----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:54:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 12 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.855908360392126 0.000000000000000 0.000000000000000 b 0.000000000000000 3.858627490000000 0.000000000000000 c -2.220805563160468 0.000000000000000 20.983177816537136 Atomic positions (fractional): *1 S 0.39017336804329 0.75000000000000 0.15988744706940 32.065 *2 S 0.12864449721115 0.25000000000000 0.03616514781503 32.065 3 S 0.87135550278885 0.75000000000000 0.96383485218497 32.065 *4 S 0.06125238139368 0.25000000000000 0.85861136976306 32.065 5 S 0.93874761860632 0.75000000000000 0.14138863023693 32.065 *6 S 0.61534128899245 0.25000000000000 0.05993482253265 32.065 7 S 0.38465871100755 0.75000000000000 0.94006517746735 32.065 *8 S 0.27691479462229 0.25000000000000 0.38635796151738 32.065 9 S 0.72308520537771 0.75000000000000 0.61364203848262 32.065 *10 S 0.16184543719441 0.25000000000000 0.21018870352329 32.065 *11 S 0.03569545858966 0.75000000000000 0.31570881581179 32.065 12 S 0.96430454141034 0.25000000000000 0.68429118418821 32.065 *13 S 0.70907576607486 0.75000000000000 0.21663989244294 32.065 14 S 0.29092423392514 0.25000000000000 0.78336010755706 32.065 *15 S 0.51562619720362 0.75000000000000 0.71030965928813 32.065 16 S 0.48437380279638 0.25000000000000 0.28969034071187 32.065 *17 S 0.20232578574816 0.75000000000000 0.65125261212134 32.065 18 S 0.79767421425184 0.25000000000000 0.34874738787866 32.065 *19 S 0.57868317709632 0.75000000000000 0.44756836303269 32.065 20 S 0.42131682290368 0.25000000000000 0.55243163696731 32.065 *21 S 0.87579894177518 0.25000000000000 0.50839213086157 32.065 22 S 0.60982663195671 0.25000000000000 0.84011255293061 32.065 23 S 0.12420105822482 0.75000000000000 0.49160786913843 32.065 24 S 0.83815456280559 0.75000000000000 0.78981129647671 32.065 *25 In 0.16486504407704 0.75000000000000 0.11303495751520 114.818 *26 In 0.65070912671178 0.25000000000000 0.52800317757900 114.818 27 In 0.34929087328822 0.75000000000000 0.47199682242100 114.818 *28 In 0.54473610628063 0.25000000000000 0.17351906430075 114.818 29 In 0.45526389371937 0.75000000000000 0.82648093569925 114.818 *30 In 0.35349576338233 0.25000000000000 0.66690944939531 114.818 31 In 0.64650423661767 0.75000000000000 0.33309055060469 114.818 *32 In 0.24150593642020 0.25000000000000 0.94107470995917 114.818 33 In 0.75849406357980 0.75000000000000 0.05892529004083 114.818 34 In 0.83513495592297 0.25000000000000 0.88696504248480 114.818 *35 Tb 0.28571491658158 0.75000000000000 0.28490668854536 158.925 36 Tb 0.71428508341842 0.25000000000000 0.71509331145464 158.925 *37 Tb 0.08743496770911 0.75000000000000 0.76492329306564 158.925 38 Tb 0.91256503229089 0.25000000000000 0.23507670693436 158.925 *39 Tb 0.97248151348203 0.75000000000000 0.58816921768578 158.925 40 Tb 0.02751848651797 0.25000000000000 0.41183078231422 158.925 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.855908360392126 0.000000000000000 0.000000000000000 b 0.000000000000000 3.858627490000000 0.000000000000000 c -2.220805563160468 0.000000000000000 20.983177816537136 Atomic positions (fractional): *1 S 0.39017336804329 0.75000000000000 0.15988744706940 32.065 > 1 *2 S 0.12864449721115 0.25000000000000 0.03616514781503 32.065 > 2 3 S 0.87135550278885 0.75000000000000 0.96383485218497 32.065 > 3 *4 S 0.06125238139368 0.25000000000000 0.85861136976306 32.065 > 4 5 S 0.93874761860632 0.75000000000000 0.14138863023693 32.065 > 5 *6 S 0.61534128899245 0.25000000000000 0.05993482253265 32.065 > 6 7 S 0.38465871100755 0.75000000000000 0.94006517746735 32.065 > 7 *8 S 0.27691479462229 0.25000000000000 0.38635796151738 32.065 > 8 9 S 0.72308520537771 0.75000000000000 0.61364203848262 32.065 > 9 *10 S 0.16184543719441 0.25000000000000 0.21018870352329 32.065 > 10 *11 S 0.03569545858966 0.75000000000000 0.31570881581179 32.065 > 11 12 S 0.96430454141034 0.25000000000000 0.68429118418821 32.065 > 12 *13 S 0.70907576607486 0.75000000000000 0.21663989244294 32.065 > 13 14 S 0.29092423392514 0.25000000000000 0.78336010755706 32.065 > 14 *15 S 0.51562619720362 0.75000000000000 0.71030965928813 32.065 > 15 16 S 0.48437380279638 0.25000000000000 0.28969034071187 32.065 > 16 *17 S 0.20232578574816 0.75000000000000 0.65125261212134 32.065 > 17 18 S 0.79767421425184 0.25000000000000 0.34874738787866 32.065 > 18 *19 S 0.57868317709632 0.75000000000000 0.44756836303269 32.065 > 19 20 S 0.42131682290368 0.25000000000000 0.55243163696731 32.065 > 20 *21 S 0.87579894177518 0.25000000000000 0.50839213086157 32.065 > 21 22 S 0.60982663195671 0.25000000000000 0.84011255293061 32.065 > 22 23 S 0.12420105822482 0.75000000000000 0.49160786913843 32.065 > 23 24 S 0.83815456280559 0.75000000000000 0.78981129647671 32.065 > 24 *25 In 0.16486504407704 0.75000000000000 0.11303495751520 114.818 > 25 *26 In 0.65070912671178 0.25000000000000 0.52800317757900 114.818 > 26 27 In 0.34929087328822 0.75000000000000 0.47199682242100 114.818 > 27 *28 In 0.54473610628063 0.25000000000000 0.17351906430075 114.818 > 28 29 In 0.45526389371937 0.75000000000000 0.82648093569925 114.818 > 29 *30 In 0.35349576338233 0.25000000000000 0.66690944939531 114.818 > 30 31 In 0.64650423661767 0.75000000000000 0.33309055060469 114.818 > 31 *32 In 0.24150593642020 0.25000000000000 0.94107470995917 114.818 > 32 33 In 0.75849406357980 0.75000000000000 0.05892529004083 114.818 > 33 34 In 0.83513495592297 0.25000000000000 0.88696504248480 114.818 > 34 *35 Tb 0.28571491658158 0.75000000000000 0.28490668854536 158.925 > 35 36 Tb 0.71428508341842 0.25000000000000 0.71509331145464 158.925 > 36 *37 Tb 0.08743496770911 0.75000000000000 0.76492329306564 158.925 > 37 38 Tb 0.91256503229089 0.25000000000000 0.23507670693436 158.925 > 38 *39 Tb 0.97248151348203 0.75000000000000 0.58816921768578 158.925 > 39 40 Tb 0.02751848651797 0.25000000000000 0.41183078231422 158.925 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.855908360392126 0.000000000000000 0.000000000000000 b 0.000000000000000 11.575882470000000 0.000000000000000 c -2.220805563160468 0.000000000000000 20.983177816537136 Atomic positions (fractional): *1 S 0.39017336804329 0.25000000000000 0.15988744706940 32.065 > 1 2 S 0.39017336804329 0.58333333333333 0.15988744706940 32.065 > 1 3 S 0.39017336804329 0.91666666666667 0.15988744706940 32.065 > 1 *4 S 0.12864449721115 0.08333333333333 0.03616514781503 32.065 > 2 5 S 0.12864449721115 0.41666666666667 0.03616514781503 32.065 > 2 6 S 0.12864449721115 0.75000000000000 0.03616514781503 32.065 > 2 7 S 0.87135550278885 0.25000000000000 0.96383485218497 32.065 > 3 8 S 0.87135550278885 0.58333333333333 0.96383485218497 32.065 > 3 9 S 0.87135550278885 0.91666666666667 0.96383485218497 32.065 > 3 *10 S 0.06125238139368 0.08333333333333 0.85861136976306 32.065 > 4 11 S 0.06125238139368 0.41666666666667 0.85861136976306 32.065 > 4 12 S 0.06125238139368 0.75000000000000 0.85861136976306 32.065 > 4 13 S 0.93874761860632 0.25000000000000 0.14138863023693 32.065 > 5 14 S 0.93874761860632 0.58333333333333 0.14138863023693 32.065 > 5 15 S 0.93874761860632 0.91666666666667 0.14138863023693 32.065 > 5 *16 S 0.61534128899245 0.08333333333333 0.05993482253265 32.065 > 6 17 S 0.61534128899245 0.41666666666667 0.05993482253265 32.065 > 6 18 S 0.61534128899245 0.75000000000000 0.05993482253265 32.065 > 6 19 S 0.38465871100755 0.25000000000000 0.94006517746735 32.065 > 7 20 S 0.38465871100755 0.58333333333333 0.94006517746735 32.065 > 7 21 S 0.38465871100755 0.91666666666667 0.94006517746735 32.065 > 7 *22 S 0.27691479462229 0.08333333333333 0.38635796151738 32.065 > 8 23 S 0.27691479462229 0.41666666666667 0.38635796151738 32.065 > 8 24 S 0.27691479462229 0.75000000000000 0.38635796151738 32.065 > 8 25 S 0.72308520537771 0.25000000000000 0.61364203848262 32.065 > 9 26 S 0.72308520537771 0.58333333333333 0.61364203848262 32.065 > 9 27 S 0.72308520537771 0.91666666666667 0.61364203848262 32.065 > 9 *28 S 0.16184543719441 0.08333333333333 0.21018870352329 32.065 > 10 29 S 0.16184543719441 0.41666666666667 0.21018870352329 32.065 > 10 30 S 0.16184543719441 0.75000000000000 0.21018870352329 32.065 > 10 *31 S 0.03569545858966 0.25000000000000 0.31570881581179 32.065 > 11 32 S 0.03569545858966 0.58333333333333 0.31570881581179 32.065 > 11 33 S 0.03569545858966 0.91666666666667 0.31570881581179 32.065 > 11 34 S 0.96430454141034 0.08333333333333 0.68429118418821 32.065 > 12 35 S 0.96430454141034 0.41666666666667 0.68429118418821 32.065 > 12 36 S 0.96430454141034 0.75000000000000 0.68429118418821 32.065 > 12 *37 S 0.70907576607486 0.25000000000000 0.21663989244294 32.065 > 13 38 S 0.70907576607486 0.58333333333333 0.21663989244294 32.065 > 13 39 S 0.70907576607486 0.91666666666667 0.21663989244294 32.065 > 13 40 S 0.29092423392514 0.08333333333333 0.78336010755706 32.065 > 14 41 S 0.29092423392514 0.41666666666667 0.78336010755706 32.065 > 14 42 S 0.29092423392514 0.75000000000000 0.78336010755706 32.065 > 14 *43 S 0.51562619720362 0.25000000000000 0.71030965928813 32.065 > 15 44 S 0.51562619720362 