692 ( -10.316 1.561 -1.559) 10.549 19.210 ( 3.000 6.468 4.562) 8.465 26.821 ( 0.885 1.064 -0.410) 1.443 27.998 ( -10.752 7.036 1.854) 12.982 28.184 ( 9.741 7.729 1.037) 12.479 28.683 ( 1.424 -5.620 2.731) 6.409 28.918 ( -1.139 2.545 -2.774) 3.933 31.407 ( -0.177 20.050 -3.269) 20.315 35.678 ( -0.269 -12.291 4.668) 13.150 35.738 ( 0.209 -10.628 -4.049) 11.375 ======================= Grid point 534 (264/294) ======================= q-point: ( 0.67 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 5.792 12.115 10.498) 17.045 2.181 ( 5.098 2.327 -0.682) 5.645 2.337 ( -1.588 -0.081 -0.818) 1.788 2.877 ( 6.185 7.874 1.518) 10.127 2.975 ( 5.599 10.730 -1.560) 12.203 3.978 ( -0.926 14.050 3.882) 14.606 4.277 ( 2.187 4.256 1.466) 5.004 4.358 ( -2.998 16.438 2.930) 16.965 4.806 ( 8.669 -0.441 -3.291) 9.283 5.604 ( 2.545 -6.118 -3.717) 7.598 5.884 ( -2.760 9.842 -1.861) 10.390 6.655 ( -2.789 1.077 -2.011) 3.603 6.945 ( -2.460 -10.664 1.384) 11.031 7.746 ( -5.148 9.650 2.695) 11.264 8.170 ( -0.249 -13.423 -1.223) 13.480 8.228 ( -0.160 1.543 0.910) 1.798 11.371 ( 2.579 -3.086 0.159) 4.025 11.756 ( 10.576 -10.632 0.829) 15.019 11.922 ( 0.703 4.940 -1.103) 5.110 12.084 ( -0.113 0.837 -0.034) 0.846 12.516 ( 1.191 -5.981 -0.139) 6.100 13.064 ( -16.246 10.007 -2.233) 19.211 14.102 ( 0.302 -0.194 0.306) 0.472 14.372 ( -0.980 -3.692 0.119) 3.822 17.698 ( 1.477 -5.485 0.326) 5.689 18.524 ( -3.991 -0.345 -2.092) 4.519 18.597 ( 5.842 9.519 -0.480) 11.179 19.300 ( 0.354 2.582 2.915) 3.910 26.935 ( 10.774 0.956 -0.229) 10.819 27.902 ( -8.683 7.756 0.698) 11.663 28.339 ( 1.848 3.325 -0.344) 3.820 28.668 ( 2.286 -5.666 1.953) 6.414 28.933 ( -0.774 3.539 -0.499) 3.657 31.582 ( 1.164 13.365 -0.467) 13.423 35.555 ( -2.127 -8.917 1.136) 9.237 35.622 ( -1.806 -7.653 -1.386) 7.985 ======================= Grid point 536 (265/294) ======================= q-point: (-0.25 -0.42 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 8.072 10.449 11.994) 17.838 2.276 ( -0.457 1.279 -0.592) 1.481 2.332 ( 4.780 1.734 -1.390) 5.271 2.897 ( -3.826 0.457 0.348) 3.869 3.353 ( 21.563 8.130 -4.369) 23.455 4.054 ( -2.852 6.829 6.089) 9.583 4.371 ( -0.036 8.552 2.980) 9.057 4.462 ( -2.342 10.123 -0.437) 10.400 5.044 ( 18.197 1.424 -1.897) 18.351 5.496 ( 0.394 -13.923 -4.754) 14.717 5.942 ( -8.289 18.465 -0.980) 20.264 6.547 ( -6.395 -11.256 -0.397) 12.952 6.877 ( 4.879 -1.289 0.900) 5.126 7.691 ( -11.646 10.604 0.117) 15.751 8.004 ( -1.167 -14.601 -0.956) 14.679 8.243 ( -1.077 -1.495 2.039) 2.749 11.451 ( 7.022 2.013 -0.017) 7.305 11.833 ( 10.818 -11.574 1.364) 15.901 11.998 ( 3.315 4.201 -1.140) 5.471 12.133 ( 1.597 4.646 0.332) 4.924 12.458 ( -0.075 -7.183 -1.047) 7.259 12.817 ( -21.112 7.943 -0.804) 22.572 14.117 ( 0.874 0.790 -0.005) 1.178 14.306 ( -2.341 -3.241 0.222) 4.005 17.627 ( -3.626 -4.719 0.327) 5.960 18.479 ( 1.302 -0.294 -0.958) 1.643 18.824 ( 7.727 8.705 -0.643) 11.658 19.295 ( -2.497 -0.918 1.387) 3.000 27.192 ( 16.812 1.240 -0.176) 16.858 27.858 ( -6.366 8.788 0.216) 10.854 28.341 ( -2.301 -0.840 -0.462) 2.493 28.664 ( 2.003 -2.819 0.694) 3.527 28.927 ( -2.815 0.523 0.469) 2.901 31.702 ( 0.748 6.933 0.799) 7.019 35.448 ( -2.089 -5.176 0.774) 5.635 35.518 ( -2.569 -4.432 -1.224) 5.267 ======================= Grid point 543 (266/294) ======================= q-point: ( 0.33 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( -9.748 11.543 -15.638) 21.745 2.175 ( 0.215 5.851 0.487) 5.875 2.323 ( -0.973 -1.608 1.964) 2.719 2.886 ( -3.887 12.710 -0.252) 13.294 2.952 ( -5.973 5.653 2.939) 8.733 4.018 ( -14.537 7.609 -4.043) 16.898 4.295 ( -2.882 4.451 -2.165) 5.728 4.385 ( -13.577 4.118 -2.750) 14.452 4.773 ( 4.267 7.683 3.375) 9.414 5.563 ( 7.026 -1.584 4.560) 8.524 5.867 ( -10.048 2.521 1.560) 10.476 6.640 ( -1.685 -1.489 0.942) 2.438 6.958 ( 8.589 -7.314 -1.284) 11.354 7.771 ( -11.243 -1.571 -2.231) 11.570 8.156 ( 11.158 -6.956 1.454) 13.229 8.240 ( -1.172 2.179 -1.480) 2.883 11.373 ( 4.176 0.598 -0.328) 4.232 11.764 ( 13.848 4.244 -0.612) 14.497 11.915 ( -3.309 2.763 0.291) 4.321 12.086 ( -0.857 0.424 -0.547) 1.101 12.510 ( 5.729 -2.294 1.049) 6.260 13.042 ( -16.512 -8.331 2.221) 18.627 14.104 ( 0.315 0.012 -0.144) 0.346 14.374 ( 2.504 -2.655 -0.317) 3.663 17.700 ( 5.741 -1.367 -0.178) 5.904 18.508 ( -1.818 -2.650 1.118) 3.403 18.595 ( -5.481 8.912 -0.060) 10.463 19.323 ( -2.072 0.947 -1.800) 2.904 26.933 ( 4.482 9.814 0.199) 10.791 27.910 ( -10.644 -3.904 -0.762) 11.363 28.332 ( -2.482 3.187 1.188) 4.211 28.682 ( 5.686 -1.474 -0.838) 5.933 28.935 ( -2.832 1.683 -0.960) 3.431 31.595 ( -10.738 7.606 -3.114) 13.522 35.519 ( 4.661 -4.184 6.470) 9.006 35.647 ( 7.452 -7.145 -4.332) 11.196 ======================= Grid point 544 (267/294) ======================= q-point: ( 0.42 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -11.169 13.541 -10.587) 20.498 2.233 ( -1.300 5.121 0.195) 5.286 2.314 ( 0.959 -1.012 2.053) 2.482 2.859 ( -3.427 1.283 -0.228) 3.666 3.065 ( -6.266 26.847 3.609) 27.803 3.812 ( -17.183 11.152 -1.752) 20.560 4.126 ( -8.968 -0.073 -5.320) 10.427 4.376 ( -0.853 7.910 -0.278) 7.961 5.007 ( 6.679 16.285 2.496) 17.778 5.496 ( -16.717 4.830 2.820) 17.628 5.850 ( 10.109 -11.237 2.560) 15.330 6.594 ( -2.987 2.333 -0.203) 3.796 7.063 ( 11.939 -7.216 -1.968) 14.088 7.506 ( -12.538 -4.794 -0.607) 13.437 8.255 ( 0.677 2.269 -2.101) 3.166 8.275 ( 9.255 -7.722 1.410) 12.135 11.443 ( 2.375 1.718 -0.597) 2.992 11.865 ( -5.843 5.093 0.925) 7.806 12.058 ( 5.170 4.311 -0.770) 6.776 12.091 ( 6.885 -2.668 -0.080) 7.385 12.577 ( -2.519 -7.650 2.088) 8.320 12.694 ( -2.450 -3.702 -0.865) 4.522 14.121 ( 1.300 0.044 0.001) 1.301 14.357 ( -0.086 -4.045 0.047) 4.047 17.753 ( 4.342 -6.001 -1.038) 7.480 18.423 ( -6.866 -0.428 0.745) 6.919 18.672 ( 1.629 13.607 1.473) 13.783 19.275 ( -3.828 0.343 -1.227) 4.034 27.139 ( 2.358 12.766 0.057) 12.982 27.683 ( -8.841 0.094 -0.385) 8.850 28.320 ( -2.401 1.425 1.599) 3.217 28.732 ( 2.106 -3.521 0.962) 4.214 28.913 ( -0.407 1.535 -2.822) 3.238 31.501 ( -9.292 11.583 -2.698) 15.093 35.574 ( 5.574 -7.415 6.346) 11.240 35.670 ( 6.039 -8.698 -4.756) 11.609 ======================= Grid point 545 (268/294) ======================= q-point: ( 0.50 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -10.121 13.389 -2.601) 16.984 2.228 ( -4.561 4.170 -0.418) 6.194 2.329 ( 1.274 -0.976 0.391) 1.651 2.840 ( -1.782 3.828 -0.579) 4.262 3.120 ( -17.362 19.903 3.444) 26.635 3.753 ( -4.324 18.041 -0.551) 18.561 4.061 ( 0.697 4.146 -1.754) 4.555 4.441 ( -1.645 8.869 0.877) 9.063 5.217 ( -17.256 -0.480 0.876) 17.285 5.314 ( 6.493 19.138 -0.127) 20.210 5.860 ( 4.813 -14.798 1.213) 15.609 6.612 ( 1.574 3.461 -0.607) 3.851 7.151 ( 2.189 -9.099 1.165) 9.431 7.356 ( 2.106 4.854 -0.977) 5.380 8.254 ( 1.308 -5.218 -1.647) 5.626 8.334 ( 3.704 -4.236 0.474) 5.647 11.484 ( 1.648 0.137 -0.539) 1.739 11.750 ( -11.612 -2.694 1.280) 11.989 12.016 ( -5.386 2.054 -1.166) 5.881 12.145 ( 0.608 -5.773 0.152) 5.807 12.447 ( 1.622 -2.460 1.600) 3.353 12.913 ( 16.012 5.383 -2.709) 17.109 14.138 ( 0.252 -0.183 0.506) 0.594 14.314 ( 0.851 -4.493 0.107) 4.574 17.734 ( 1.078 -5.836 -1.409) 6.100 18.310 ( -5.265 2.147 0.402) 5.700 18.871 ( 3.027 11.371 1.729) 11.893 19.195 ( -4.219 0.026 0.270) 4.228 27.103 ( -13.256 3.427 -0.837) 13.718 27.774 ( 10.120 10.664 1.300) 14.759 28.280 ( -4.461 1.544 1.716) 5.023 28.697 ( -1.186 -4.388 1.557) 4.804 28.924 ( 0.865 0.892 -3.107) 3.346 31.500 ( -4.927 14.091 -1.896) 15.048 35.592 ( 4.385 -9.511 2.774) 10.834 35.657 ( 3.998 -8.672 -2.216) 9.803 ======================= Grid point 546 (269/294) ======================= q-point: ( 0.58 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -4.440 12.433 7.910) 15.391 2.169 ( -5.080 3.201 -0.635) 6.038 2.346 ( 1.311 -0.352 -0.694) 1.524 2.843 ( -4.474 7.493 -1.292) 8.822 3.028 ( -8.481 10.702 2.133) 13.821 3.917 ( 2.068 15.250 0.513) 15.398 4.175 ( 2.822 7.575 2.533) 8.471 4.508 ( -2.715 12.264 0.988) 12.599 4.923 ( -13.175 -3.573 -0.923) 13.682 5.522 ( 1.934 0.707 -2.978) 3.621 5.834 ( 4.431 2.591 0.361) 5.145 6.674 ( 2.411 0.938 -1.869) 3.191 7.034 ( -2.873 -7.269 0.745) 7.852 7.584 ( 10.619 8.518 2.627) 13.864 8.183 ( -0.724 -8.709 -0.196) 8.741 8.322 ( -0.918 -2.271 -1.190) 2.723 11.476 ( -9.974 -8.082 0.313) 12.841 11.510 ( 3.000 -2.594 0.132) 3.968 11.978 ( -3.449 4.554 -1.044) 5.807 12.105 ( -0.587 -1.173 -0.015) 1.311 12.464 ( 1.967 -3.687 1.167) 4.338 13.209 ( 9.566 7.309 -3.395) 12.508 14.126 ( -1.433 0.203 0.739) 1.625 14.308 ( 3.367 -4.804 0.137) 5.868 17.673 ( -1.606 -3.570 -0.657) 3.970 18.332 ( 3.984 4.479 -0.348) 6.004 18.882 ( -9.410 1.998 -0.924) 9.664 19.220 ( 3.549 3.887 3.313) 6.219 26.908 ( -9.349 1.415 -0.468) 9.467 28.054 ( 7.861 4.168 0.516) 8.913 28.235 ( -3.380 7.003 1.943) 8.015 28.634 ( -0.994 -4.739 1.606) 5.102 28.941 ( 0.543 2.121 -2.198) 3.103 31.585 ( -1.255 13.249 -0.556) 13.320 35.556 ( 2.007 -8.528 -1.145) 8.836 35.622 ( 1.887 -8.039 0.781) 8.294 ======================= Grid point 548 (270/294) ======================= q-point: (-0.33 -0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 1.000 10.359 15.608) 18.760 2.148 ( 0.190 2.074 -0.052) 2.083 2.356 ( -0.118 0.653 -0.885) 1.106 2.875 ( 1.461 6.852 -0.823) 7.054 3.033 ( -1.866 4.959 -0.540) 5.326 4.111 ( 2.672 11.467 3.635) 12.322 4.272 ( 1.166 3.764 3.929) 5.565 4.595 ( -3.352 12.679 -1.186) 13.168 4.737 ( -2.814 0.005 -1.311) 3.105 5.430 ( 1.303 -15.110 -3.842) 15.646 6.021 ( 2.695 14.797 -1.409) 15.107 6.684 ( -1.282 0.097 -2.740) 3.027 6.927 ( -2.901 -4.957 0.274) 5.750 7.810 ( 6.245 2.204 2.836) 7.204 8.075 ( -2.504 -6.795 1.132) 7.330 8.274 ( -2.130 0.735 -0.773) 2.382 11.304 ( -1.138 -6.144 0.043) 6.249 11.545 ( 4.654 -4.056 0.907) 6.240 11.957 ( -1.465 1.201 -0.893) 2.094 12.117 ( -0.385 5.118 -0.294) 5.141 12.442 ( 0.774 -5.755 0.225) 5.811 13.328 ( -3.463 7.280 -2.999) 8.601 14.115 ( -0.937 1.793 0.415) 2.065 14.312 ( 2.426 -5.454 0.421) 5.984 17.628 ( 0.541 -2.846 -0.064) 2.898 18.506 ( 8.215 6.318 -1.101) 10.422 18.690 ( -10.312 -0.904 -0.598) 10.369 19.315 ( 1.725 1.811 2.793) 3.749 26.840 ( 0.647 0.862 -0.150) 1.088 28.068 ( -4.036 1.398 -0.006) 4.271 28.346 ( 2.459 5.898 0.549) 6.414 28.589 ( 0.896 -4.528 1.827) 4.965 28.971 ( 0.170 3.083 -0.874) 3.209 31.695 ( -0.062 9.848 0.810) 9.881 35.495 ( -0.026 -6.303 -0.627) 6.334 35.569 ( -0.007 -5.663 -0.177) 5.666 ======================= Grid point 549 (271/294) ======================= q-point: (-0.25 -0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 4.967 7.255 17.261) 19.371 2.215 ( 5.148 1.202 0.029) 5.286 2.346 ( -1.778 1.129 -0.756) 2.238 2.960 ( -1.462 0.511 0.680) 1.691 3.098 ( 10.787 2.483 -4.340) 11.890 4.208 ( -2.909 5.884 6.756) 9.419 4.338 ( 1.920 0.036 2.564) 3.203 4.656 ( 1.526 7.398 -1.854) 7.778 4.823 ( 6.233 6.435 -0.841) 8.998 5.307 ( 3.034 -11.853 -5.373) 13.363 6.150 ( -0.991 7.238 -1.473) 7.453 6.614 ( -6.844 1.350 -1.566) 7.150 6.838 ( -1.752 -2.555 -0.096) 3.100 7.856 ( 1.384 -6.670 -0.599) 6.838 7.967 ( -6.792 2.611 1.752) 7.485 8.260 ( -1.645 -0.031 1.528) 2.246 11.317 ( 7.181 -1.783 -0.092) 7.400 11.594 ( 6.008 -5.570 1.450) 8.320 11.971 ( 2.155 1.565 -0.980) 2.838 12.174 ( 0.069 5.954 -0.154) 5.956 12.386 ( 0.187 -6.369 -0.365) 6.382 13.224 ( -15.027 6.659 -2.209) 16.584 14.128 ( -0.380 2.631 0.069) 2.659 14.282 ( 0.331 -5.203 0.611) 5.249 17.619 ( 0.476 -2.200 -0.152) 2.257 18.487 ( -5.639 -2.326 -0.768) 6.148 18.767 ( 9.292 7.432 -0.435) 11.906 19.324 ( -1.691 -1.437 1.859) 2.895 26.948 ( 10.775 0.356 -0.079) 10.782 28.020 ( -4.193 3.762 -0.027) 5.633 28.376 ( -2.018 -0.011 -0.259) 2.035 28.593 ( 2.751 -2.436 1.477) 3.960 28.982 ( -1.902 1.441 -0.167) 2.392 31.773 ( -0.626 5.808 1.473) 6.025 35.427 ( -1.085 -5.151 0.848) 5.332 35.518 ( -1.328 -1.077 -1.652) 2.377 ======================= Grid point 641 (272/294) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -0.000 -0.000 14.427) 14.427 0.804 ( -0.000 -0.000 14.427) 14.427 0.895 ( -0.000 -0.000 17.047) 17.047 1.991 ( 0.000 0.000 -6.363) 6.363 1.991 ( 0.000 0.000 -6.363) 6.363 3.471 ( 0.000 0.000 -6.759) 6.759 3.836 ( 0.000 0.000 -2.279) 2.279 3.836 ( 0.000 0.000 -2.279) 2.279 4.174 ( -0.000 -0.000 2.453) 2.453 4.174 ( -0.000 -0.000 2.453) 2.453 6.561 ( 0.000 0.000 -3.054) 3.054 6.561 ( 0.000 0.000 -3.054) 3.054 7.094 ( -0.000 -0.000 1.358) 1.358 7.991 ( -0.000 -0.000 1.857) 1.857 7.991 ( -0.000 -0.000 1.857) 1.857 8.013 ( 0.000 0.000 -0.276) 0.276 11.437 ( 0.000 0.000 -0.376) 0.376 12.024 ( -0.000 -0.000 0.799) 0.799 12.024 ( -0.000 -0.000 0.799) 0.799 12.369 ( 0.000 0.000 -0.705) 0.705 12.369 ( 0.000 0.000 -0.705) 0.705 12.979 ( -0.000 -0.000 0.058) 0.058 14.506 ( -0.000 -0.000 0.157) 0.157 15.031 ( 0.000 0.000 -0.210) 0.210 18.049 ( 0.000 0.000 -0.067) 0.067 18.049 ( 0.000 0.000 -0.067) 0.067 18.169 ( -0.000 -0.000 0.066) 0.066 18.169 ( -0.000 -0.000 0.066) 0.066 26.778 ( -0.000 0.000 -0.005) 0.005 26.778 ( -0.000 0.000 -0.005) 0.005 28.041 ( -0.000 -0.000 0.051) 0.051 28.041 ( -0.000 0.000 0.051) 0.051 29.091 ( -0.000 -0.000 0.329) 0.329 29.443 ( 0.000 0.000 -0.330) 0.330 36.799 ( -0.000 -0.000 0.197) 0.197 36.856 ( 0.000 0.000 -0.478) 0.478 ======================= Grid point 642 (273/294) ======================= q-point: ( 0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -4.211 -6.035 12.216) 14.261 1.057 ( 17.457 8.867 11.319) 22.616 1.407 ( 32.934 21.482 5.906) 39.762 2.012 ( 1.335 4.500 -6.093) 7.692 2.137 ( 14.117 4.741 -5.420) 15.847 3.120 ( -18.845 -10.031 1.796) 21.424 3.833 ( 2.489 0.127 -0.885) 2.645 3.897 ( 4.244 3.160 -3.224) 6.196 4.237 ( 4.165 5.907 2.892) 7.785 4.450 ( 15.564 6.013 0.589) 16.696 6.561 ( -0.645 2.449 -2.805) 3.779 6.681 ( 12.056 4.026 -3.926) 13.303 6.945 ( -10.387 -5.712 0.759) 11.878 7.865 ( -5.009 -8.406 5.374) 11.164 8.023 ( 1.991 1.847 1.972) 3.357 8.305 ( 12.359 10.817 -10.957) 19.744 11.432 ( -0.151 -0.055 -0.234) 0.284 11.991 ( -3.975 -0.961 -0.287) 4.100 12.140 ( 7.357 2.483 -0.429) 7.776 12.320 ( -4.051 1.186 -0.354) 4.236 12.404 ( 4.410 -0.427 -0.724) 4.490 12.949 ( -2.764 -1.683 0.280) 3.248 14.497 ( -0.773 -0.436 0.124) 0.896 14.764 ( -17.836 -10.806 2.922) 21.058 18.011 ( 0.840 -6.212 0.300) 6.276 18.107 ( -5.321 10.775 -1.596) 12.123 18.290 ( 5.416 11.427 1.050) 12.689 18.376 ( 23.038 -0.671 -4.519) 23.487 26.776 ( 0.216 -0.366 0.135) 0.446 26.956 ( 13.943 8.780 -0.539) 16.486 28.048 ( 0.217 0.748 -0.045) 0.780 28.383 ( 19.607 10.597 -7.163) 23.410 29.246 ( 5.582 3.082 4.646) 7.889 29.456 ( 12.310 6.819 -11.349) 18.078 36.598 ( -18.006 -10.600 7.614) 22.238 36.705 ( -8.821 -5.004 -0.844) 10.177 ======================= Grid point 643 (274/294) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 4.716 -1.071 -0.388) 4.851 1.539 ( 20.759 9.996 8.829) 24.673 2.083 ( 4.686 7.399 -6.219) 10.741 2.176 ( 23.672 14.196 4.249) 27.927 2.447 ( 14.110 5.765 -3.555) 15.651 2.856 ( -0.277 -0.080 3.131) 3.144 3.906 ( 6.462 -1.362 -1.110) 6.696 4.022 ( 4.530 7.599 -3.167) 9.397 4.429 ( 7.765 7.882 3.715) 11.672 4.761 ( 13.826 5.484 1.309) 14.931 6.515 ( -8.373 -1.066 -1.561) 8.583 6.724 ( -7.049 -1.340 -0.664) 7.206 6.989 ( 18.497 4.890 -5.097) 19.799 7.644 ( -9.417 -11.619 1.986) 15.088 8.097 ( 2.035 4.055 2.188) 5.036 8.488 ( 3.480 3.546 -6.387) 8.092 11.441 ( 1.037 0.747 0.008) 1.278 11.887 ( -6.030 -0.407 -1.252) 6.172 12.096 ( -4.853 -8.743 -0.736) 10.027 12.361 ( -1.735 5.365 1.640) 5.872 12.518 ( 8.982 0.443 -1.263) 9.081 12.859 ( -4.343 -1.420 1.437) 4.790 14.398 ( -12.205 -6.557 1.611) 13.948 14.479 ( -1.146 -1.136 0.676) 1.750 17.941 ( -0.437 -9.487 0.644) 9.519 18.130 ( -0.706 7.963 -2.265) 8.309 18.480 ( 2.757 11.381 0.283) 11.714 18.782 ( 19.970 3.885 -4.083) 20.750 26.781 ( 0.808 -0.509 0.238) 0.984 27.359 ( 17.963 12.810 -0.908) 22.081 28.062 ( 0.946 -0.002 0.035) 0.946 28.655 ( 7.649 4.003 -3.906) 9.475 29.129 ( -9.255 -5.910 2.073) 11.175 30.124 ( 37.552 21.409 -14.899) 45.721 36.192 ( -18.143 -10.949 13.909) 25.348 36.429 ( -13.719 -7.617 -4.558) 16.341 ======================= Grid point 644 (275/294) ======================= q-point: ( 0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 15.411 5.793 -8.049) 18.326 1.935 ( 11.304 3.783 5.680) 13.205 2.286 ( 12.704 10.408 -3.626) 16.819 2.394 ( -1.779 -0.457 1.888) 2.634 2.683 ( 10.257 5.950 0.617) 11.874 3.264 ( 26.392 13.780 0.082) 29.773 4.019 ( 8.542 -0.781 -2.443) 8.919 4.167 ( 4.445 7.645 -3.564) 9.534 4.647 ( 4.686 8.711 4.507) 10.870 5.083 ( 16.888 6.177 1.419) 18.039 6.237 ( -14.995 -7.395 -0.161) 16.720 6.678 ( -2.411 3.795 -0.289) 4.505 7.337 ( 9.410 -8.864 -4.367) 13.645 7.362 ( -1.380 2.139 -1.936) 3.198 8.180 ( 0.862 5.743 2.027) 6.151 8.466 ( -4.595 -3.233 -0.097) 5.619 11.468 ( -0.318 1.197 -0.051) 1.240 11.806 ( -3.120 3.122 -0.872) 4.499 11.900 ( -4.529 -12.126 -0.612) 12.959 12.284 ( -8.164 -1.973 0.600) 8.420 12.593 ( 1.266 -4.231 -0.562) 4.452 12.906 ( 5.153 8.679 3.477) 10.676 14.204 ( -5.944 -2.427 0.107) 6.421 14.452 ( -1.037 -1.570 0.215) 1.894 17.823 ( -2.955 -7.304 0.182) 7.881 18.227 ( 5.735 2.710 -0.830) 6.397 18.612 ( -0.448 10.624 0.531) 10.647 19.084 ( 12.398 2.527 -3.553) 13.142 26.796 ( 1.328 -0.437 0.277) 1.425 27.771 ( 12.530 14.653 -1.721) 19.357 28.087 ( 3.999 -3.023 0.586) 5.047 28.775 ( 4.502 1.377 -3.204) 5.695 28.917 ( -8.244 -4.638 1.819) 9.632 30.877 ( 29.150 16.861 -7.841) 34.576 35.863 ( -13.516 -8.369 12.993) 20.531 36.083 ( -14.035 -7.628 -7.033) 17.454 ======================= Grid point 645 (276/294) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 15.236 6.646 -12.034) 20.521 2.085 ( 4.110 1.313 1.388) 4.532 2.355 ( -1.323 -0.335 1.447) 1.989 2.636 ( 13.974 8.121 0.537) 16.171 2.893 ( 7.146 5.197 -0.499) 8.850 3.794 ( 19.931 8.407 -1.189) 21.664 4.169 ( 8.807 0.317 -2.336) 9.117 4.325 ( 6.618 9.914 -3.646) 12.465 4.755 ( -1.955 5.023 3.457) 6.403 5.466 ( 15.828 5.139 2.724) 16.863 5.917 ( -10.720 -5.882 0.691) 12.247 6.681 ( -0.932 1.743 1.355) 2.396 7.085 ( -9.462 -5.556 -0.483) 10.983 7.654 ( 14.512 1.826 -6.047) 15.828 8.244 ( -1.084 5.522 1.251) 5.765 8.286 ( -9.379 -6.709 2.015) 11.706 11.423 ( -5.607 0.647 -0.392) 5.658 11.687 ( -3.976 -12.144 -0.133) 12.779 11.871 ( 4.007 4.265 0.065) 5.852 12.127 ( -5.592 -1.652 -0.212) 5.835 12.539 ( -2.329 -3.642 0.021) 4.323 13.129 ( 6.846 9.627 3.559) 12.338 14.121 ( -2.224 -0.346 -0.462) 2.297 14.403 ( -2.056 -3.192 -0.133) 3.799 17.708 ( -3.221 -4.510 0.081) 5.543 18.365 ( 9.046 -1.330 0.475) 9.155 18.681 ( -3.705 9.905 0.763) 10.603 19.249 ( 6.613 0.516 -3.390) 7.449 26.818 ( 1.459 -0.250 0.244) 1.500 28.013 ( -0.491 12.050 -1.329) 12.133 28.188 ( 11.811 -3.371 0.261) 12.285 28.711 ( -4.990 -4.776 -2.815) 7.458 28.895 ( 2.955 2.301 1.704) 