0.58333333333333 0.71030965928813 32.065 > 15 45 S 0.51562619720362 0.91666666666667 0.71030965928813 32.065 > 15 46 S 0.48437380279638 0.08333333333333 0.28969034071187 32.065 > 16 47 S 0.48437380279638 0.41666666666667 0.28969034071187 32.065 > 16 48 S 0.48437380279638 0.75000000000000 0.28969034071187 32.065 > 16 *49 S 0.20232578574816 0.25000000000000 0.65125261212134 32.065 > 17 50 S 0.20232578574816 0.58333333333333 0.65125261212134 32.065 > 17 51 S 0.20232578574816 0.91666666666667 0.65125261212134 32.065 > 17 52 S 0.79767421425184 0.08333333333333 0.34874738787866 32.065 > 18 53 S 0.79767421425184 0.41666666666667 0.34874738787866 32.065 > 18 54 S 0.79767421425184 0.75000000000000 0.34874738787866 32.065 > 18 *55 S 0.57868317709632 0.25000000000000 0.44756836303269 32.065 > 19 56 S 0.57868317709632 0.58333333333333 0.44756836303269 32.065 > 19 57 S 0.57868317709632 0.91666666666667 0.44756836303269 32.065 > 19 58 S 0.42131682290368 0.08333333333333 0.55243163696731 32.065 > 20 59 S 0.42131682290368 0.41666666666667 0.55243163696731 32.065 > 20 60 S 0.42131682290368 0.75000000000000 0.55243163696731 32.065 > 20 *61 S 0.87579894177518 0.08333333333333 0.50839213086157 32.065 > 21 62 S 0.87579894177518 0.41666666666667 0.50839213086157 32.065 > 21 63 S 0.87579894177518 0.75000000000000 0.50839213086157 32.065 > 21 64 S 0.60982663195671 0.08333333333333 0.84011255293061 32.065 > 22 65 S 0.60982663195671 0.41666666666667 0.84011255293061 32.065 > 22 66 S 0.60982663195671 0.75000000000000 0.84011255293061 32.065 > 22 67 S 0.12420105822482 0.25000000000000 0.49160786913843 32.065 > 23 68 S 0.12420105822482 0.58333333333333 0.49160786913843 32.065 > 23 69 S 0.12420105822482 0.91666666666667 0.49160786913843 32.065 > 23 70 S 0.83815456280559 0.25000000000000 0.78981129647671 32.065 > 24 71 S 0.83815456280559 0.58333333333333 0.78981129647671 32.065 > 24 72 S 0.83815456280559 0.91666666666667 0.78981129647671 32.065 > 24 *73 In 0.16486504407704 0.25000000000000 0.11303495751520 114.818 > 25 74 In 0.16486504407704 0.58333333333333 0.11303495751520 114.818 > 25 75 In 0.16486504407704 0.91666666666667 0.11303495751520 114.818 > 25 *76 In 0.65070912671178 0.08333333333333 0.52800317757900 114.818 > 26 77 In 0.65070912671178 0.41666666666667 0.52800317757900 114.818 > 26 78 In 0.65070912671178 0.75000000000000 0.52800317757900 114.818 > 26 79 In 0.34929087328822 0.25000000000000 0.47199682242100 114.818 > 27 80 In 0.34929087328822 0.58333333333333 0.47199682242100 114.818 > 27 81 In 0.34929087328822 0.91666666666667 0.47199682242100 114.818 > 27 *82 In 0.54473610628063 0.08333333333333 0.17351906430075 114.818 > 28 83 In 0.54473610628063 0.41666666666667 0.17351906430075 114.818 > 28 84 In 0.54473610628063 0.75000000000000 0.17351906430075 114.818 > 28 85 In 0.45526389371937 0.25000000000000 0.82648093569925 114.818 > 29 86 In 0.45526389371937 0.58333333333333 0.82648093569925 114.818 > 29 87 In 0.45526389371937 0.91666666666667 0.82648093569925 114.818 > 29 *88 In 0.35349576338233 0.08333333333333 0.66690944939531 114.818 > 30 89 In 0.35349576338233 0.41666666666667 0.66690944939531 114.818 > 30 90 In 0.35349576338233 0.75000000000000 0.66690944939531 114.818 > 30 91 In 0.64650423661767 0.25000000000000 0.33309055060469 114.818 > 31 92 In 0.64650423661767 0.58333333333333 0.33309055060469 114.818 > 31 93 In 0.64650423661767 0.91666666666667 0.33309055060469 114.818 > 31 *94 In 0.24150593642020 0.08333333333333 0.94107470995917 114.818 > 32 95 In 0.24150593642020 0.41666666666667 0.94107470995917 114.818 > 32 96 In 0.24150593642020 0.75000000000000 0.94107470995917 114.818 > 32 97 In 0.75849406357980 0.25000000000000 0.05892529004083 114.818 > 33 98 In 0.75849406357980 0.58333333333333 0.05892529004083 114.818 > 33 99 In 0.75849406357980 0.91666666666667 0.05892529004083 114.818 > 33 100 In 0.83513495592297 0.08333333333333 0.88696504248480 114.818 > 34 101 In 0.83513495592297 0.41666666666667 0.88696504248480 114.818 > 34 102 In 0.83513495592297 0.75000000000000 0.88696504248480 114.818 > 34 *103 Tb 0.28571491658158 0.25000000000000 0.28490668854536 158.925 > 35 104 Tb 0.28571491658158 0.58333333333333 0.28490668854536 158.925 > 35 105 Tb 0.28571491658158 0.91666666666667 0.28490668854536 158.925 > 35 106 Tb 0.71428508341842 0.08333333333333 0.71509331145464 158.925 > 36 107 Tb 0.71428508341842 0.41666666666667 0.71509331145464 158.925 > 36 108 Tb 0.71428508341842 0.75000000000000 0.71509331145464 158.925 > 36 *109 Tb 0.08743496770911 0.25000000000000 0.76492329306564 158.925 > 37 110 Tb 0.08743496770911 0.58333333333333 0.76492329306564 158.925 > 37 111 Tb 0.08743496770911 0.91666666666667 0.76492329306564 158.925 > 37 112 Tb 0.91256503229089 0.08333333333333 0.23507670693436 158.925 > 38 113 Tb 0.91256503229089 0.41666666666667 0.23507670693436 158.925 > 38 114 Tb 0.91256503229089 0.75000000000000 0.23507670693436 158.925 > 38 *115 Tb 0.97248151348203 0.25000000000000 0.58816921768578 158.925 > 39 116 Tb 0.97248151348203 0.58333333333333 0.58816921768578 158.925 > 39 117 Tb 0.97248151348203 0.91666666666667 0.58816921768578 158.925 > 39 118 Tb 0.02751848651797 0.08333333333333 0.41183078231422 158.925 > 40 119 Tb 0.02751848651797 0.41666666666667 0.41183078231422 158.925 > 40 120 Tb 0.02751848651797 0.75000000000000 0.41183078231422 158.925 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.7781128 0.0000000 -0.3252147 0.0000000 8.6341071 0.0000000 -0.3252288 0.0000000 8.1569443 -------------------------- Born effective charges -------------------------- 1 S -2.9875923 0.0000000 -0.1884236 0.0000000 -2.2171225 0.0000000 -0.4047293 0.0000000 -1.7386434 2 S -1.2658631 0.0000000 0.4138511 0.0000000 -2.2606716 0.0000000 0.6942432 0.0000000 -3.3839354 3 S -1.2658631 0.0000000 0.4138511 0.0000000 -2.2606716 0.0000000 0.6942432 0.0000000 -3.3839354 4 S -1.9942469 0.0000000 -0.2627031 0.0000000 -1.7234045 0.0000000 0.0212291 0.0000000 -2.6907120 5 S -1.9942469 0.0000000 -0.2627031 0.0000000 -1.7234045 0.0000000 0.0212291 0.0000000 -2.6907120 6 S -1.8764412 0.0000000 0.5791140 0.0000000 -2.6293204 0.0000000 0.7836485 0.0000000 -2.0334925 7 S -1.8764412 0.0000000 0.5791140 0.0000000 -2.6293204 0.0000000 0.7836485 0.0000000 -2.0334925 8 S -1.9663228 0.0000000 0.0887067 0.0000000 -3.1603410 0.0000000 0.0667337 0.0000000 -2.8599968 9 S -1.9663228 0.0000000 0.0887067 0.0000000 -3.1603410 0.0000000 0.0667337 0.0000000 -2.8599968 10 S -2.4386604 0.0000000 -0.3909910 0.0000000 -3.3061131 0.0000000 -0.5552459 0.0000000 -2.3883025 11 S -2.2498090 0.0000000 -0.1225106 0.0000000 -3.3418034 0.0000000 -0.2328327 0.0000000 -2.6516591 12 S -2.2498090 0.0000000 -0.1225106 0.0000000 -3.3418034 0.0000000 -0.2328327 0.0000000 -2.6516591 13 S -3.2600192 0.0000000 0.0373955 0.0000000 -2.7597097 0.0000000 -0.1625620 0.0000000 -1.8910599 14 S -3.2600192 0.0000000 0.0373955 0.0000000 -2.7597097 0.0000000 -0.1625620 0.0000000 -1.8910599 15 S -2.9257497 0.0000000 -0.3160176 0.0000000 -3.0809923 0.0000000 -0.3459015 0.0000000 -1.5756302 16 S -2.9257497 0.0000000 -0.3160176 0.0000000 -3.0809923 0.0000000 -0.3459015 0.0000000 -1.5756302 17 S -2.6708170 0.0000000 -0.2838245 0.0000000 -2.1257470 0.0000000 -0.1913976 0.0000000 -1.9468681 18 S -2.6708170 0.0000000 -0.2838245 0.0000000 -2.1257470 0.0000000 -0.1913976 0.0000000 -1.9468681 19 S -2.3916152 0.0000000 0.2299869 0.0000000 -2.2509932 0.0000000 0.1997130 0.0000000 -2.7855354 20 S -2.3916152 0.0000000 0.2299869 0.0000000 -2.2509932 0.0000000 0.1997130 0.0000000 -2.7855354 21 S -2.4611404 0.0000000 0.2606561 0.0000000 -2.1610242 0.0000000 0.4435785 0.0000000 -2.3596641 22 S -2.9875923 0.0000000 -0.1884236 0.0000000 -2.2171225 0.0000000 -0.4047293 0.0000000 -1.7386434 23 S -2.4611404 0.0000000 0.2606561 0.0000000 -2.1610242 0.0000000 0.4435785 0.0000000 -2.3596641 24 S -2.4386604 0.0000000 -0.3909910 0.0000000 -3.3061131 0.0000000 -0.5552459 0.0000000 -2.3883025 25 In 3.7309926 0.0000000 0.1642734 0.0000000 3.9076686 0.0000000 0.5204050 0.0000000 4.0066326 26 In 3.9583763 0.0000000 0.5014674 0.0000000 4.0861125 0.0000000 0.5192213 0.0000000 3.1860894 27 In 3.9583763 0.0000000 0.5014674 0.0000000 4.0861125 0.0000000 0.5192213 0.0000000 3.1860894 28 In 3.7650457 0.0000000 -0.4714445 0.0000000 4.0579542 0.0000000 -0.0922146 0.0000000 3.1332235 29 In 3.7650457 0.0000000 -0.4714445 0.0000000 4.0579542 0.0000000 -0.0922146 0.0000000 3.1332235 30 In 3.4358027 0.0000000 -0.4200534 0.0000000 4.0267317 0.0000000 -0.2157958 0.0000000 3.7413091 31 In 3.4358027 0.0000000 -0.4200534 0.0000000 4.0267317 0.0000000 -0.2157958 0.0000000 3.7413091 32 In 2.7076470 0.0000000 0.2642477 0.0000000 2.8138460 0.0000000 -1.0153132 0.0000000 3.7721632 33 In 2.7076470 0.0000000 0.2642477 0.0000000 2.8138460 0.0000000 -1.0153132 0.0000000 3.7721632 34 In 3.7309926 0.0000000 0.1642734 0.0000000 3.9076686 0.0000000 0.5204050 0.0000000 4.0066326 35 Tb 3.8787529 0.0000000 -0.1708709 0.0000000 4.5064100 0.0000000 0.1397641 0.0000000 3.4086730 36 Tb 3.8787529 0.0000000 -0.1708709 0.0000000 4.5064100 0.0000000 0.1397641 0.0000000 3.4086730 37 Tb 3.5294954 0.0000000 -0.2087719 0.0000000 4.0091400 0.0000000 -0.1145421 0.0000000 3.1620261 38 Tb 3.5294954 0.0000000 -0.2087719 0.0000000 4.0091400 0.0000000 -0.1145421 0.0000000 3.1620261 39 Tb 3.4821646 0.0000000 0.2959123 0.0000000 3.6093797 0.0000000 -0.0580015 0.0000000 3.8953824 40 Tb 3.4821646 0.0000000 0.2959123 0.0000000 3.6093797 0.0000000 -0.0580015 0.0000000 3.8953824 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 21900/21900 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5720 Number of blocks in projector: 5720 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1600 Use submatrix version of eigh solver. (1) Block: 500 / 1600 (2) Block: 250 / 500 (2) 211 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 72 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 461 eigenvectors found. (1) Block: 1000 / 1600 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 211 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 461 eigenvectors found. (1) Block: 1500 / 1600 (2) Block: 250 / 500 (2) 215 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1600 / 1600 (1) 85 eigenvectors found. (1) Complementary block size: 128 (1) Compute compressed projector. (1) Use standard solver. (1) 89 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 840 / 840 (1) 320 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 840 / 840 (1) 320 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 840 / 840 (1) 320 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 250 eigenvectors found. (2) Block: 500 / 500 (2) 250 eigenvectors found. (1) 500 eigenvectors found. (1) Block: 800 / 800 (1) 300 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 250 eigenvectors found. (2) Block: 500 / 500 (2) 250 eigenvectors found. (1) 500 eigenvectors found. (1) Block: 800 / 800 (1) 300 eigenvectors found. Tree of FC basis block matrices: - (5720, 5621), data: False |-- (800, 800), data: False |-- (300, 300), data: True |-- (500, 500), data: False |-- (250, 250), data: True |-- (250, 250), data: True |-- (800, 800), data: False |-- (300, 300), data: True |-- (500, 500), data: False |-- (250, 250), data: True |-- (250, 250), data: True |-- (840, 820), data: False |-- (840, 20), data: (840, 40) @ (40, 20) |-- (340, 320), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True |-- (840, 820), data: False |-- (840, 20), data: (840, 40) @ (40, 20) |-- (340, 320), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True |-- (840, 820), data: False |-- (840, 20), data: (840, 40) @ (40, 20) |-- (340, 320), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True |-- (1600, 1561), data: False |-- (1600, 89), data: (1600, 128) @ (128, 89) |-- (100, 85), data: True |-- (500, 465), data: False |-- (500, 27), data: (500, 62) @ (62, 27) |-- (250, 223), data: True |-- (250, 215), data: True |-- (500, 461), data: False |-- (500, 25), data: (500, 64) @ (64, 25) |-- (250, 211), data: True |-- (250, 225), data: True |-- (500, 461), data: False |-- (500, 33), data: (500, 72) @ (72, 33) |-- (250, 217), data: True |-- (250, 211), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 1200 - Time: 1.983 Solver_block: 200 / 1200 - Time: 1.909 Solver_block: 300 / 1200 - Time: 1.771 Solver_block: 400 / 1200 - Time: 1.944 Solver_block: 500 / 1200 - Time: 1.995 Solver_block: 600 / 1200 - Time: 1.793 Solver_block: 700 / 1200 - Time: 2.468 Solver_block: 800 / 1200 - Time: 1.931 Solver_block: 900 / 1200 - Time: 1.851 Solver_block: 1000 / 1200 - Time: 1.860 Solver_block: 1100 / 1200 - Time: 1.892 Solver_block: 1200 / 1200 - Time: 1.848 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 24.269 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 21900/21900 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5720 Number of blocks in projector: 5720 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1600 Use submatrix version of eigh solver. (1) Block: 500 / 1600 (2) Block: 250 / 500 (2) 211 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 72 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 461 eigenvectors found. (1) Block: 1000 / 1600 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 211 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 461 eigenvectors found. (1) Block: 1500 / 1600 (2) Block: 250 / 500 (2) 215 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1600 / 1600 (1) 85 eigenvectors found. (1) Complementary block size: 128 (1) Compute compressed projector. (1) Use standard solver. (1) 89 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 840 / 840 (1) 320 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 840 / 840 (1) 320 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 840 / 840 (1) 320 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 250 eigenvectors found. (2) Block: 500 / 500 (2) 250 eigenvectors found. (1) 500 eigenvectors found. (1) Block: 800 / 800 (1) 300 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 250 eigenvectors found. (2) Block: 500 / 500 (2) 250 eigenvectors found. (1) 500 eigenvectors found. (1) Block: 800 / 800 (1) 300 eigenvectors found. Tree of FC basis block matrices: - (5720, 5621), data: False |-- (800, 800), data: False |-- (300, 300), data: True |-- (500, 500), data: False |-- (250, 250), data: True |-- (250, 250), data: True |-- (800, 800), data: False |-- (300, 300), data: True |-- (500, 500), data: False |-- (250, 250), data: True |-- (250, 250), data: True |-- (840, 820), data: False |-- (840, 20), data: (840, 40) @ (40, 20) |-- (340, 320), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True |-- (840, 820), data: False |-- (840, 20), data: (840, 40) @ (40, 20) |-- (340, 320), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True |-- (840, 820), data: False |-- (840, 20), data: (840, 40) @ (40, 20) |-- (340, 320), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True |-- (1600, 1561), data: False |-- (1600, 89), data: (1600, 128) @ (128, 89) |-- (100, 85), data: True |-- (500, 465), data: False |-- (500, 27), data: (500, 62) @ (62, 27) |-- (250, 223), data: True |-- (250, 215), data: True |-- (500, 461), data: False |-- (500, 25), data: (500, 64) @ (64, 25) |-- (250, 211), data: True |-- (250, 225), data: True |-- (500, 461), data: False |-- (500, 33), data: (500, 72) @ (72, 33) |-- (250, 217), data: True |-- (250, 211), 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 04:56:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:56:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.855908360392126 0.000000000000000 0.000000000000000 b 0.000000000000000 3.858627490000000 0.000000000000000 c -2.220805563160468 0.000000000000000 20.983177816537136 Atomic positions (fractional): 1 S 0.39017336804329 0.75000000000000 0.15988744706940 32.065 2 S 0.12864449721115 0.25000000000000 0.03616514781503 32.065 3 S 0.87135550278885 0.75000000000000 0.96383485218497 32.065 4 S 0.06125238139368 0.25000000000000 0.85861136976306 32.065 5 S 0.93874761860632 0.75000000000000 0.14138863023693 32.065 6 S 0.61534128899245 0.25000000000000 0.05993482253265 32.065 7 S 0.38465871100755 0.75000000000000 0.94006517746735 32.065 8 S 0.27691479462229 0.25000000000000 0.38635796151738 32.065 9 S 0.72308520537771 0.75000000000000 0.61364203848262 32.065 10 S 0.16184543719441 0.25000000000000 0.21018870352329 32.065 11 S 0.03569545858966 0.75000000000000 0.31570881581179 32.065 12 S 0.96430454141034 0.25000000000000 0.68429118418821 32.065 13 S 0.70907576607486 0.75000000000000 0.21663989244294 32.065 14 S 0.29092423392514 0.25000000000000 0.78336010755706 32.065 15 S 0.51562619720362 0.75000000000000 0.71030965928813 32.065 16 S 0.48437380279638 0.25000000000000 0.28969034071187 32.065 17 S 0.20232578574816 0.75000000000000 0.65125261212134 32.065 18 S 0.79767421425184 0.25000000000000 0.34874738787866 32.065 19 S 0.57868317709632 0.75000000000000 0.44756836303269 32.065 20 S 0.42131682290368 0.25000000000000 0.55243163696731 32.065 21 S 0.87579894177518 0.25000000000000 0.50839213086157 32.065 22 S 0.60982663195671 0.25000000000000 0.84011255293061 32.065 23 S 0.12420105822482 0.75000000000000 0.49160786913843 32.065 24 S 0.83815456280559 0.75000000000000 0.78981129647671 32.065 25 In 0.16486504407704 0.75000000000000 0.11303495751520 114.818 26 In 0.65070912671178 0.25000000000000 0.52800317757900 114.818 27 In 0.34929087328822 0.75000000000000 0.47199682242100 114.818 28 In 0.54473610628063 0.25000000000000 0.17351906430075 114.818 29 In 0.45526389371937 0.75000000000000 0.82648093569925 114.818 30 In 0.35349576338233 0.25000000000000 0.66690944939531 114.818 31 In 0.64650423661767 0.75000000000000 0.33309055060469 114.818 32 In 0.24150593642020 0.25000000000000 0.94107470995917 114.818 33 In 0.75849406357980 0.75000000000000 0.05892529004083 114.818 34 In 0.83513495592297 0.25000000000000 0.88696504248480 114.818 35 Tb 0.28571491658158 0.75000000000000 0.28490668854536 158.925 36 Tb 0.71428508341842 0.25000000000000 0.71509331145464 158.925 37 Tb 0.08743496770911 0.75000000000000 0.76492329306564 158.925 38 Tb 0.91256503229089 0.25000000000000 0.23507670693436 158.925 39 Tb 0.97248151348203 0.75000000000000 0.58816921768578 158.925 40 Tb 0.02751848651797 0.25000000000000 0.41183078231422 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.855908360392126 0.000000000000000 0.000000000000000 b 0.000000000000000 11.575882470000000 0.000000000000000 c -2.220805563160468 0.000000000000000 20.983177816537136 Atomic positions (fractional): 1 S 0.39017336804329 0.25000000000000 0.15988744706940 32.065 > 1 2 S 0.39017336804329 0.58333333333333 0.15988744706940 32.065 > 1 3 S 0.39017336804329 0.91666666666667 0.15988744706940 32.065 > 1 4 S 0.12864449721115 0.08333333333333 0.03616514781503 32.065 > 4 5 S 0.12864449721115 0.41666666666667 0.03616514781503 32.065 > 4 6 S 0.12864449721115 0.75000000000000 0.03616514781503 32.065 > 4 7 S 0.87135550278885 0.25000000000000 0.96383485218497 32.065 > 7 8 S 0.87135550278885 0.58333333333333 0.96383485218497 32.065 > 7 9 S 0.87135550278885 0.91666666666667 0.96383485218497 32.065 > 7 10 S 0.06125238139368 0.08333333333333 0.85861136976306 32.065 > 10 11 S 0.06125238139368 0.41666666666667 0.85861136976306 32.065 > 10 12 S 0.06125238139368 0.75000000000000 0.85861136976306 32.065 > 10 13 S 0.93874761860632 0.25000000000000 0.14138863023693 32.065 > 13 14 S 0.93874761860632 0.58333333333333 0.14138863023693 32.065 > 13 15 S 0.93874761860632 0.91666666666667 0.14138863023693 32.065 > 13 16 S 0.61534128899245 0.08333333333333 0.05993482253265 32.065 > 16 17 S 0.61534128899245 0.41666666666667 0.05993482253265 32.065 > 16 18 S 0.61534128899245 0.75000000000000 0.05993482253265 32.065 > 16 19 S 0.38465871100755 0.25000000000000 0.94006517746735 32.065 > 19 20 S 0.38465871100755 0.58333333333333 0.94006517746735 32.065 > 19 21 S 0.38465871100755 0.91666666666667 0.94006517746735 32.065 > 19 22 S 0.27691479462229 0.08333333333333 0.38635796151738 32.065 > 22 23 S 0.27691479462229 0.41666666666667 0.38635796151738 32.065 > 22 24 S 0.27691479462229 0.75000000000000 0.38635796151738 32.065 > 22 25 S 0.72308520537771 0.25000000000000 0.61364203848262 32.065 > 25 26 S 0.72308520537771 0.58333333333333 0.61364203848262 32.065 > 25 27 S 0.72308520537771 0.91666666666667 0.61364203848262 32.065 > 25 28 S 0.16184543719441 0.08333333333333 0.21018870352329 32.065 > 28 29 S 0.16184543719441 0.41666666666667 0.21018870352329 32.065 > 28 30 S 0.16184543719441 0.75000000000000 0.21018870352329 32.065 > 28 31 S 0.03569545858966 0.25000000000000 0.31570881581179 32.065 > 31 32 S 0.03569545858966 0.58333333333333 0.31570881581179 32.065 > 31 33 S 0.03569545858966 0.91666666666667 0.31570881581179 32.065 > 31 34 S 0.96430454141034 0.08333333333333 0.68429118418821 32.065 > 34 35 S 0.96430454141034 0.41666666666667 0.68429118418821 32.065 > 34 36 S 0.96430454141034 0.75000000000000 0.68429118418821 32.065 > 34 37 S 0.70907576607486 0.25000000000000 0.21663989244294 32.065 > 37 38 S 0.70907576607486 0.58333333333333 0.21663989244294 32.065 > 37 39 S 0.70907576607486 0.91666666666667 0.21663989244294 32.065 > 37 40 S 0.29092423392514 0.08333333333333 0.78336010755706 32.065 > 40 41 S 0.29092423392514 0.41666666666667 0.78336010755706 32.065 > 40 42 S 0.29092423392514 0.75000000000000 0.78336010755706 32.065 > 40 43 S 0.51562619720362 0.25000000000000 0.71030965928813 32.065 > 43 44 S 0.51562619720362 0.58333333333333 0.71030965928813 32.065 > 43 45 S 0.51562619720362 0.91666666666667 0.71030965928813 32.065 > 43 46 S 0.48437380279638 0.08333333333333 0.28969034071187 32.065 > 46 47 S 0.48437380279638 0.41666666666667 0.28969034071187 32.065 > 46 48 S 0.48437380279638 0.75000000000000 0.28969034071187 32.065 > 46 49 S 0.20232578574816 0.25000000000000 0.65125261212134 32.065 > 49 50 S 0.20232578574816 0.58333333333333 0.65125261212134 32.065 > 49 51 S 0.20232578574816 0.91666666666667 0.65125261212134 32.065 > 49 52 S 0.79767421425184 0.08333333333333 0.34874738787866 32.065 > 52 53 S 0.79767421425184 0.41666666666667 0.34874738787866 32.065 > 52 54 S 0.79767421425184 0.75000000000000 0.34874738787866 32.065 > 52 55 S 0.57868317709632 0.25000000000000 0.44756836303269 32.065 > 55 56 S 0.57868317709632 0.58333333333333 0.44756836303269 32.065 > 55 57 S 0.57868317709632 0.91666666666667 0.44756836303269 32.065 > 55 58 S 0.42131682290368 0.08333333333333 0.55243163696731 32.065 > 58 59 S 0.42131682290368 0.41666666666667 0.55243163696731 32.065 > 58 60 S 0.42131682290368 0.75000000000000 0.55243163696731 32.065 > 58 61 S 0.87579894177518 0.08333333333333 0.50839213086157 32.065 > 61 62 S 0.87579894177518 0.41666666666667 0.50839213086157 32.065 > 61 63 S 0.87579894177518 0.75000000000000 0.50839213086157 32.065 > 61 64 S 0.60982663195671 0.08333333333333 0.84011255293061 32.065 > 64 65 S 0.60982663195671 0.41666666666667 0.84011255293061 32.065 > 64 66 S 0.60982663195671 0.75000000000000 0.84011255293061 32.065 > 64 67 S 0.12420105822482 0.25000000000000 0.49160786913843 32.065 > 67 68 S 0.12420105822482 0.58333333333333 0.49160786913843 32.065 > 67 69 S 0.12420105822482 0.91666666666667 0.49160786913843 32.065 > 67 70 S 0.83815456280559 0.25000000000000 0.78981129647671 32.065 > 70 71 S 0.83815456280559 0.58333333333333 0.78981129647671 32.065 > 70 72 S 0.83815456280559 0.91666666666667 0.78981129647671 32.065 > 70 73 In 0.16486504407704 0.25000000000000 0.11303495751520 114.818 > 73 74 In 0.16486504407704 0.58333333333333 0.11303495751520 114.818 > 73 75 In 0.16486504407704 0.91666666666667 0.11303495751520 114.818 > 73 76 In 0.65070912671178 0.08333333333333 0.52800317757900 114.818 > 76 77 In 0.65070912671178 0.41666666666667 0.52800317757900 114.818 > 76 78 In 0.65070912671178 0.75000000000000 0.52800317757900 114.818 > 76 79 In 0.34929087328822 0.25000000000000 0.47199682242100 114.818 > 79 80 In 0.34929087328822 0.58333333333333 0.47199682242100 114.818 > 79 81 In 0.34929087328822 0.91666666666667 0.47199682242100 114.818 > 79 82 In 0.54473610628063 0.08333333333333 0.17351906430075 114.818 > 82 83 In 0.54473610628063 0.41666666666667 0.17351906430075 114.818 > 82 84 In 0.54473610628063 0.75000000000000 0.17351906430075 114.818 > 82 85 In 0.45526389371937 0.25000000000000 0.82648093569925 114.818 > 85 86 In 0.45526389371937 0.58333333333333 0.82648093569925 114.818 > 85 87 In 0.45526389371937 0.91666666666667 0.82648093569925 114.818 > 85 88 In 0.35349576338233 0.08333333333333 0.66690944939531 114.818 > 88 89 In 0.35349576338233 0.41666666666667 0.66690944939531 114.818 > 88 90 In 0.35349576338233 0.75000000000000 0.66690944939531 114.818 > 88 91 In 0.64650423661767 0.25000000000000 0.33309055060469 114.818 > 91 92 In 0.64650423661767 0.58333333333333 0.33309055060469 114.818 > 91 93 In 0.64650423661767 0.91666666666667 0.33309055060469 114.818 > 91 94 In 0.24150593642020 0.08333333333333 0.94107470995917 114.818 > 94 95 In 0.24150593642020 0.41666666666667 0.94107470995917 114.818 > 94 96 In 0.24150593642020 0.75000000000000 0.94107470995917 114.818 > 94 97 In 0.75849406357980 0.25000000000000 0.05892529004083 114.818 > 97 98 In 0.75849406357980 0.58333333333333 0.05892529004083 114.818 > 97 99 In 0.75849406357980 0.91666666666667 0.05892529004083 114.818 > 97 100 In 0.83513495592297 0.08333333333333 0.88696504248480 114.818 > 100 101 In 0.83513495592297 0.41666666666667 0.88696504248480 114.818 > 100 102 In 0.83513495592297 0.75000000000000 0.88696504248480 114.818 > 100 103 Tb 0.28571491658158 0.25000000000000 0.28490668854536 158.925 > 103 104 Tb 0.28571491658158 0.58333333333333 0.28490668854536 158.925 > 103 105 Tb 0.28571491658158 0.91666666666667 0.28490668854536 158.925 > 103 106 Tb 0.71428508341842 0.08333333333333 0.71509331145464 158.925 > 106 107 Tb 0.71428508341842 0.41666666666667 0.71509331145464 158.925 > 106 108 Tb 0.71428508341842 0.75000000000000 0.71509331145464 158.925 > 106 109 Tb 0.08743496770911 0.25000000000000 0.76492329306564 158.925 > 109 110 Tb 0.08743496770911 0.58333333333333 0.76492329306564 158.925 > 109 111 Tb 0.08743496770911 0.91666666666667 0.76492329306564 158.925 > 109 112 Tb 0.91256503229089 0.08333333333333 0.23507670693436 158.925 > 112 113 Tb 0.91256503229089 0.41666666666667 0.23507670693436 158.925 > 112 114 Tb 0.91256503229089 0.75000000000000 0.23507670693436 158.925 > 112 115 Tb 0.97248151348203 0.25000000000000 0.58816921768578 158.925 > 115 116 Tb 0.97248151348203 0.58333333333333 0.58816921768578 158.925 > 115 117 Tb 0.97248151348203 0.91666666666667 0.58816921768578 158.925 > 115 118 Tb 0.02751848651797 0.08333333333333 0.41183078231422 158.925 > 118 119 Tb 0.02751848651797 0.41666666666667 0.41183078231422 158.925 > 118 120 Tb 0.02751848651797 0.75000000000000 0.41183078231422 158.925 > 118 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.7781128 0.0000000 -0.3252147 0.0000000 8.6341071 0.0000000 -0.3252288 0.0000000 8.1569443 -------------------------- Born effective charges -------------------------- 1 S -2.9875923 0.0000000 -0.1884236 0.0000000 -2.2171225 0.0000000 -0.4047293 0.0000000 -1.7386434 2 S -1.2658631 0.0000000 0.4138511 0.0000000 -2.2606716 0.0000000 0.6942432 0.0000000 -3.3839354 3 S -1.2658631 0.0000000 0.4138511 0.0000000 -2.2606716 0.0000000 0.6942432 0.0000000 -3.3839354 