4.114 31.403 ( 17.581 10.302 -2.498) 20.529 35.636 ( -8.677 -5.458 8.758) 13.482 35.771 ( -10.963 -5.878 -6.247) 13.920 ======================= Grid point 654 (277/294) ======================= q-point: ( 0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -1.692 -8.315 11.891) 14.608 1.137 ( -1.998 21.129 7.494) 22.508 1.423 ( 2.104 39.643 4.768) 39.984 1.961 ( 2.221 1.624 -4.137) 4.969 2.136 ( -1.847 14.283 -5.159) 15.299 3.104 ( 0.479 -21.738 1.995) 21.834 3.838 ( 2.084 1.801 -0.776) 2.862 3.909 ( -2.700 6.873 -4.329) 8.560 4.282 ( 3.987 8.452 0.957) 9.394 4.411 ( -3.377 15.265 2.428) 15.822 6.542 ( 0.539 -0.325 -1.753) 1.863 6.647 ( -0.422 9.339 -1.706) 9.503 6.947 ( 0.028 -11.914 0.725) 11.936 7.859 ( -1.944 -9.681 5.127) 11.126 8.032 ( -1.914 3.132 1.556) 3.987 8.317 ( 3.057 18.768 -10.884) 21.910 11.432 ( 0.018 0.020 -0.287) 0.289 11.973 ( -0.242 -4.465 0.593) 4.510 12.171 ( 1.772 8.888 -1.994) 9.279 12.318 ( -0.525 -1.744 -0.112) 1.825 12.396 ( -0.834 2.179 -0.260) 2.348 12.953 ( -0.135 -2.596 -0.053) 2.600 14.496 ( -0.009 -1.097 0.164) 1.109 14.788 ( -0.415 -18.948 1.169) 18.989 18.017 ( 7.420 -1.254 -0.281) 7.530 18.065 ( -4.880 -1.116 1.239) 5.157 18.293 ( 7.052 10.480 0.770) 12.655 18.367 ( -8.488 16.671 -3.460) 19.024 26.783 ( -0.008 0.305 -0.249) 0.394 26.924 ( 0.034 13.623 1.384) 13.693 28.046 ( 0.735 0.542 0.092) 0.918 28.373 ( -0.650 22.105 -6.041) 22.925 29.250 ( -0.108 6.300 4.459) 7.719 29.449 ( -0.204 14.221 -10.364) 17.598 36.625 ( -0.163 -18.350 5.974) 19.299 36.700 ( 0.082 -11.054 -1.100) 11.109 ======================= Grid point 655 (278/294) ======================= q-point: ( 0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -1.439 -2.731 5.017) 5.890 1.490 ( 10.344 24.330 7.590) 27.505 1.983 ( 14.923 18.541 -2.480) 23.929 2.074 ( 7.737 17.000 -3.115) 18.936 2.321 ( 7.394 12.929 -1.184) 14.941 2.875 ( -4.292 -11.081 3.166) 12.298 3.871 ( -1.373 4.040 -1.107) 4.409 3.978 ( 5.619 5.141 -1.972) 7.868 4.450 ( 5.298 11.519 -0.776) 12.703 4.641 ( 8.164 12.430 3.312) 15.235 6.573 ( 4.237 -0.759 -3.512) 5.555 6.715 ( -6.632 -7.750 -0.940) 10.244 6.858 ( 5.317 8.312 0.797) 9.900 7.706 ( -6.943 -10.184 4.863) 13.250 8.061 ( 3.363 1.090 2.094) 4.109 8.494 ( 2.123 10.424 -9.408) 14.201 11.438 ( 0.452 0.912 -0.153) 1.029 11.895 ( -1.454 -6.848 -0.412) 7.013 12.204 ( -9.224 -0.366 -1.457) 9.346 12.342 ( 9.632 1.657 -1.882) 9.953 12.447 ( -0.054 6.022 1.878) 6.309 12.887 ( -2.835 -4.875 0.505) 5.662 14.470 ( -1.433 -6.071 1.250) 6.362 14.508 ( -8.457 -9.800 0.426) 12.951 17.940 ( -5.638 -0.317 0.093) 5.648 18.252 ( 4.182 0.217 0.232) 4.194 18.346 ( 8.698 5.798 -7.728) 12.999 18.629 ( 8.302 17.381 3.673) 19.609 26.814 ( 0.390 3.226 0.096) 3.251 27.168 ( 11.551 12.280 0.691) 16.873 28.080 ( 0.701 2.870 -0.616) 3.017 28.588 ( 5.592 9.672 -3.103) 11.595 29.190 ( -4.923 -9.088 2.664) 10.673 29.869 ( 19.426 37.466 -11.944) 43.860 36.350 ( -10.943 -17.677 10.800) 23.428 36.496 ( -7.418 -13.647 -4.379) 16.139 ======================= Grid point 656 (279/294) ======================= q-point: ( 0.58 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 7.485 8.256 -1.325) 11.223 1.902 ( 6.434 16.625 7.129) 19.200 2.212 ( 10.413 12.658 -6.009) 17.457 2.405 ( 1.576 3.121 -0.626) 3.552 2.587 ( 9.314 9.020 1.160) 13.018 2.986 ( 18.497 13.696 1.305) 23.053 3.917 ( 2.992 3.085 -1.350) 4.505 4.133 ( 6.139 5.724 -1.355) 8.502 4.702 ( 7.491 14.298 1.978) 16.262 4.908 ( 9.585 9.098 0.656) 13.231 6.411 ( -13.714 -8.503 -1.237) 16.183 6.650 ( 6.076 -4.888 -3.844) 8.694 7.091 ( 8.439 8.709 -0.710) 12.148 7.472 ( -9.605 -7.165 1.787) 12.115 8.171 ( 5.840 1.370 4.097) 7.264 8.523 ( -3.205 1.542 -3.612) 5.069 11.471 ( 1.528 1.832 0.176) 2.392 11.804 ( -0.786 -6.337 -0.756) 6.430 12.016 ( -11.381 1.011 -1.106) 11.479 12.396 ( -4.586 -2.550 0.174) 5.250 12.509 ( 2.472 -0.165 -0.690) 2.571 12.851 ( 5.342 -1.801 3.197) 6.481 14.269 ( -5.465 -6.531 0.526) 8.532 14.444 ( -1.163 -2.291 -0.061) 2.570 17.846 ( -4.915 -0.711 0.273) 4.974 18.235 ( -2.535 3.499 -0.834) 4.400 18.602 ( 12.624 2.671 -4.442) 13.646 18.929 ( 8.016 10.935 1.069) 13.600 26.847 ( -2.122 6.442 0.513) 6.802 27.528 ( 18.934 4.369 -1.116) 19.463 28.114 ( -1.473 5.965 -1.291) 6.278 28.729 ( 3.473 4.528 -1.448) 5.888 28.998 ( -6.796 -7.542 1.973) 10.342 30.597 ( 25.055 29.099 -6.021) 38.869 36.023 ( -12.054 -13.338 12.115) 21.679 36.176 ( -10.675 -12.858 -7.565) 18.344 ======================= Grid point 657 (280/294) ======================= q-point: ( 0.67 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 12.121 11.690 -4.330) 17.387 2.083 ( 1.862 7.146 2.121) 7.683 2.371 ( -1.487 -2.213 1.028) 2.857 2.576 ( 9.709 19.499 -1.201) 21.816 2.819 ( 7.873 7.429 -0.667) 10.845 3.515 ( 22.055 11.480 -0.140) 24.864 4.025 ( 6.918 2.008 -1.487) 7.355 4.300 ( 6.079 7.899 -1.764) 10.122 4.917 ( -2.541 14.168 2.451) 14.601 5.217 ( 18.022 6.055 0.368) 19.016 6.069 ( -14.232 -8.971 -0.659) 16.837 6.668 ( 2.448 -4.080 -0.987) 4.860 7.187 ( -6.794 -1.213 0.415) 6.914 7.392 ( 10.566 -0.474 -3.399) 11.109 8.279 ( 2.362 0.586 4.102) 4.769 8.404 ( -8.012 -2.517 -0.660) 8.424 11.505 ( -0.114 1.300 0.266) 1.331 11.697 ( -7.163 -5.029 -0.936) 8.802 11.895 ( -2.864 5.403 0.345) 6.125 12.222 ( -8.175 -3.843 -0.276) 9.038 12.515 ( 0.732 -3.234 -0.962) 3.452 13.019 ( 11.569 -0.956 4.128) 12.321 14.160 ( -2.895 -1.583 -0.565) 3.347 14.390 ( -1.457 -4.076 -0.062) 4.329 17.754 ( -4.965 -0.505 0.605) 5.027 18.257 ( 2.575 0.871 -0.053) 2.718 18.789 ( 4.512 6.624 -0.976) 8.074 19.122 ( 6.195 3.669 -2.244) 7.541 26.877 ( -2.949 8.025 0.567) 8.568 27.866 ( 18.739 -3.420 -1.474) 19.105 28.147 ( -2.275 8.848 -1.683) 9.289 28.744 ( -3.854 -1.677 -3.327) 5.361 28.896 ( 0.087 0.011 4.137) 4.137 31.207 ( 18.883 16.974 -0.944) 25.408 35.754 ( -9.657 -9.440 9.442) 16.478 35.854 ( -9.717 -9.551 -7.596) 15.599 ======================= Grid point 667 (281/294) ======================= q-point: ( 0.42 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -0.361 -2.171 0.817) 2.347 1.525 ( -11.637 25.400 5.312) 28.439 1.945 ( -8.000 17.540 -0.341) 19.282 2.026 ( -12.182 15.858 1.099) 20.027 2.361 ( -8.296 13.533 -4.371) 16.464 2.871 ( 4.224 -10.199 3.698) 11.642 3.868 ( -4.773 