4 S -1.9942469 0.0000000 -0.2627031 0.0000000 -1.7234045 0.0000000 0.0212291 0.0000000 -2.6907120 5 S -1.9942469 0.0000000 -0.2627031 0.0000000 -1.7234045 0.0000000 0.0212291 0.0000000 -2.6907120 6 S -1.8764412 0.0000000 0.5791140 0.0000000 -2.6293204 0.0000000 0.7836485 0.0000000 -2.0334925 7 S -1.8764412 0.0000000 0.5791140 0.0000000 -2.6293204 0.0000000 0.7836485 0.0000000 -2.0334925 8 S -1.9663228 0.0000000 0.0887067 0.0000000 -3.1603410 0.0000000 0.0667337 0.0000000 -2.8599968 9 S -1.9663228 0.0000000 0.0887067 0.0000000 -3.1603410 0.0000000 0.0667337 0.0000000 -2.8599968 10 S -2.4386604 0.0000000 -0.3909910 0.0000000 -3.3061131 0.0000000 -0.5552459 0.0000000 -2.3883025 11 S -2.2498090 0.0000000 -0.1225106 0.0000000 -3.3418034 0.0000000 -0.2328327 0.0000000 -2.6516591 12 S -2.2498090 0.0000000 -0.1225106 0.0000000 -3.3418034 0.0000000 -0.2328327 0.0000000 -2.6516591 13 S -3.2600192 0.0000000 0.0373955 0.0000000 -2.7597097 0.0000000 -0.1625620 0.0000000 -1.8910599 14 S -3.2600192 0.0000000 0.0373955 0.0000000 -2.7597097 0.0000000 -0.1625620 0.0000000 -1.8910599 15 S -2.9257497 0.0000000 -0.3160176 0.0000000 -3.0809923 0.0000000 -0.3459015 0.0000000 -1.5756302 16 S -2.9257497 0.0000000 -0.3160176 0.0000000 -3.0809923 0.0000000 -0.3459015 0.0000000 -1.5756302 17 S -2.6708170 0.0000000 -0.2838245 0.0000000 -2.1257470 0.0000000 -0.1913976 0.0000000 -1.9468681 18 S -2.6708170 0.0000000 -0.2838245 0.0000000 -2.1257470 0.0000000 -0.1913976 0.0000000 -1.9468681 19 S -2.3916152 0.0000000 0.2299869 0.0000000 -2.2509932 0.0000000 0.1997130 0.0000000 -2.7855354 20 S -2.3916152 0.0000000 0.2299869 0.0000000 -2.2509932 0.0000000 0.1997130 0.0000000 -2.7855354 21 S -2.4611404 0.0000000 0.2606561 0.0000000 -2.1610242 0.0000000 0.4435785 0.0000000 -2.3596641 22 S -2.9875923 0.0000000 -0.1884236 0.0000000 -2.2171225 0.0000000 -0.4047293 0.0000000 -1.7386434 23 S -2.4611404 0.0000000 0.2606561 0.0000000 -2.1610242 0.0000000 0.4435785 0.0000000 -2.3596641 24 S -2.4386604 0.0000000 -0.3909910 0.0000000 -3.3061131 0.0000000 -0.5552459 0.0000000 -2.3883025 25 In 3.7309926 0.0000000 0.1642734 0.0000000 3.9076686 0.0000000 0.5204050 0.0000000 4.0066326 26 In 3.9583763 0.0000000 0.5014674 0.0000000 4.0861125 0.0000000 0.5192213 0.0000000 3.1860894 27 In 3.9583763 0.0000000 0.5014674 0.0000000 4.0861125 0.0000000 0.5192213 0.0000000 3.1860894 28 In 3.7650457 0.0000000 -0.4714445 0.0000000 4.0579542 0.0000000 -0.0922146 0.0000000 3.1332235 29 In 3.7650457 0.0000000 -0.4714445 0.0000000 4.0579542 0.0000000 -0.0922146 0.0000000 3.1332235 30 In 3.4358027 0.0000000 -0.4200534 0.0000000 4.0267317 0.0000000 -0.2157958 0.0000000 3.7413091 31 In 3.4358027 0.0000000 -0.4200534 0.0000000 4.0267317 0.0000000 -0.2157958 0.0000000 3.7413091 32 In 2.7076470 0.0000000 0.2642477 0.0000000 2.8138460 0.0000000 -1.0153132 0.0000000 3.7721632 33 In 2.7076470 0.0000000 0.2642477 0.0000000 2.8138460 0.0000000 -1.0153132 0.0000000 3.7721632 34 In 3.7309926 0.0000000 0.1642734 0.0000000 3.9076686 0.0000000 0.5204050 0.0000000 4.0066326 35 Tb 3.8787529 0.0000000 -0.1708709 0.0000000 4.5064100 0.0000000 0.1397641 0.0000000 3.4086730 36 Tb 3.8787529 0.0000000 -0.1708709 0.0000000 4.5064100 0.0000000 0.1397641 0.0000000 3.4086730 37 Tb 3.5294954 0.0000000 -0.2087719 0.0000000 4.0091400 0.0000000 -0.1145421 0.0000000 3.1620261 38 Tb 3.5294954 0.0000000 -0.2087719 0.0000000 4.0091400 0.0000000 -0.1145421 0.0000000 3.1620261 39 Tb 3.4821646 0.0000000 0.2959123 0.0000000 3.6093797 0.0000000 -0.0580015 0.0000000 3.8953824 40 Tb 3.4821646 0.0000000 0.2959123 0.0000000 3.6093797 0.0000000 -0.0580015 0.0000000 3.8953824 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099] Computing fc3[ 4, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099] Computing fc3[ 10, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099] Computing fc3[ 16, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099] Computing fc3[ 22, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099] Computing fc3[ 28, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099] Computing fc3[ 31, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099] Computing fc3[ 76, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099] Computing fc3[ 82, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099] Computing fc3[ 88, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099] Computing fc3[ 94, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099] Computing fc3[ 103, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099] Computing fc3[ 109, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099] Computing fc3[ 115, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) 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 04:57:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:57:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.855908360392126 0.000000000000000 0.000000000000000 b 0.000000000000000 3.858627490000000 0.000000000000000 c -2.220805563160468 0.000000000000000 20.983177816537136 Atomic positions (fractional): 1 S 0.39017336804329 0.75000000000000 0.15988744706940 32.065 2 S 0.12864449721115 0.25000000000000 0.03616514781503 32.065 3 S 0.87135550278885 0.75000000000000 0.96383485218497 32.065 4 S 0.06125238139368 0.25000000000000 0.85861136976306 32.065 5 S 0.93874761860632 0.75000000000000 0.14138863023693 32.065 6 S 0.61534128899245 0.25000000000000 0.05993482253265 32.065 7 S 0.38465871100755 0.75000000000000 0.94006517746735 32.065 8 S 0.27691479462229 0.25000000000000 0.38635796151738 32.065 9 S 0.72308520537771 0.75000000000000 0.61364203848262 32.065 10 S 0.16184543719441 0.25000000000000 0.21018870352329 32.065 11 S 0.03569545858966 0.75000000000000 0.31570881581179 32.065 12 S 0.96430454141034 0.25000000000000 0.68429118418821 32.065 13 S 0.70907576607486 0.75000000000000 0.21663989244294 32.065 14 S 0.29092423392514 0.25000000000000 0.78336010755706 32.065 15 S 0.51562619720362 0.75000000000000 0.71030965928813 32.065 16 S 0.48437380279638 0.25000000000000 0.28969034071187 32.065 17 S 0.20232578574816 0.75000000000000 0.65125261212134 32.065 18 S 0.79767421425184 0.25000000000000 0.34874738787866 32.065 19 S 0.57868317709632 0.75000000000000 0.44756836303269 32.065 20 S 0.42131682290368 0.25000000000000 0.55243163696731 32.065 21 S 0.87579894177518 0.25000000000000 0.50839213086157 32.065 22 S 0.60982663195671 0.25000000000000 0.84011255293061 32.065 23 S 0.12420105822482 0.75000000000000 0.49160786913843 32.065 24 S 0.83815456280559 0.75000000000000 0.78981129647671 32.065 25 In 0.16486504407704 0.75000000000000 0.11303495751520 114.818 26 In 0.65070912671178 0.25000000000000 0.52800317757900 114.818 27 In 0.34929087328822 0.75000000000000 0.47199682242100 114.818 28 In 0.54473610628063 0.25000000000000 0.17351906430075 114.818 29 In 0.45526389371937 0.75000000000000 0.82648093569925 114.818 30 In 0.35349576338233 0.25000000000000 0.66690944939531 114.818 31 In 0.64650423661767 0.75000000000000 0.33309055060469 114.818 32 In 0.24150593642020 0.25000000000000 0.94107470995917 114.818 33 In 0.75849406357980 0.75000000000000 0.05892529004083 114.818 34 In 0.83513495592297 0.25000000000000 0.88696504248480 114.818 35 Tb 0.28571491658158 0.75000000000000 0.28490668854536 158.925 36 Tb 0.71428508341842 0.25000000000000 0.71509331145464 158.925 37 Tb 0.08743496770911 0.75000000000000 0.76492329306564 158.925 38 Tb 0.91256503229089 0.25000000000000 0.23507670693436 158.925 39 Tb 0.97248151348203 0.75000000000000 0.58816921768578 158.925 40 Tb 0.02751848651797 0.25000000000000 0.41183078231422 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.855908360392126 0.000000000000000 0.000000000000000 b 0.000000000000000 11.575882470000000 0.000000000000000 c -2.220805563160468 0.000000000000000 20.983177816537136 Atomic positions (fractional): 1 S 0.39017336804329 0.25000000000000 0.15988744706940 32.065 > 1 2 S 0.39017336804329 0.58333333333333 0.15988744706940 32.065 > 1 3 S 0.39017336804329 0.91666666666667 0.15988744706940 32.065 > 1 4 S 0.12864449721115 0.08333333333333 0.03616514781503 32.065 > 4 5 S 0.12864449721115 0.41666666666667 0.03616514781503 32.065 > 4 6 S 0.12864449721115 0.75000000000000 0.03616514781503 32.065 > 4 7 S 0.87135550278885 0.25000000000000 0.96383485218497 32.065 > 7 8 S 0.87135550278885 0.58333333333333 0.96383485218497 32.065 > 7 9 S 0.87135550278885 0.91666666666667 0.96383485218497 32.065 > 7 10 S 0.06125238139368 0.08333333333333 0.85861136976306 32.065 > 10 11 S 0.06125238139368 0.41666666666667 0.85861136976306 32.065 > 10 12 S 0.06125238139368 0.75000000000000 0.85861136976306 32.065 > 10 13 S 0.93874761860632 0.25000000000000 0.14138863023693 32.065 > 13 14 S 0.93874761860632 0.58333333333333 0.14138863023693 32.065 > 13 15 S 0.93874761860632 0.91666666666667 0.14138863023693 32.065 > 13 16 S 0.61534128899245 0.08333333333333 0.05993482253265 32.065 > 16 17 S 0.61534128899245 0.41666666666667 0.05993482253265 32.065 > 16 18 S 0.61534128899245 0.75000000000000 0.05993482253265 32.065 > 16 19 S 0.38465871100755 0.25000000000000 0.94006517746735 32.065 > 19 20 S 0.38465871100755 0.58333333333333 0.94006517746735 32.065 > 19 21 S 0.38465871100755 0.91666666666667 0.94006517746735 32.065 > 19 22 S 0.27691479462229 0.08333333333333 0.38635796151738 32.065 > 22 23 S 0.27691479462229 0.41666666666667 0.38635796151738 32.065 > 22 24 S 0.27691479462229 0.75000000000000 0.38635796151738 32.065 > 22 25 S 0.72308520537771 0.25000000000000 0.61364203848262 32.065 > 25 26 S 0.72308520537771 0.58333333333333 0.61364203848262 32.065 > 25 27 S 0.72308520537771 0.91666666666667 0.61364203848262 32.065 > 25 28 S 0.16184543719441 0.08333333333333 0.21018870352329 32.065 > 28 29 S 0.16184543719441 0.41666666666667 0.21018870352329 32.065 > 28 30 S 0.16184543719441 0.75000000000000 0.21018870352329 32.065 > 28 31 S 0.03569545858966 0.25000000000000 0.31570881581179 32.065 > 31 32 S 0.03569545858966 0.58333333333333 0.31570881581179 32.065 > 31 33 S 0.03569545858966 0.91666666666667 0.31570881581179 32.065 > 31 34 S 0.96430454141034 0.08333333333333 0.68429118418821 32.065 > 34 35 S 0.96430454141034 0.41666666666667 0.68429118418821 32.065 > 34 36 S 0.96430454141034 0.75000000000000 0.68429118418821 32.065 > 34 37 S 0.70907576607486 0.25000000000000 0.21663989244294 32.065 > 37 38 S 0.70907576607486 0.58333333333333 0.21663989244294 32.065 > 37 39 S 0.70907576607486 0.91666666666667 0.21663989244294 32.065 > 37 40 S 0.29092423392514 0.08333333333333 0.78336010755706 32.065 > 40 41 S 0.29092423392514 0.41666666666667 0.78336010755706 32.065 > 40 42 S 0.29092423392514 0.75000000000000 0.78336010755706 32.065 > 40 43 S 0.51562619720362 0.25000000000000 0.71030965928813 32.065 > 43 44 S 0.51562619720362 0.58333333333333 0.71030965928813 32.065 > 43 45 S 0.51562619720362 0.91666666666667 0.71030965928813 32.065 > 43 46 S 0.48437380279638 0.08333333333333 0.28969034071187 32.065 > 46 47 S 0.48437380279638 0.41666666666667 0.28969034071187 32.065 > 46 48 S 0.48437380279638 0.75000000000000 0.28969034071187 32.065 > 46 49 S 0.20232578574816 0.25000000000000 0.65125261212134 32.065 > 49 50 S 0.20232578574816 0.58333333333333 0.65125261212134 32.065 > 49 51 S 0.20232578574816 0.91666666666667 0.65125261212134 32.065 > 49 52 S 0.79767421425184 0.08333333333333 0.34874738787866 32.065 > 52 53 S 0.79767421425184 0.41666666666667 0.34874738787866 32.065 > 52 54 S 0.79767421425184 0.75000000000000 0.34874738787866 32.065 > 52 55 S 0.57868317709632 0.25000000000000 0.44756836303269 32.065 > 55 56 S 0.57868317709632 0.58333333333333 0.44756836303269 32.065 > 55 57 S 0.57868317709632 0.91666666666667 0.44756836303269 32.065 > 55 58 S 0.42131682290368 0.08333333333333 0.55243163696731 32.065 > 58 59 S 0.42131682290368 0.41666666666667 0.55243163696731 32.065 > 58 60 S 0.42131682290368 0.75000000000000 0.55243163696731 32.065 > 58 61 S 0.87579894177518 0.08333333333333 0.50839213086157 32.065 > 61 62 S 0.87579894177518 0.41666666666667 0.50839213086157 32.065 > 61 63 S 0.87579894177518 0.75000000000000 0.50839213086157 32.065 > 61 64 S 0.60982663195671 0.08333333333333 0.84011255293061 32.065 > 64 65 S 0.60982663195671 0.41666666666667 0.84011255293061 32.065 > 64 66 S 0.60982663195671 0.75000000000000 0.84011255293061 32.065 > 64 67 S 0.12420105822482 0.25000000000000 0.49160786913843 32.065 > 67 68 S 0.12420105822482 0.58333333333333 0.49160786913843 32.065 > 67 69 S 0.12420105822482 0.91666666666667 0.49160786913843 32.065 > 67 70 S 0.83815456280559 0.25000000000000 0.78981129647671 32.065 > 70 71 S 0.83815456280559 0.58333333333333 0.78981129647671 32.065 > 70 72 S 0.83815456280559 0.91666666666667 0.78981129647671 32.065 > 70 73 In 0.16486504407704 0.25000000000000 0.11303495751520 114.818 > 73 74 In 0.16486504407704 0.58333333333333 0.11303495751520 114.818 > 73 75 In 0.16486504407704 0.91666666666667 0.11303495751520 114.818 > 73 76 In 0.65070912671178 0.08333333333333 0.52800317757900 114.818 > 76 77 In 0.65070912671178 0.41666666666667 0.52800317757900 114.818 > 76 78 In 0.65070912671178 0.75000000000000 0.52800317757900 114.818 > 76 79 In 0.34929087328822 0.25000000000000 0.47199682242100 114.818 > 79 80 In 0.34929087328822 0.58333333333333 0.47199682242100 114.818 > 79 81 In 0.34929087328822 0.91666666666667 0.47199682242100 114.818 > 79 82 In 0.54473610628063 0.08333333333333 0.17351906430075 114.818 > 82 83 In 0.54473610628063 0.41666666666667 0.17351906430075 114.818 > 82 84 In 0.54473610628063 0.75000000000000 0.17351906430075 114.818 > 82 85 In 0.45526389371937 0.25000000000000 0.82648093569925 114.818 > 85 86 In 0.45526389371937 0.58333333333333 0.82648093569925 114.818 > 85 87 In 0.45526389371937 0.91666666666667 0.82648093569925 114.818 > 85 88 In 0.35349576338233 0.08333333333333 0.66690944939531 114.818 > 88 89 In 0.35349576338233 0.41666666666667 0.66690944939531 114.818 > 88 90 In 0.35349576338233 0.75000000000000 0.66690944939531 114.818 > 88 91 In 0.64650423661767 0.25000000000000 0.33309055060469 114.818 > 91 92 In 0.64650423661767 0.58333333333333 0.33309055060469 114.818 > 91 93 In 0.64650423661767 0.91666666666667 0.33309055060469 114.818 > 91 94 In 0.24150593642020 0.08333333333333 0.94107470995917 114.818 > 94 95 In 0.24150593642020 0.41666666666667 0.94107470995917 114.818 > 94 96 In 0.24150593642020 0.75000000000000 0.94107470995917 114.818 > 94 97 In 0.75849406357980 0.25000000000000 0.05892529004083 114.818 > 97 98 In 0.75849406357980 0.58333333333333 0.05892529004083 114.818 > 97 99 In 0.75849406357980 0.91666666666667 0.05892529004083 114.818 > 97 100 In 0.83513495592297 0.08333333333333 0.88696504248480 114.818 > 100 101 In 0.83513495592297 0.41666666666667 0.88696504248480 114.818 > 100 102 In 0.83513495592297 0.75000000000000 0.88696504248480 114.818 > 100 103 Tb 0.28571491658158 0.25000000000000 0.28490668854536 158.925 > 103 104 Tb 0.28571491658158 0.58333333333333 0.28490668854536 158.925 > 103 105 Tb 0.28571491658158 0.91666666666667 0.28490668854536 158.925 > 103 106 Tb 0.71428508341842 0.08333333333333 0.71509331145464 158.925 > 106 107 Tb 0.71428508341842 0.41666666666667 0.71509331145464 158.925 > 106 108 Tb 0.71428508341842 0.75000000000000 0.71509331145464 158.925 > 106 109 Tb 0.08743496770911 0.25000000000000 0.76492329306564 158.925 > 109 110 Tb 0.08743496770911 0.58333333333333 0.76492329306564 158.925 > 109 111 Tb 0.08743496770911 0.91666666666667 0.76492329306564 158.925 > 109 112 Tb 0.91256503229089 0.08333333333333 0.23507670693436 158.925 > 112 113 Tb 0.91256503229089 0.41666666666667 0.23507670693436 158.925 > 112 114 Tb 0.91256503229089 0.75000000000000 0.23507670693436 158.925 > 112 115 Tb 0.97248151348203 0.25000000000000 0.58816921768578 158.925 > 115 116 Tb 0.97248151348203 0.58333333333333 0.58816921768578 158.925 > 115 117 Tb 0.97248151348203 0.91666666666667 0.58816921768578 158.925 > 115 118 Tb 0.02751848651797 0.08333333333333 0.41183078231422 158.925 > 118 119 Tb 0.02751848651797 0.41666666666667 0.41183078231422 158.925 > 118 120 Tb 0.02751848651797 0.75000000000000 0.41183078231422 158.925 > 118 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.7781128 0.0000000 -0.3252147 0.0000000 8.6341071 0.0000000 -0.3252288 0.0000000 8.1569443 -------------------------- Born effective charges -------------------------- 1 S -2.9875923 0.0000000 -0.1884236 0.0000000 -2.2171225 0.0000000 -0.4047293 0.0000000 -1.7386434 2 S -1.2658631 0.0000000 0.4138511 0.0000000 -2.2606716 0.0000000 0.6942432 0.0000000 -3.3839354 3 S -1.2658631 0.0000000 0.4138511 0.0000000 -2.2606716 0.0000000 0.6942432 0.0000000 -3.3839354 4 S -1.9942469 0.0000000 -0.2627031 0.0000000 -1.7234045 0.0000000 0.0212291 0.0000000 -2.6907120 5 S -1.9942469 0.0000000 -0.2627031 0.0000000 -1.7234045 0.0000000 0.0212291 0.0000000 -2.6907120 6 S -1.8764412 0.0000000 0.5791140 0.0000000 -2.6293204 0.0000000 0.7836485 0.0000000 -2.0334925 7 S -1.8764412 0.0000000 0.5791140 0.0000000 -2.6293204 0.0000000 0.7836485 0.0000000 -2.0334925 8 S -1.9663228 0.0000000 0.0887067 0.0000000 -3.1603410 0.0000000 0.0667337 0.0000000 -2.8599968 9 S -1.9663228 0.0000000 0.0887067 0.0000000 -3.1603410 0.0000000 0.0667337 0.0000000 -2.8599968 10 S -2.4386604 0.0000000 -0.3909910 0.0000000 -3.3061131 0.0000000 -0.5552459 0.0000000 -2.3883025 11 S -2.2498090 0.0000000 -0.1225106 0.0000000 -3.3418034 0.0000000 -0.2328327 0.0000000 -2.6516591 12 S -2.2498090 0.0000000 -0.1225106 0.0000000 -3.3418034 0.0000000 -0.2328327 0.0000000 -2.6516591 13 S -3.2600192 0.0000000 0.0373955 0.0000000 -2.7597097 0.0000000 -0.1625620 0.0000000 -1.8910599 14 S -3.2600192 0.0000000 0.0373955 0.0000000 -2.7597097 0.0000000 -0.1625620 0.0000000 -1.8910599 15 S -2.9257497 0.0000000 -0.3160176 0.0000000 -3.0809923 0.0000000 -0.3459015 0.0000000 -1.5756302 16 S -2.9257497 0.0000000 -0.3160176 0.0000000 -3.0809923 0.0000000 -0.3459015 0.0000000 -1.5756302 17 S -2.6708170 0.0000000 -0.2838245 0.0000000 -2.1257470 0.0000000 -0.1913976 0.0000000 -1.9468681 18 S -2.6708170 0.0000000 -0.2838245 0.0000000 -2.1257470 0.0000000 -0.1913976 0.0000000 -1.9468681 19 S -2.3916152 0.0000000 0.2299869 0.0000000 -2.2509932 0.0000000 0.1997130 0.0000000 -2.7855354 20 S -2.3916152 