0.914 -0.472) 4.882 3.982 ( 0.477 7.911 -2.594) 8.339 4.409 ( -3.463 12.557 2.864) 13.337 4.675 ( -9.429 11.519 0.137) 14.886 6.535 ( 1.766 0.769 0.337) 1.956 6.705 ( 3.460 -11.664 0.140) 12.167 6.892 ( -7.987 9.037 -2.691) 12.357 7.760 ( 2.342 -11.805 0.134) 12.036 8.084 ( 1.878 5.726 0.306) 6.034 8.447 ( -3.234 9.325 -5.895) 11.497 11.437 ( -0.369 0.992 -0.117) 1.064 11.897 ( 4.252 -4.876 -0.552) 6.493 12.185 ( -3.492 -8.252 0.267) 8.964 12.318 ( 4.682 8.762 0.657) 9.956 12.480 ( -5.275 3.237 -1.395) 6.344 12.895 ( 3.628 -3.237 -0.414) 4.880 14.479 ( 0.395 -1.677 0.250) 1.741 14.505 ( 9.893 -14.139 0.904) 17.281 17.944 ( -3.921 -5.379 -0.396) 6.668 18.231 ( 3.214 12.153 3.984) 13.187 18.260 ( -2.883 0.504 -0.524) 2.974 18.704 ( -11.975 14.845 -4.165) 19.522 26.819 ( -1.731 2.651 -0.391) 3.190 27.160 ( -9.099 13.526 1.350) 16.357 28.064 ( -1.820 1.290 0.787) 2.365 28.597 ( -5.406 9.827 -3.832) 11.852 29.198 ( 4.654 -8.474 1.964) 9.866 29.875 ( -19.421 37.761 -12.608) 44.294 36.358 ( 10.700 -17.250 10.667) 22.931 36.491 ( 7.607 -13.968 -4.500) 16.529 ======================= Grid point 668 (282/294) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( -0.520 0.513 1.393) 1.573 1.651 ( 0.151 25.591 -0.172) 25.592 1.992 ( -0.958 4.440 0.682) 4.593 2.237 ( 2.252 31.217 -1.408) 31.329 2.415 ( -0.860 14.678 -1.036) 14.739 2.830 ( -0.339 -3.136 5.538) 6.374 3.890 ( 3.430 3.339 0.780) 4.850 4.024 ( -3.110 6.911 -3.337) 8.281 4.493 ( -1.351 12.116 -2.354) 12.416 4.741 ( 0.926 15.570 3.029) 15.889 6.496 ( -1.302 -6.579 0.028) 6.707 6.717 ( 0.926 -7.497 0.425) 7.566 6.913 ( 1.680 15.935 1.908) 16.137 7.636 ( 0.507 -14.314 2.413) 14.525 8.118 ( -4.464 4.313 0.330) 6.215 8.514 ( 2.314 6.715 -8.422) 11.018 11.444 ( -0.125 1.367 -0.258) 1.397 11.871 ( -2.612 -5.286 0.230) 5.901 12.099 ( 5.800 -8.933 -0.924) 10.691 12.395 ( -4.841 -0.331 -1.457) 5.067 12.493 ( 3.594 8.554 1.268) 9.364 12.889 ( -1.854 -1.680 -1.801) 3.082 14.403 ( -0.932 -12.639 0.861) 12.702 14.499 ( 0.580 -3.591 -0.993) 3.770 17.944 ( 8.401 -5.597 0.400) 10.103 18.108 ( -5.677 4.669 -0.131) 7.352 18.496 ( -3.043 8.713 -1.315) 9.322 18.716 ( 1.436 17.305 2.497) 17.543 26.789 ( 0.616 0.520 -0.486) 0.942 27.306 ( -1.721 20.970 3.980) 21.414 28.063 ( 1.944 1.056 0.003) 2.212 28.634 ( -0.326 8.232 -1.741) 8.421 29.139 ( -0.405 -10.592 1.001) 10.647 30.092 ( -0.263 43.725 -10.911) 45.067 36.290 ( -0.380 -19.059 10.233) 21.635 36.381 ( 0.295 -17.400 -6.233) 18.485 ======================= Grid point 669 (283/294) ======================= q-point: ( 0.58 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 3.385 10.416 2.232) 11.177 2.037 ( 1.215 16.133 7.067) 17.654 2.074 ( 15.927 14.159 -7.490) 22.588 2.422 ( -0.057 2.595 -3.629) 4.461 2.582 ( 3.301 11.283 1.604) 11.865 2.983 ( 4.602 23.895 4.339) 24.718 3.965 ( -1.937 5.069 2.002) 5.784 4.079 ( 5.081 6.224 -1.841) 8.243 4.643 ( 7.880 9.088 -3.325) 12.480 4.965 ( 3.320 17.043 1.789) 17.456 6.400 ( 0.744 -14.814 -1.813) 14.943 6.587 ( -5.994 -0.726 -1.566) 6.237 7.159 ( 1.797 15.989 2.876) 16.345 7.505 ( -2.027 -12.329 4.315) 13.219 8.108 ( 1.446 2.479 1.181) 3.104 8.548 ( -0.074 -0.439 -5.441) 5.459 11.461 ( 0.862 0.771 0.061) 1.158 11.771 ( -1.956 -3.648 -0.411) 4.160 12.107 ( 1.832 -6.418 -0.599) 6.701 12.327 ( 0.843 -4.177 -1.119) 4.405 12.612 ( -0.920 7.677 1.063) 7.804 12.779 ( -4.993 -4.253 -0.753) 6.602 14.254 ( -2.373 -8.899 0.496) 9.223 14.459 ( -2.042 -1.335 -0.560) 2.503 17.934 ( -2.976 -2.868 0.943) 4.239 18.250 ( 10.572 3.730 -1.124) 11.266 18.440 ( -3.786 5.598 -4.454) 8.094 18.974 ( 4.720 13.531 4.360) 14.979 26.873 ( 6.339 2.402 -0.251) 6.784 27.449 ( -2.199 13.910 2.171) 14.249 28.154 ( 3.647 4.873 -1.138) 6.192 28.727 ( 2.709 5.773 0.552) 6.400 29.000 ( -3.209 -9.982 0.622) 10.503 30.591 ( 11.617 36.672 -5.101) 38.804 36.075 ( -6.601 -16.254 10.675) 20.536 36.137 ( -4.936 -16.571 -8.698) 19.355 ======================= Grid point 670 (284/294) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 7.235 15.528 3.630) 17.511 2.136 ( 1.819 6.072 0.805) 6.390 2.371 ( -1.444 -3.000 -0.022) 3.330 2.611 ( 14.303 24.939 -2.987) 28.904 2.762 ( 6.817 7.449 0.606) 10.116 3.366 ( 10.338 21.312 1.193) 23.717 3.994 ( -0.141 4.310 1.654) 4.619 4.255 ( 7.056 6.659 -0.123) 9.702 4.927 ( 15.804 7.556 -1.590) 17.589 5.164 ( -0.915 15.805 -0.297) 15.834 6.168 ( -8.337 -14.194 -1.921) 16.573 6.555 ( 2.607 -0.839 -2.013) 3.399 7.268 ( 1.238 0.659 0.966) 1.703 7.349 ( -8.416 -0.621 1.911) 8.653 8.219 ( 5.898 1.023 3.553) 6.961 8.467 ( -3.969 -5.593 -2.212) 7.206 11.480 ( 1.529 -1.879 0.686) 2.518 11.747 ( -0.362 2.861 -0.943) 3.034 12.040 ( -4.752 1.222 -0.376) 4.921 12.284 ( -1.033 -8.055 -0.587) 8.142 12.528 ( -9.340 3.126 -1.292) 9.934 12.791 ( 9.472 -6.261 2.820) 11.700 14.166 ( -0.904 -3.562 -0.116) 3.677 14.397 ( -2.954 -2.097 -0.310) 3.636 17.844 ( -4.865 -2.131 1.252) 5.457 18.301 ( -3.964 4.914 -0.373) 6.324 18.617 ( 15.020 2.559 -4.100) 15.778 19.144 ( 0.961 8.401 1.947) 8.677 27.008 ( 2.150 8.117 0.477) 8.410 27.578 ( 7.900 2.876 -0.392) 8.416 28.240 ( 0.163 6.298 -1.972) 6.601 28.792 ( -2.859 1.234 -2.697) 4.120 28.889 ( 0.980 -3.721 4.672) 6.053 31.118 ( 13.598 23.193 0.235) 26.886 35.826 ( -7.989 -13.145 5.696) 16.403 35.862 ( -6.380 -11.806 -5.494) 14.501 ======================= Grid point 680 (285/294) ======================= q-point: ( 0.42 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -7.891 9.192 -6.138) 13.581 1.993 ( -3.933 19.741 8.818) 21.976 2.104 ( -13.775 10.117 -6.136) 18.159 2.392 ( -2.685 2.528 2.437) 4.420 2.595 ( -7.444 8.049 -0.942) 11.004 3.008 ( -19.151 15.044 -0.635) 24.361 3.990 ( -7.978 -0.152 -2.858) 8.476 4.070 ( -1.603 9.165 -0.241) 9.307 4.608 ( -3.226 11.923 3.615) 12.869 4.972 ( -12.322 10.780 0.299) 16.375 6.383 ( 12.841 -7.607 1.524) 15.002 6.577 ( -2.649 -6.183 0.445) 6.741 7.190 ( -13.384 7.966 -3.296) 15.920 7.545 ( 9.116 -7.724 -3.602) 12.479 8.116 ( -0.330 4.040 -0.494) 4.084 8.516 ( 1.005 0.427 0.792) 1.348 11.462 ( -0.321 1.404 -0.116) 1.445 11.773 ( 2.477 -3.878 -0.785) 4.668 12.102 ( 5.943 -1.784 0.282) 6.211 12.315 ( 3.671 -0.923 1.194) 3.969 12.619 ( -8.338 1.586 -0.389) 8.496 12.773 ( 4.326 -4.456 0.534) 6.233 14.255 ( 6.473 -6.467 0.167) 9.152 14.454 ( 0.187 -2.277 0.387) 2.317 17.943 ( 1.128 -3.876 -0.916) 4.139 18.240 ( 2.424 12.125 0.831) 12.393 18.407 ( -8.187 -2.189 2.344) 8.792 19.012 ( -9.769 9.989 -3.506) 14.405 26.871 ( 1.427 6.929 0.109) 7.075 27.465 ( -14.525 3.901 -0.945) 15.069 28.140 ( -2.561 5.027 1.653) 5.879 28.738 ( -4.193 4.790 -1.549) 6.551 29.006 ( 7.641 -6.863 -0.611) 10.289 30.598 ( -24.751 29.170 -6.621) 38.825 36.037 ( 12.191 -12.705 11.978) 21.295 36.164 ( 10.612 -13.430 -7.769) 18.797 ======================= Grid point 681 (286/294) ======================= q-point: ( 0.50 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -4.781 9.227 -3.387) 10.930 1.970 ( -10.246 11.911 -6.986) 17.195 2.140 ( -6.417 17.668 8.621) 20.679 2.405 ( 0.206 3.346 -0.713) 3.427 2.595 ( -3.695 12.249 -0.628) 12.810 2.982 ( -4.779 22.473 2.291) 23.090 3.911 ( -1.793 3.810 0.019) 4.210 4.128 ( -1.926 7.760 -0.526) 8.013 4.714 ( -5.937 15.339 -0.557) 16.457 4.908 ( -4.248 11.813 0.659) 12.571 6.402 ( 0.759 -16.015 0.501) 16.040 6.613 ( 7.765 3.127 3.663) 9.137 7.088 ( -5.675 10.544 -0.287) 11.978 7.489 ( 0.543 -12.918 -1.584) 13.026 8.205 ( 1.033 6.227 -2.524) 6.798 8.512 ( -0.537 -0.945 -1.520) 1.869 11.473 ( -0.875 2.367 -0.224) 2.533 11.802 ( 5.089 -4.058 -0.353) 6.518 12.008 ( -6.160 -8.956 0.481) 10.881 12.394 ( 0.817 -4.844 0.580) 4.947 12.501 ( 0.838 0.904 0.985) 1.577 12.884 ( 4.575 4.991 -3.573) 7.655 14.270 ( 2.918 -8.471 0.185) 8.961 14.444 ( 1.804 -2.128 -0.144) 2.793 17.848 ( -2.319 -4.475 -0.239) 5.046 18.230 ( -4.529 -0.144 0.079) 4.532 18.563 ( 6.184 13.696 3.459) 15.421 18.938 ( -7.919 10.506 -0.726) 13.176 26.854 ( -6.653 1.440 -0.804) 6.854 27.508 ( 4.236 18.242 2.849) 18.943 28.101 ( -5.275 1.510 1.485) 5.685 28.722 ( -2.457 4.166 0.140) 4.839 29.017 ( 2.773 -8.492 -1.702) 9.094 30.596 ( -11.591 36.759 -5.712) 38.964 36.089 ( 5.989 -15.981 10.419) 19.995 36.125 ( 5.511 -16.827 -8.798) 19.772 ======================= Grid point 682 (287/294) ======================= q-point: ( 0.58 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 1.397 13.843 2.559) 14.147 1.992 ( 2.673 8.507 -5.904) 10.695 2.242 ( -2.526 19.565 5.223) 20.407 2.411 ( 0.087 -2.405 -1.541) 2.858 2.683 ( -0.525 11.559 0.539) 11.583 3.251 ( 0.771 30.379 2.708) 30.509 3.995 ( 4.117 6.503 2.524) 8.100 4.148 ( -3.892 6.703 0.248) 7.755 4.689 ( -4.945 8.236 -3.846) 10.348 5.089 ( 3.419 18.606 0.100) 18.918 6.238 ( -0.244 -16.235 -0.391) 16.242 6.676 ( -3.417 0.391 0.258) 3.449 7.281 ( 9.415 13.516 5.918) 17.502 7.356 ( -1.625 -10.333 0.355) 10.466 8.197 ( -5.730 3.607 -1.190) 6.874 8.485 ( 1.638 -5.151 -3.945) 6.692 11.467 ( -1.354 0.098 0.018) 1.357 11.803 ( -3.874 -0.430 -0.153) 3.900 11.898 ( 8.080 -10.287 -0.131) 13.081 12.288 ( -2.126 -8.586 -0.181) 8.847 12.583 ( 4.194 -0.485 1.454) 4.466 12.945 ( -5.253 9.022 -4.257) 11.275 14.202 ( -0.899 -6.731 0.386) 6.802 14.455 ( 0.938 -1.883 -0.431) 2.147 17.823 ( 4.695 -6.219 0.191) 7.795 18.225 ( 0.869 6.840 -0.503) 6.913 18.622 ( -8.497 4.966 -1.487) 9.953 19.043 ( 3.622 12.059 4.700) 13.440 26.799 ( 0.980 0.899 -0.478) 1.413 27.743 ( -6.342 18.302 3.826) 19.744 28.091 ( 5.523 2.186 -0.325) 5.949 28.746 ( 1.076 2.700 2.605) 3.903 28.938 ( -1.070 -7.613 -2.399) 8.053 30.852 ( -0.168 34.324 -2.595) 34.422 35.974 ( 0.437 -16.596 -9.756) 19.256 36.003 ( -0.459 -15.784 9.247) 18.299 ======================= Grid point 684 (288/294) ======================= q-point: (-0.33 -0.42 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 5.305 16.419 8.240) 19.121 2.117 ( 5.157 3.607 -1.779) 6.539 2.363 ( -1.358 -2.787 -1.319) 3.369 2.558 ( 13.309 21.728 -0.647) 25.488 2.794 ( 0.426 8.868 1.075) 8.943 3.559 ( 0.209 26.917 1.555) 26.962 4.117 ( -4.423 8.028 5.301) 10.588 4.197 ( 6.166 5.932 0.227) 8.559 4.759 ( 7.611 4.455 -3.926) 9.654 5.335 ( 1.943 19.410 -1.677) 19.579 6.062 ( -0.970 -16.486 -2.198) 16.660 6.599 ( -4.696 2.394 -1.065) 5.377 7.213 ( -1.282 -13.223 1.907) 13.421 7.530 ( -2.167 12.464 4.372) 13.385 8.170 ( 1.258 3.036 0.718) 3.364 8.416 ( -0.206 -9.598 -2.548) 9.933 11.438 ( 0.375 -3.060 0.528) 3.127 11.786 ( -0.120 4.876 -0.752) 4.935 11.969 ( 9.216 -7.641 0.478) 11.981 12.171 ( -1.035 -8.510 -0.250) 8.576 12.627 ( 3.679 -5.038 0.541) 6.262 12.848 ( -14.924 10.166 -2.719) 18.261 14.138 ( -0.377 -3.399 0.319) 3.435 14.426 ( -1.914 -1.855 -0.229) 2.675 17.829 ( 2.176 -6.904 0.625) 7.266 18.393 ( 7.312 9.556 -0.716) 12.054 18.500 ( -6.348 2.618 -2.151) 7.196 19.211 ( 1.873 7.508 3.325) 8.423 26.909 ( 9.805 1.537 -0.325) 9.930 27.718 ( -10.250 11.058 1.703) 15.174 28.249 ( 4.613 5.141 -1.448) 7.057 28.813 ( 2.358 -7.208 3.585) 8.388 28.847 ( -1.105 3.878 -1.577) 4.329 31.204 ( 5.234 24.765 1.197) 25.340 35.767 ( -2.773 -13.317 -8.804) 16.203 35.841 ( -3.969 -13.010 7.210) 15.395 ======================= Grid point 805 (289/294) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -0.000 -0.000 8.185) 8.185 0.916 ( -0.000 -0.000 8.185) 8.185 1.026 ( -0.000 -0.000 9.548) 9.548 1.937 ( 0.000 0.000 -4.294) 4.294 1.937 ( 0.000 0.000 -4.294) 4.294 3.416 ( 0.000 0.000 -4.154) 4.154 3.819 ( 0.000 0.000 -1.120) 1.120 3.819 ( 0.000 0.000 -1.120) 1.120 4.193 ( -0.000 -0.000 1.360) 1.360 4.193 ( -0.000 -0.000 1.360) 1.360 6.537 ( 0.000 0.000 -1.794) 1.794 6.537 ( 0.000 0.000 -1.794) 1.794 7.105 ( -0.000 -0.000 0.857) 0.857 8.005 ( -0.000 -0.000 1.042) 1.042 8.005 ( -0.000 -0.000 1.042) 1.042 8.010 ( 0.000 0.000 -0.221) 0.221 11.433 ( 0.000 0.000 -0.291) 0.291 12.030 ( -0.000 -0.000 0.471) 0.471 12.030 ( -0.000 -0.000 0.471) 0.471 12.363 ( 0.000 0.000 -0.415) 0.415 12.363 ( 0.000 0.000 -0.415) 0.415 12.979 ( -0.000 -0.000 0.074) 0.074 14.507 ( -0.000 -0.000 0.103) 0.103 15.029 ( 0.000 0.000 -0.141) 0.141 18.049 ( 0.000 0.000 -0.034) 0.034 18.049 ( 0.000 0.000 -0.034) 0.034 18.170 ( -0.000 -0.000 0.034) 0.034 18.170 ( -0.000 0.000 0.034) 0.034 26.778 ( 0.000 0.000 -0.004) 0.004 26.778 ( 0.000 0.000 -0.004) 0.004 28.042 ( -0.000 0.000 0.030) 0.030 28.042 ( -0.000 0.000 0.030) 0.030 29.094 ( -0.000 -0.000 0.274) 0.274 29.440 ( 0.000 0.000 -0.277) 0.277 36.800 ( -0.000 -0.000 0.081) 0.081 36.852 ( 0.000 0.000 -0.239) 0.239 ======================= Grid point 806 (290/294) ======================= q-point: ( 0.50 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -8.397 -6.579 5.332) 11.926 1.146 ( 16.747 9.013 6.635) 20.142 1.444 ( 32.916 20.376 1.931) 38.761 1.961 ( 1.973 2.868 -4.063) 5.350 2.101 ( 13.571 6.260 -1.946) 15.072 3.125 ( -16.725 -9.282 -0.322) 19.130 3.832 ( 3.219 -0.831 0.472) 3.358 3.873 ( 3.449 4.405 -1.434) 5.775 4.264 ( 5.216 4.867 2.418) 7.532 4.448 ( 15.190 7.159 -0.940) 16.819 6.539 ( -0.245 1.542 -1.556) 2.204 6.650 ( 10.730 4.343 -2.261) 11.794 6.951 ( -10.729 -5.995 0.418) 12.297 7.902 ( -6.527 -7.558 1.895) 10.164 8.039 ( 1.708 2.845 1.203) 3.530 8.233 ( 12.581 8.761 -3.516) 15.728 11.430 ( -0.048 -0.012 -0.111) 0.122 11.987 ( -4.218 -1.481 -0.624) 4.513 12.142 ( 7.196 2.278 0.846) 7.595 12.318 ( -3.339 1.061 -0.127) 3.506 12.398 ( 3.710 0.094 -0.503) 3.745 12.952 ( -2.604 -1.506 0.170) 3.013 14.498 ( -0.822 -0.463 0.044) 0.944 14.784 ( -16.999 -10.013 1.400) 19.778 18.013 ( 1.267 -5.973 0.181) 6.108 18.092 ( -4.654 7.643 -1.489) 9.071 18.300 ( 5.267 10.311 0.749) 11.602 18.345 ( 20.711 1.631 -1.837) 20.856 26.778 ( 0.218 -0.234 0.241) 0.401 26.949 ( 13.608 8.372 -1.013) 16.009 28.048 ( 0.404 0.383 -0.058) 0.560 28.338 ( 18.349 10.331 -2.310) 21.184 29.293 ( 13.143 7.527 4.708) 15.861 29.370 ( 0.994 0.477 -6.526) 6.618 36.652 ( -13.407 -7.894 3.859) 16.029 36.694 ( -10.771 -6.111 -1.513) 12.476 ======================= Grid point 807 (291/294) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 0.624 -1.364 -0.643) 1.631 1.616 ( 21.042 10.351 6.383) 24.303 2.024 ( 4.277 6.071 -5.303) 9.125 2.212 ( 24.794 13.696 3.272) 28.513 2.420 ( 14.328 7.198 -1.812) 16.137 2.864 ( -1.178 -0.467 -1.443) 1.920 3.898 ( 5.814 -1.922 -0.774) 6.172 4.006 ( 4.243 7.406 0.121) 8.536 4.464 ( 8.560 7.756 3.480) 12.064 4.762 ( 14.010 6.079 -1.099) 15.312 6.501 ( -7.163 -1.494 -1.061) 7.393 6.720 ( -6.888 -2.790 -0.280) 7.437 6.943 ( 17.010 5.531 -4.159) 18.363 7.651 ( -11.178 -10.004 -0.548) 15.011 8.114 ( 1.515 5.311 1.196) 5.651 8.464 ( 5.990 2.651 1.503) 6.721 11.442 ( 1.094 0.778 0.133) 1.349 11.876 ( -6.148 -0.421 -0.885) 6.225 12.094 ( -4.744 -9.217 0.201) 10.368 12.379 ( -2.067 5.133 1.817) 5.824 12.505 ( 9.196 0.683 -1.298) 9.312 12.873 ( -3.484 -0.492 1.533) 3.838 14.407 ( -11.937 -6.046 0.201) 13.383 14.488 ( -2.055 -1.840 1.107) 2.972 17.945 ( -0.438 -9.947 0.151) 9.957 18.113 ( 0.013 7.738 -1.227) 7.835 18.485 ( 3.874 9.609 0.792) 10.391 18.745 ( 18.702 5.438 -3.399) 19.771 26.784 ( 0.780 -0.421 0.417) 0.979 27.340 ( 17.825 12.596 -2.890) 22.016 28.062 ( 1.458 -0.616 0.062) 1.584 28.631 ( 7.863 4.506 -1.085) 9.128 29.142 ( -9.876 -5.751 0.524) 11.441 30.046 ( 37.491 21.667 -1.465) 43.327 36.304 ( -16.504 -9.933 9.213) 21.352 36.374 ( -15.106 -8.358 -6.688) 18.514 ======================= Grid point 819 (292/294) ======================= q-point: ( 0.50 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -0.240 -11.155 4.365) 11.981 1.178 ( -0.674 19.753 0.499) 19.771 1.449 ( 0.493 38.840 0.895) 38.853 1.940 ( 0.802 2.409 0.006) 2.540 2.101 ( -0.609 14.768 -1.949) 14.909 3.118 ( 0.074 -19.328 1.071) 19.357 3.836 ( 2.843 2.075 -0.073) 3.520 3.876 ( -3.016 5.981 -2.176) 7.043 4.281 ( 0.746 7.630 -1.021) 7.734 4.433 ( -0.560 16.268 2.083) 16.410 6.532 ( -0.423 0.198 -0.147) 0.489 6.639 ( 0.529 10.378 0.091) 10.392 6.952 ( -0.048 -12.306 0.240) 12.308 7.898 ( 0.404 -9.927 2.556) 10.259 8.042 ( -2.300 3.070 0.456) 3.863 8.240 ( 1.680 16.320 -4.667) 17.057 11.430 ( 0.002 0.018 -0.125) 0.126 11.980 ( -0.555 -4.596 0.777) 4.694 12.154 ( 1.737 7.799 -1.511) 8.132 12.317 ( -1.632 -1.886 0.007) 2.494 12.395 ( 0.521 2.741 0.129) 2.793 12.953 ( -0.055 -2.820 -0.076) 2.822 14.497 ( -0.008 -1.013 0.070) 1.015 14.792 ( -0.121 -19.065 -0.205) 19.067 18.015 ( 6.133 -1.485 -0.164) 6.313 18.078 ( -6.218 -0.910 1.390) 6.436 18.300 ( 2.815 9.924 0.592) 10.332 18.343 ( -2.432 17.586 -1.389) 17.808 26.780 ( 0.157 0.182 -0.283) 0.371 26.937 ( -0.206 14.935 1.277) 14.990 28.047 ( 0.346 0.540 0.073) 0.646 28.336 ( -0.264 21.016 -1.797) 21.095 29.295 ( -0.036 15.160 4.548) 15.828 29.368 ( -0.047 1.207 -6.222) 6.339 36.666 ( -0.092 -13.304 2.354) 13.511 36.687 ( 0.072 -14.124 -1.340) 14.188 ======================= Grid point 820 (293/294) ======================= q-point: ( 0.58 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -2.867 -3.738 2.379) 5.277 1.540 ( 12.839 23.868 2.180) 27.190 1.953 ( 11.301 11.723 -2.464) 16.469 2.046 ( 9.402 22.199 -2.642) 24.253 2.328 ( 7.736 13.797 2.276) 15.980 2.890 ( -5.151 -9.350 -0.135) 10.676 3.866 ( -1.797 4.346 -0.075) 4.704 3.968 ( 6.641 4.378 0.097) 7.955 4.435 ( 7.518 10.070 -2.193) 12.757 4.667 ( 6.468 13.501 1.832) 15.082 6.546 ( 2.861 -0.760 -2.019) 3.583 6.708 ( -7.396 -8.108 -0.485) 10.985 6.870 ( 4.563 9.695 1.770) 10.861 7.746 ( -8.295 -9.599 3.010) 13.039 8.078 ( 4.990 0.925 1.391) 5.262 8.433 ( 4.192 9.594 -2.801) 10.838 11.437 ( 0.575 0.884 -0.019) 1.054 11.894 ( -1.840 -6.709 0.153) 6.959 12.192 ( -9.259 -0.450 -1.016) 9.325 12.327 ( 10.071 0.801 -1.280) 10.184 12.464 ( 0.109 6.269 1.735) 6.506 12.891 ( -1.983 -4.825 0.413) 5.233 14.478 ( -0.442 -2.652 0.406) 2.719 14.510 ( -8.878 -13.843 -0.107) 16.445 17.941 ( -5.960 0.075 0.238) 5.965 18.255 ( 5.074 -0.202 0.330) 5.089 18.280 ( 6.698 6.227 -5.796) 10.827 18.665 ( 7.727 17.811 3.837) 19.790 26.816 ( 0.871 3.009 0.278) 3.145 27.169 ( 9.510 13.639 -0.392) 16.632 28.072 ( 0.421 2.619 -0.850) 2.785 28.575 ( 6.055 10.175 0.530) 11.852 29.206 ( -5.390 -9.444 0.441) 10.883 29.813 ( 20.882 36.032 0.270) 41.646 36.431 ( -9.404 -15.856 3.031) 18.682 36.446 ( -8.469 -15.106 -2.897) 17.559 ======================= Grid point 976 (294/294) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -0.000 -0.000 0.000) 0.000 0.957 ( -0.000 -0.000 0.000) 0.000 1.073 ( -0.000 -0.000 0.000) 0.000 1.915 ( 0.000 0.000 -0.000) 0.000 1.915 ( 0.000 0.000 -0.000) 0.000 3.395 ( -0.000 -0.000 0.000) 0.000 3.814 ( -0.000 -0.000 0.000) 0.000 3.814 ( -0.000 -0.000 0.000) 0.000 4.200 ( -0.000 -0.000 0.000) 0.000 4.200 ( -0.000 -0.000 0.000) 0.000 6.528 ( -0.000 -0.000 0.000) 0.000 6.528 ( -0.000 -0.000 0.000) 0.000 7.109 ( -0.000 -0.000 0.000) 0.000 8.009 ( -0.000 -0.000 0.000) 0.000 8.010 ( -0.000 -0.000 