0.0000000 0.2299869 0.0000000 -2.2509932 0.0000000 0.1997130 0.0000000 -2.7855354 21 S -2.4611404 0.0000000 0.2606561 0.0000000 -2.1610242 0.0000000 0.4435785 0.0000000 -2.3596641 22 S -2.9875923 0.0000000 -0.1884236 0.0000000 -2.2171225 0.0000000 -0.4047293 0.0000000 -1.7386434 23 S -2.4611404 0.0000000 0.2606561 0.0000000 -2.1610242 0.0000000 0.4435785 0.0000000 -2.3596641 24 S -2.4386604 0.0000000 -0.3909910 0.0000000 -3.3061131 0.0000000 -0.5552459 0.0000000 -2.3883025 25 In 3.7309926 0.0000000 0.1642734 0.0000000 3.9076686 0.0000000 0.5204050 0.0000000 4.0066326 26 In 3.9583763 0.0000000 0.5014674 0.0000000 4.0861125 0.0000000 0.5192213 0.0000000 3.1860894 27 In 3.9583763 0.0000000 0.5014674 0.0000000 4.0861125 0.0000000 0.5192213 0.0000000 3.1860894 28 In 3.7650457 0.0000000 -0.4714445 0.0000000 4.0579542 0.0000000 -0.0922146 0.0000000 3.1332235 29 In 3.7650457 0.0000000 -0.4714445 0.0000000 4.0579542 0.0000000 -0.0922146 0.0000000 3.1332235 30 In 3.4358027 0.0000000 -0.4200534 0.0000000 4.0267317 0.0000000 -0.2157958 0.0000000 3.7413091 31 In 3.4358027 0.0000000 -0.4200534 0.0000000 4.0267317 0.0000000 -0.2157958 0.0000000 3.7413091 32 In 2.7076470 0.0000000 0.2642477 0.0000000 2.8138460 0.0000000 -1.0153132 0.0000000 3.7721632 33 In 2.7076470 0.0000000 0.2642477 0.0000000 2.8138460 0.0000000 -1.0153132 0.0000000 3.7721632 34 In 3.7309926 0.0000000 0.1642734 0.0000000 3.9076686 0.0000000 0.5204050 0.0000000 4.0066326 35 Tb 3.8787529 0.0000000 -0.1708709 0.0000000 4.5064100 0.0000000 0.1397641 0.0000000 3.4086730 36 Tb 3.8787529 0.0000000 -0.1708709 0.0000000 4.5064100 0.0000000 0.1397641 0.0000000 3.4086730 37 Tb 3.5294954 0.0000000 -0.2087719 0.0000000 4.0091400 0.0000000 -0.1145421 0.0000000 3.1620261 38 Tb 3.5294954 0.0000000 -0.2087719 0.0000000 4.0091400 0.0000000 -0.1145421 0.0000000 3.1620261 39 Tb 3.4821646 0.0000000 0.2959123 0.0000000 3.6093797 0.0000000 -0.0580015 0.0000000 3.8953824 40 Tb 3.4821646 0.0000000 0.2959123 0.0000000 3.6093797 0.0000000 -0.0580015 0.0000000 3.8953824 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) 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 ... [ 5 13 2 ] 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: 0.43, Number of G-points: 303, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/42) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 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 0.607 ( 0.000 0.000 0.000) 0.000 0.705 ( 0.000 0.000 0.000) 0.000 0.885 ( 0.000 0.000 0.000) 0.000 1.075 ( 0.000 0.000 0.000) 0.000 1.314 ( 0.000 0.000 0.000) 0.000 1.347 ( 0.000 0.000 0.000) 0.000 1.524 ( 0.000 0.000 0.000) 0.000 1.528 ( 0.000 0.000 0.000) 0.000 1.548 ( 0.000 0.000 0.000) 0.000 1.652 ( 0.000 0.000 0.000) 0.000 1.663 ( 0.000 0.000 0.000) 0.000 1.717 ( 0.000 0.000 0.000) 0.000 1.767 ( 0.000 0.000 0.000) 0.000 1.829 ( 0.000 0.000 0.000) 0.000 1.831 ( 0.000 0.000 0.000) 0.000 1.881 ( 0.000 0.000 0.000) 0.000 1.888 ( 0.000 0.000 0.000) 0.000 1.901 ( 0.000 0.000 0.000) 0.000 2.097 ( 0.000 0.000 0.000) 0.000 2.109 ( 0.000 0.000 0.000) 0.000 2.149 ( 0.000 0.000 0.000) 0.000 2.156 ( 0.000 0.000 0.000) 0.000 2.172 ( 0.000 0.000 0.000) 0.000 2.283 ( 0.000 0.000 0.000) 0.000 2.283 ( 0.000 0.000 0.000) 0.000 2.345 ( 0.000 0.000 0.000) 0.000 2.381 ( 0.000 0.000 0.000) 0.000 2.495 ( 0.000 0.000 0.000) 0.000 2.682 ( 0.000 0.000 0.000) 0.000 2.782 ( 0.000 0.000 0.000) 0.000 2.924 ( 0.000 0.000 0.000) 0.000 2.958 ( 0.000 0.000 0.000) 0.000 3.122 ( 0.000 0.000 0.000) 0.000 3.288 ( 0.000 0.000 0.000) 0.000 3.403 ( 0.000 0.000 0.000) 0.000 3.801 ( 0.000 0.000 0.000) 0.000 3.807 ( 0.000 0.000 0.000) 0.000 3.837 ( 0.000 0.000 0.000) 0.000 4.050 ( 0.000 0.000 0.000) 0.000 4.106 ( 0.000 0.000 0.000) 0.000 4.211 ( 0.000 0.000 0.000) 0.000 4.229 ( 0.000 0.000 0.000) 0.000 4.378 ( 0.000 0.000 0.000) 0.000 4.427 ( 0.000 0.000 0.000) 0.000 4.497 ( 0.000 0.000 0.000) 0.000 4.629 ( 0.000 0.000 0.000) 0.000 4.630 ( 0.000 0.000 0.000) 0.000 4.642 ( 0.000 0.000 0.000) 0.000 4.912 ( 0.000 0.000 0.000) 0.000 5.053 ( 0.000 0.000 0.000) 0.000 5.145 ( 0.000 0.000 0.000) 0.000 5.422 ( 0.000 0.000 0.000) 0.000 5.438 ( 0.000 0.000 0.000) 0.000 5.503 ( 0.000 0.000 0.000) 0.000 5.517 ( 0.000 0.000 0.000) 0.000 5.574 ( 0.000 0.000 0.000) 0.000 5.643 ( 0.000 0.000 0.000) 0.000 5.675 ( 0.000 0.000 0.000) 0.000 5.785 ( 0.000 0.000 0.000) 0.000 5.791 ( 0.000 0.000 0.000) 0.000 5.800 ( 0.000 0.000 0.000) 0.000 5.879 ( 0.000 0.000 0.000) 0.000 5.982 ( 0.000 0.000 0.000) 0.000 6.013 ( 0.000 0.000 0.000) 0.000 6.086 ( 0.000 0.000 0.000) 0.000 6.107 ( 0.000 0.000 0.000) 0.000 6.280 ( 0.000 0.000 0.000) 0.000 6.314 ( 0.000 0.000 0.000) 0.000 6.330 ( 0.000 0.000 0.000) 0.000 6.452 ( 0.000 0.000 0.000) 0.000 6.511 ( 0.000 0.000 0.000) 0.000 6.550 ( 0.000 0.000 0.000) 0.000 6.747 ( 0.000 0.000 0.000) 0.000 6.818 ( 0.000 0.000 0.000) 0.000 6.847 ( 0.000 0.000 0.000) 0.000 7.012 ( 0.000 0.000 0.000) 0.000 7.031 ( 0.000 0.000 0.000) 0.000 7.047 ( 0.000 0.000 0.000) 0.000 7.047 ( 0.000 0.000 0.000) 0.000 7.083 ( 0.000 0.000 0.000) 0.000 7.178 ( 0.000 0.000 0.000) 0.000 7.246 ( 0.000 0.000 0.000) 0.000 7.340 ( 0.000 0.000 0.000) 0.000 7.563 ( 0.000 0.000 0.000) 0.000 7.593 ( 0.000 0.000 0.000) 0.000 7.598 ( 0.000 0.000 0.000) 0.000 7.706 ( 0.000 0.000 0.000) 0.000 7.775 ( 0.000 0.000 0.000) 0.000 7.844 ( 0.000 0.000 0.000) 0.000 8.014 ( 0.000 0.000 0.000) 0.000 8.102 ( 0.000 0.000 0.000) 0.000 8.106 ( 0.000 0.000 0.000) 0.000 8.166 ( 0.000 0.000 0.000) 0.000 8.203 ( 0.000 0.000 0.000) 0.000 8.237 ( 0.000 0.000 0.000) 0.000 8.246 ( 0.000 0.000 0.000) 0.000 8.345 ( 0.000 0.000 0.000) 0.000 8.487 ( 0.000 0.000 0.000) 0.000 8.500 ( 0.000 0.000 0.000) 0.000 8.579 ( 0.000 0.000 0.000) 0.000 8.616 ( 0.000 0.000 0.000) 0.000 8.690 ( 0.000 0.000 0.000) 0.000 8.836 ( 0.000 0.000 0.000) 0.000 8.924 ( 0.000 0.000 0.000) 0.000 9.136 ( 0.000 0.000 0.000) 0.000 9.178 ( 0.000 0.000 0.000) 0.000 9.401 ( 0.000 0.000 0.000) 0.000 9.651 ( 0.000 0.000 0.000) 0.000 9.761 ( 0.000 0.000 0.000) 0.000 9.967 ( 0.000 0.000 0.000) 0.000 9.979 ( 0.000 0.000 0.000) 0.000 10.102 ( 0.000 0.000 0.000) 0.000 10.112 ( 0.000 0.000 0.000) 0.000 10.130 ( 0.000 0.000 0.000) 0.000 10.275 ( 0.000 0.000 0.000) 0.000 10.520 ( 0.000 0.000 0.000) 0.000 10.619 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/42) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( 22.637 0.000 0.184) 22.638 0.420 ( 21.762 0.000 -0.388) 21.765 0.726 ( 4.096 0.000 4.975) 6.444 0.729 ( 9.956 0.000 -5.148) 11.208 0.846 ( 44.206 0.000 -4.192) 44.404 0.992 ( 9.464 0.000 -6.196) 11.311 1.064 ( -1.214 0.000 1.330) 1.800 1.262 ( -4.327 0.000 12.499) 13.227 1.324 ( 0.562 0.000 -1.540) 1.639 1.445 ( -7.797 0.000 -0.111) 7.798 1.465 ( -10.025 0.000 0.215) 10.027 1.492 ( -4.053 0.000 0.530) 4.088 1.651 ( -0.093 0.000 1.475) 1.477 1.669 ( -0.309 0.000 -1.176) 1.216 1.688 ( -7.044 0.000 -1.784) 7.266 1.751 ( -8.250 0.000 1.421) 8.372 1.757 ( -0.347 0.000 -0.143) 0.375 1.834 ( -3.910 0.000 -0.400) 3.931 1.858 ( -2.880 0.000 0.050) 2.881 1.899 ( -0.304 0.000 0.011) 0.304 1.910 ( 2.797 0.000 1.001) 2.970 2.027 ( 12.998 0.000 -7.727) 15.121 2.103 ( -2.930 0.000 -0.305) 2.946 2.118 ( -2.632 0.000 0.280) 2.647 2.183 ( -1.926 0.000 1.627) 2.521 2.255 ( -5.313 0.000 -0.809) 5.374 2.288 ( 5.921 0.000 5.201) 7.881 2.324 ( 2.877 0.000 0.083) 2.878 2.325 ( 3.003 0.000 -0.078) 3.004 2.422 ( -7.391 0.000 -1.141) 7.478 2.511 ( 6.044 0.000 -3.716) 7.095 2.632 ( -9.946 0.000 3.700) 10.612 2.707 ( -5.855 0.000 0.746) 5.902 2.775 ( 0.332 0.000 1.199) 1.244 2.893 ( -6.142 0.000 -0.945) 6.215 3.201 ( 8.997 0.000 2.700) 9.393 3.441 ( 1.065 0.000 -2.083) 2.340 3.528 ( -20.547 0.000 1.278) 20.587 3.609 ( 13.141 0.000 -2.625) 13.400 3.721 ( -11.014 0.000 -3.230) 11.478 3.801 ( 1.232 0.000 2.958) 3.204 3.908 ( -6.267 0.000 2.672) 6.813 4.090 ( 0.454 0.000 -1.121) 1.210 4.236 ( -0.104 0.000 -2.271) 2.273 4.353 ( 4.503 0.000 -3.541) 5.729 4.444 ( 1.232 0.000 -1.567) 1.993 4.472 ( 6.517 0.000 6.601) 9.276 4.514 ( 2.111 0.000 -1.099) 2.380 4.625 ( -0.747 0.000 1.394) 1.582 4.637 ( 0.821 0.000 -0.016) 0.821 4.650 ( 0.788 0.000 0.017) 0.788 4.952 ( 4.284 0.000 -0.916) 4.381 5.051 ( -0.162 0.000 -0.007) 0.162 5.144 ( -0.077 0.000 0.011) 0.078 5.428 ( 0.606 0.000 0.064) 0.609 5.445 ( 0.618 0.000 -0.076) 0.623 5.462 ( -2.852 0.000 2.677) 3.911 5.530 ( 0.004 0.000 -0.615) 0.615 5.626 ( 4.823 0.000 -0.379) 4.837 5.714 ( 4.127 0.000 -1.866) 4.529 5.764 ( 0.130 0.000 2.634) 2.638 5.794 ( 0.327 0.000 0.037) 0.329 5.815 ( 2.172 0.000 -0.809) 2.317 5.875 ( -0.367 0.000 -0.016) 0.368 5.939 ( -0.970 0.000 7.294) 7.359 5.993 ( -1.725 0.000 -0.033) 1.725 6.022 ( 2.284 0.000 2.433) 3.337 6.086 ( 0.122 0.000 -0.063) 0.137 6.131 ( 1.818 0.000 0.079) 1.819 6.303 ( -0.913 0.000 -0.002) 0.913 6.314 ( 2.343 0.000 2.502) 3.428 6.327 ( -4.927 0.000 -2.285) 5.430 6.532 ( 2.205 0.000 0.017) 2.205 6.533 ( -0.814 0.000 -11.727) 11.755 6.665 ( -12.674 0.000 0.270) 12.677 6.723 ( -2.512 0.000 -0.014) 2.512 6.861 ( -3.857 0.000 3.761) 5.387 6.896 ( 1.247 0.000 9.606) 9.687 6.983 ( -3.521 0.000 -5.687) 6.688 7.034 ( -1.153 0.000 0.003) 1.153 7.045 ( -0.219 