0.000) 0.000 8.010 ( -0.000 -0.000 0.000) 0.000 11.432 ( -0.000 -0.000 0.000) 0.000 12.033 ( -0.000 -0.000 0.000) 0.000 12.033 ( -0.000 -0.000 0.000) 0.000 12.361 ( -0.000 -0.000 0.000) 0.000 12.361 ( -0.000 -0.000 0.000) 0.000 12.980 ( -0.000 -0.000 0.000) 0.000 14.508 ( -0.000 -0.000 0.000) 0.000 15.028 ( -0.000 -0.000 0.000) 0.000 18.049 ( -0.000 -0.000 0.000) 0.000 18.049 ( -0.000 -0.000 0.000) 0.000 18.170 ( -0.000 -0.000 0.000) 0.000 18.170 ( -0.000 -0.000 0.000) 0.000 26.778 ( -0.000 -0.000 0.000) 0.000 26.778 ( -0.000 -0.000 0.000) 0.000 28.042 ( -0.000 -0.000 0.000) 0.000 28.042 ( -0.000 -0.000 0.000) 0.000 29.095 ( -0.000 -0.000 0.000) 0.000 29.439 ( -0.000 -0.000 0.000) 0.000 36.800 ( -0.000 -0.000 0.000) 0.000 36.851 ( -0.000 -0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/62208 10.0 59.836 59.836 114.700 -0.000 -0.000 -0.000 3/62208 20.0 22.497 22.497 9.008 0.000 -0.000 -0.000 3/62208 30.0 13.271 13.271 4.140 0.000 -0.000 -0.000 3/62208 40.0 9.516 9.516 2.679 0.000 -0.000 -0.000 3/62208 50.0 7.561 7.561 1.981 0.000 -0.000 -0.000 3/62208 60.0 6.381 6.381 1.578 0.000 -0.000 -0.000 3/62208 70.0 5.585 5.585 1.319 0.000 -0.000 -0.000 3/62208 80.0 5.002 5.002 1.140 0.000 -0.000 -0.000 3/62208 90.0 4.548 4.548 1.007 0.000 -0.000 -0.000 3/62208 100.0 4.179 4.179 0.905 0.000 -0.000 -0.000 3/62208 110.0 3.871 3.871 0.824 0.000 -0.000 -0.000 3/62208 120.0 3.609 3.609 0.757 0.000 -0.000 -0.000 3/62208 130.0 3.381 3.381 0.701 0.000 -0.000 -0.000 3/62208 140.0 3.183 3.183 0.654 0.000 -0.000 -0.000 3/62208 150.0 3.007 3.007 0.613 0.000 -0.000 -0.000 3/62208 160.0 2.852 2.852 0.578 0.000 -0.000 -0.000 3/62208 170.0 2.712 2.712 0.547 0.000 -0.000 -0.000 3/62208 180.0 2.587 2.587 0.520 0.000 -0.000 -0.000 3/62208 190.0 2.473 2.473 0.496 0.000 -0.000 -0.000 3/62208 200.0 2.370 2.370 0.475 0.000 -0.000 -0.000 3/62208 210.0 2.276 2.276 0.456 0.000 -0.000 -0.000 3/62208 220.0 2.191 2.191 0.439 0.000 -0.000 -0.000 3/62208 230.0 2.112 2.112 0.424 0.000 -0.000 -0.000 3/62208 240.0 2.039 2.039 0.411 0.000 -0.000 -0.000 3/62208 250.0 1.972 1.972 0.399 0.000 -0.000 -0.000 3/62208 260.0 1.910 1.910 0.388 0.000 -0.000 -0.000 3/62208 270.0 1.852 1.852 0.379 0.000 -0.000 -0.000 3/62208 280.0 1.798 1.798 0.370 0.000 -0.000 -0.000 3/62208 290.0 1.748 1.748 0.362 0.000 -0.000 -0.000 3/62208 300.0 1.700 1.700 0.355 0.000 -0.000 -0.000 3/62208 310.0 1.656 1.656 0.349 0.000 -0.000 -0.000 3/62208 320.0 1.614 1.614 0.343 0.000 -0.000 -0.000 3/62208 330.0 1.575 1.575 0.337 0.000 -0.000 -0.000 3/62208 340.0 1.537 1.537 0.332 0.000 -0.000 -0.000 3/62208 350.0 1.502 1.502 0.328 0.000 -0.000 -0.000 3/62208 360.0 1.468 1.468 0.323 0.000 -0.000 -0.000 3/62208 370.0 1.436 1.436 0.319 0.000 -0.000 -0.000 3/62208 380.0 1.406 1.406 0.315 0.000 -0.000 -0.000 3/62208 390.0 1.377 1.377 0.312 0.000 -0.000 -0.000 3/62208 400.0 1.349 1.349 0.308 0.000 -0.000 -0.000 3/62208 410.0 1.323 1.323 0.305 0.000 -0.000 -0.000 3/62208 420.0 1.297 1.297 0.302 0.000 -0.000 -0.000 3/62208 430.0 1.273 1.273 0.299 0.000 -0.000 -0.000 3/62208 440.0 1.249 1.249 0.296 0.000 -0.000 -0.000 3/62208 450.0 1.227 1.227 0.293 0.000 -0.000 -0.000 3/62208 460.0 1.205 1.205 0.290 0.000 -0.000 -0.000 3/62208 470.0 1.184 1.184 0.287 0.000 -0.000 -0.000 3/62208 480.0 1.164 1.164 0.285 0.000 -0.000 -0.000 3/62208 490.0 1.145 1.145 0.282 0.000 -0.000 -0.000 3/62208 500.0 1.126 1.126 0.280 0.000 -0.000 -0.000 3/62208 510.0 1.108 1.108 0.277 0.000 -0.000 -0.000 3/62208 520.0 1.090 1.090 0.275 0.000 -0.000 -0.000 3/62208 530.0 1.073 1.073 0.272 0.000 -0.000 -0.000 3/62208 540.0 1.057 1.057 0.270 0.000 -0.000 -0.000 3/62208 550.0 1.041 1.041 0.268 0.000 -0.000 -0.000 3/62208 560.0 1.025 1.025 0.265 0.000 -0.000 -0.000 3/62208 570.0 1.010 1.010 0.263 0.000 -0.000 -0.000 3/62208 580.0 0.995 0.995 0.261 0.000 -0.000 -0.000 3/62208 590.0 0.981 0.981 0.258 0.000 -0.000 -0.000 3/62208 600.0 0.967 0.967 0.256 0.000 -0.000 -0.000 3/62208 610.0 0.954 0.954 0.254 0.000 -0.000 -0.000 3/62208 620.0 0.941 0.941 0.252 0.000 -0.000 -0.000 3/62208 630.0 0.928 0.928 0.250 0.000 -0.000 -0.000 3/62208 640.0 0.916 0.916 0.247 0.000 -0.000 -0.000 3/62208 650.0 0.904 0.904 0.245 0.000 -0.000 -0.000 3/62208 660.0 0.892 0.892 0.243 0.000 -0.000 -0.000 3/62208 670.0 0.881 0.881 0.241 0.000 -0.000 -0.000 3/62208 680.0 0.869 0.869 0.239 0.000 -0.000 -0.000 3/62208 690.0 0.859 0.859 0.237 0.000 -0.000 -0.000 3/62208 700.0 0.848 0.848 0.235 0.000 -0.000 -0.000 3/62208 710.0 0.838 0.838 0.233 0.000 -0.000 -0.000 3/62208 720.0 0.827 0.827 0.231 0.000 -0.000 -0.000 3/62208 730.0 0.817 0.817 0.229 0.000 -0.000 -0.000 3/62208 740.0 0.808 0.808 0.227 0.000 -0.000 -0.000 3/62208 750.0 0.798 0.798 0.226 0.000 -0.000 -0.000 3/62208 760.0 0.789 0.789 0.224 0.000 -0.000 -0.000 3/62208 770.0 0.780 0.780 0.222 0.000 -0.000 -0.000 3/62208 780.0 0.771 0.771 0.220 0.000 -0.000 -0.000 3/62208 790.0 0.763 0.763 0.218 0.000 -0.000 -0.000 3/62208 800.0 0.754 0.754 0.216 0.000 -0.000 -0.000 3/62208 810.0 0.746 0.746 0.215 0.000 -0.000 -0.000 3/62208 820.0 0.738 0.738 0.213 0.000 -0.000 -0.000 3/62208 830.0 0.730 0.730 0.211 0.000 -0.000 -0.000 3/62208 840.0 0.722 0.722 0.210 0.000 -0.000 -0.000 3/62208 850.0 0.714 0.714 0.208 0.000 -0.000 -0.000 3/62208 860.0 0.707 0.707 0.206 0.000 -0.000 -0.000 3/62208 870.0 0.700 0.700 0.205 0.000 -0.000 -0.000 3/62208 880.0 0.693 0.693 0.203 0.000 -0.000 -0.000 3/62208 890.0 0.686 0.686 0.201 0.000 -0.000 -0.000 3/62208 900.0 0.679 0.679 0.200 0.000 -0.000 -0.000 3/62208 910.0 0.672 0.672 0.198 0.000 -0.000 -0.000 3/62208 920.0 0.665 0.665 0.197 0.000 -0.000 -0.000 3/62208 930.0 0.659 0.659 0.195 0.000 -0.000 -0.000 3/62208 940.0 0.652 0.652 0.194 0.000 -0.000 -0.000 3/62208 950.0 0.646 0.646 0.192 0.000 -0.000 -0.000 3/62208 960.0 0.640 0.640 0.191 0.000 -0.000 -0.000 3/62208 970.0 0.634 0.634 0.189 0.000 -0.000 -0.000 3/62208 980.0 0.628 0.628 0.188 0.000 -0.000 -0.000 3/62208 990.0 0.622 0.622 0.187 0.000 -0.000 -0.000 3/62208 1000.0 0.617 0.617 0.185 0.000 -0.000 -0.000 3/62208 Thermal conductivity related properties were written into "kappa-m121212.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:04:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|