0.000 -0.003) 0.219 7.091 ( -0.421 0.000 -3.583) 3.608 7.106 ( 0.360 0.000 0.390) 0.531 7.144 ( 3.224 0.000 3.152) 4.509 7.382 ( 0.107 0.000 -0.199) 0.226 7.461 ( -1.109 0.000 2.642) 2.866 7.564 ( 0.077 0.000 0.000) 0.077 7.565 ( -4.695 0.000 1.399) 4.899 7.670 ( -0.104 0.000 5.607) 5.608 7.759 ( -0.553 0.000 -2.386) 2.449 7.840 ( -0.376 0.000 0.002) 0.376 7.904 ( -2.661 0.000 0.457) 2.700 8.047 ( 2.444 0.000 3.152) 3.989 8.104 ( 0.343 0.000 0.076) 0.352 8.115 ( 0.623 0.000 -0.092) 0.629 8.151 ( -0.643 0.000 -0.987) 1.178 8.239 ( 0.153 0.000 0.086) 0.175 8.248 ( 0.191 0.000 -0.072) 0.205 8.267 ( 4.044 0.000 -3.885) 5.608 8.417 ( 5.393 0.000 -0.846) 5.459 8.501 ( 0.084 0.000 -0.000) 0.084 8.561 ( -2.124 0.000 1.876) 2.834 8.577 ( -0.182 0.000 0.000) 0.182 8.738 ( 3.720 0.000 -1.486) 4.006 8.799 ( -1.011 0.000 -1.575) 1.872 8.888 ( 3.253 0.000 -4.834) 5.827 8.969 ( 2.909 0.000 2.710) 3.976 9.107 ( -2.918 0.000 1.113) 3.124 9.193 ( -0.206 0.000 -1.497) 1.511 9.340 ( -6.931 0.000 -0.494) 6.949 9.668 ( 1.242 0.000 -0.605) 1.382 9.839 ( 5.459 0.000 1.018) 5.553 9.947 ( -1.422 0.000 -0.738) 1.602 10.044 ( -3.161 0.000 -1.889) 3.682 10.149 ( 2.854 0.000 0.957) 3.010 10.166 ( 3.630 0.000 -0.120) 3.632 10.268 ( -0.454 0.000 -1.047) 1.141 10.387 ( -2.268 0.000 8.729) 9.019 10.521 ( 0.125 0.000 0.125) 0.177 10.605 ( -1.510 0.000 -5.303) 5.514 ======================= Grid point 2 (3/42) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 5.201 0.000 0.131) 5.203 0.820 ( 20.615 0.000 0.125) 20.615 0.832 ( 11.961 0.000 -0.546) 11.973 0.969 ( 11.227 0.000 -1.967) 11.398 1.044 ( -0.658 0.000 -1.409) 1.555 1.052 ( 1.056 0.000 3.871) 4.013 1.197 ( -16.222 0.000 -4.722) 16.895 1.256 ( -8.833 0.000 -3.619) 9.545 1.260 ( -10.397 0.000 1.682) 10.532 1.344 ( 8.609 0.000 9.830) 13.067 1.436 ( -0.664 0.000 0.286) 0.723 1.537 ( -5.037 0.000 0.984) 5.132 1.565 ( 8.188 0.000 -4.651) 9.417 1.649 ( -0.500 0.000 1.253) 1.349 1.657 ( -0.066 0.000 -1.167) 1.169 1.662 ( 18.505 0.000 -0.593) 18.515 1.752 ( -0.686 0.000 0.125) 0.697 1.796 ( -0.381 0.000 0.948) 1.021 1.813 ( -1.135 0.000 -0.046) 1.136 1.893 ( -0.264 0.000 -0.019) 0.265 1.957 ( 2.932 0.000 -0.552) 2.984 2.069 ( -0.760 0.000 -0.120) 0.770 2.086 ( -0.873 0.000 0.108) 0.880 2.105 ( -3.197 0.000 -3.994) 5.116 2.119 ( -5.640 0.000 0.306) 5.649 2.251 ( -5.877 0.000 -5.320) 7.927 2.289 ( -16.174 0.000 11.105) 19.620 2.362 ( 1.082 0.000 -0.003) 1.082 2.365 ( 1.150 0.000 0.006) 1.150 2.375 ( 15.356 0.000 3.053) 15.656 2.388 ( -3.516 0.000 0.026) 3.516 2.545 ( -1.206 0.000 -2.968) 3.203 2.694 ( 1.186 0.000 -8.063) 8.150 2.894 ( 8.421 0.000 1.881) 8.629 2.911 ( -0.917 0.000 2.400) 2.570 3.099 ( -11.107 0.000 4.076) 11.831 3.258 ( -3.750 0.000 4.223) 5.647 3.343 ( -11.806 0.000 -3.503) 12.314 3.533 ( -1.162 0.000 -6.757) 6.856 3.742 ( -5.287 0.000 3.953) 6.601 3.872 ( 10.122 0.000 -2.688) 10.473 3.981 ( 6.052 0.000 2.172) 6.430 4.121 ( 3.196 0.000 -0.347) 3.215 4.204 ( -2.902 0.000 2.747) 3.996 4.339 ( -5.028 0.000 -2.798) 5.755 4.450 ( 3.192 0.000 -2.982) 4.369 4.522 ( -1.543 0.000 2.188) 2.677 4.593 ( 1.506 0.000 2.002) 2.506 4.620 ( 1.722 0.000 -0.198) 1.733 4.652 ( 0.516 0.000 -0.012) 0.517 4.664 ( 0.462 0.000 0.013) 0.462 5.030 ( 2.934 0.000 -0.369) 2.957 5.049 ( -0.082 0.000 -0.004) 0.082 5.142 ( -0.056 0.000 0.007) 0.056 5.431 ( -0.835 0.000 0.726) 1.107 5.439 ( 0.385 0.000 0.038) 0.387 5.455 ( 0.380 0.000 -0.045) 0.382 5.527 ( -0.106 0.000 -0.172) 0.202 5.734 ( 5.548 0.000 1.145) 5.665 5.752 ( 0.211 0.000 0.050) 0.217 5.783 ( 0.424 0.000 -1.143) 1.219 5.800 ( 0.236 0.000 0.028) 0.238 5.846 ( 1.833 0.000 -0.179) 1.842 5.868 ( -0.252 0.000 -0.017) 0.252 5.937 ( -0.654 0.000 0.720) 0.973 5.966 ( -0.834 0.000 -0.013) 0.834 6.046 ( -0.062 0.000 0.795) 0.798 6.087 ( 0.014 0.000 -0.034) 0.037 6.160 ( 1.056 0.000 0.049) 1.057 6.279 ( -0.835 0.000 -1.047) 1.340 6.288 ( -0.576 0.000 -0.011) 0.576 6.387 ( 3.474 0.000 2.846) 4.490 6.420 ( -6.396 0.000 0.299) 6.403 6.532 ( -0.140 0.000 -2.742) 2.746 6.585 ( 3.266 0.000 0.009) 3.266 6.663 ( -3.592 0.000 -0.006) 3.592 6.683 ( -10.020 0.000 -2.316) 10.284 6.960 ( 2.606 0.000 8.452) 8.844 7.000 ( 2.649 0.000 0.457) 2.688 7.014 ( -0.692 0.000 -0.015) 0.692 7.040 ( -1.566 0.000 -7.811) 7.966 7.042 ( -0.119 0.000 0.014) 0.119 7.092 ( -2.648 0.000 1.698) 3.146 7.207 ( 1.387 0.000 0.578) 1.502 7.351 ( -1.078 0.000 0.250) 1.107 7.429 ( -2.684 0.000 -2.348) 3.566 7.528 ( 0.592 0.000 2.402) 2.474 7.565 ( 0.040 0.000 0.003) 0.040 7.683 ( 0.502 0.000 1.175) 1.278 7.737 ( -0.884 0.000 -0.615) 1.077 7.834 ( -0.209 0.000 -0.007) 0.209 7.905 ( 0.932 0.000 -1.988) 2.195 8.096 ( 1.637 0.000 4.825) 5.096 8.112 ( 0.352 0.000 0.200) 0.405 8.122 ( 0.193 0.000 -0.211) 0.286 8.136 ( -0.658 0.000 -3.251) 3.317 8.242 ( 0.119 0.000 0.072) 0.139 8.251 ( 0.116 0.000 -0.058) 0.130 8.333 ( 3.327 0.000 -2.905) 4.417 8.450 ( -1.575 0.000 1.196) 1.977 8.502 ( 0.061 0.000 -0.000) 0.061 8.574 ( -0.122 0.000 0.000) 0.122 8.596 ( 4.423 0.000 0.874) 4.508 8.763 ( 0.085 0.000 -1.644) 1.646 8.781 ( -1.371 0.000 1.009) 1.702 8.933 ( 1.887 0.000 -1.750) 2.573 9.024 ( 1.613 0.000 1.380) 2.122 9.049 ( -2.462 0.000 0.730) 2.568 9.182 ( -0.391 0.000 -0.964) 1.041 9.242 ( -3.060 0.000 0.727) 3.146 9.690 ( 1.000 0.000 -0.225) 1.025 9.883 ( -0.288 0.000 -0.227) 0.366 9.954 ( 1.022 0.000 2.053) 2.293 10.003 ( -0.563 0.000 -2.391) 2.457 10.188 ( 0.616 0.000 1.335) 1.470 10.221 ( 2.506 0.000 -0.711) 2.605 10.264 ( 0.120 0.000 -1.803) 1.807 10.355 ( -1.936 0.000 3.036) 3.601 10.523 ( 0.003 0.000 0.023) 0.024 10.574 ( -0.843 0.000 -1.223) 1.486 ======================= Grid point 5 (4/42) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.313 ( 0.000 19.017 0.000) 19.017 0.484 ( 0.000 24.174 0.000) 24.174 0.868 ( 0.000 29.746 0.000) 29.746 0.957 ( 0.000 20.982 0.000) 20.982 0.976 ( 0.000 27.391 0.000) 27.391 1.024 ( 0.000 16.957 0.000) 16.957 1.291 ( 0.000 17.382 0.000) 17.382 1.398 ( 0.000 6.106 0.000) 6.106 1.406 ( 0.000 6.572 0.000) 6.572 1.565 ( 0.000 4.102 0.000) 4.102 1.628 ( 0.000 3.816 0.000) 3.816 1.680 ( 0.000 12.384 0.000) 12.384 1.687 ( 0.000 6.862 0.000) 6.862 1.780 ( 0.000 4.180 0.000) 4.180 1.813 ( 0.000 4.599 0.000) 4.599 1.838 ( 0.000 7.559 0.000) 7.559 1.877 ( 0.000 10.327 0.000) 10.327 1.879 ( 0.000 9.167 0.000) 9.167 1.938 ( 0.000 8.706 0.000) 8.706 1.962 ( 0.000 7.372 0.000) 7.372 2.078 ( 0.000 8.085 0.000) 8.085 2.096 ( 0.000 4.215 0.000) 4.215 2.160 ( 0.000 4.934 0.000) 4.934 2.214 ( 0.000 5.743 0.000) 5.743 2.250 ( 0.000 7.177 0.000) 7.177 2.261 ( 0.000 7.880 0.000) 7.880 2.330 ( 0.000 2.351 0.000) 2.351 2.369 ( 0.000 7.244 0.000) 7.244 2.414 ( 0.000 4.152 0.000) 4.152 2.421 ( 0.000 10.865 0.000) 10.865 2.532 ( 0.000 4.935 0.000) 4.935 2.688 ( 0.000 1.484 0.000) 1.484 2.772 ( 0.000 -0.979 0.000) 0.979 2.948 ( 0.000 -0.729 0.000) 0.729 2.950 ( 0.000 3.240 0.000) 3.240 3.097 ( 0.000 -2.355 0.000) 2.355 3.266 ( 0.000 -1.887 0.000) 1.887 3.407 ( 0.000 0.764 0.000) 0.764 3.740 ( 0.000 -5.576 0.000) 5.576 3.816 ( 0.000 0.892 0.000) 0.892 3.819 ( 0.000 -1.707 0.000) 1.707 3.997 ( 0.000 -5.185 0.000) 5.185 4.070 ( 0.000 -3.101 0.000) 3.101 4.147 ( 0.000 -5.883 0.000) 5.883 4.181 ( 0.000 -4.236 0.000) 4.236 4.336 ( 0.000 -3.318 0.000) 3.318 4.386 ( 0.000 -3.803 0.000) 3.803 4.429 ( 0.000 -3.894 0.000) 3.894 4.567 ( 0.000 -5.271 0.000) 5.271 4.819 ( 0.000 13.719 0.000) 13.719 4.854 ( 0.000 4.986 0.000) 4.986 4.859 ( 0.000 3.291 0.000) 3.291 5.204 ( 0.000 11.830 0.000) 11.830 5.391 ( 0.000 4.541 0.000) 4.541 5.434 ( 0.000 0.971 0.000) 0.971 5.491 ( 0.000 -1.897 0.000) 1.897 5.557 ( 0.000 2.422 0.000) 2.422 5.583 ( 0.000 3.527 0.000) 3.527 5.632 ( 0.000 -0.092 0.000) 0.092 5.666 ( 0.000 0.079 0.000) 0.079 5.744 ( 0.000 2.163 0.000) 2.163 5.771 ( 0.000 -1.948 0.000) 1.948 5.844 ( 0.000 6.048 0.000) 6.048 5.959 ( 0.000 -1.752 0.000) 1.752 5.987 ( 0.000 7.745 0.000) 7.745 6.000 ( 0.000 4.043 0.000) 4.043 6.083 ( 0.000 5.366 0.000) 5.366 6.117 ( 0.000 0.867 0.000) 0.867 6.280 ( 0.000 1.665 0.000) 1.665 6.323 ( 0.000 0.393 0.000) 0.393 6.364 ( 0.000 4.666 0.000) 4.666 6.394 ( 0.000 -2.854 0.000) 2.854 6.552 ( 0.000 3.975 0.000) 3.975 6.570 ( 0.000 1.280 0.000) 1.280 6.775 ( 0.000 2.064 0.000) 2.064 6.805 ( 0.000 -0.551 0.000) 0.551 6.811 ( 0.000 -1.346 0.000) 1.346 6.832 ( 0.000 1.143 0.000) 1.143 6.977 ( 0.000 -9.457 0.000) 9.457 6.985 ( 0.000 -3.593 0.000) 3.593 7.040 ( 0.000 2.064 0.000) 2.064 7.096 ( 0.000 1.676 0.000) 1.676 7.136 ( 0.000 0.454 0.000) 0.454 7.191 ( 0.000 1.657 0.000) 1.657 7.275 ( 0.000 3.799 0.000) 3.799 7.399 ( 0.000 2.438 0.000) 2.438 7.606 ( 0.000 1.685 0.000) 1.685 7.618 ( 0.000 3.374 0.000) 3.374 7.700 ( 0.000 0.124 0.000) 0.124 7.742 ( 0.000 -1.740 0.000) 1.740 7.925 ( 0.000 5.923 0.000) 5.923 7.933 ( 0.000 -4.155 0.000) 4.155 8.020 ( 0.000 5.283 0.000) 5.283 8.122 ( 0.000 -2.176 0.000) 2.176 8.170 ( 0.000 0.040 0.000) 0.040 8.220 ( 0.000 -2.523 0.000) 2.523 8.224 ( 0.000 10.533 0.000) 10.533 8.324 ( 0.000 4.166 0.000) 4.166 8.396 ( 0.000 7.048 0.000) 7.048 8.499 ( 0.000 5.092 0.000) 5.092 8.502 ( 0.000 2.723 0.000) 2.723 8.644 ( 0.000 5.145 0.000) 5.145 8.651 ( 0.000 4.031 0.000) 4.031 8.675 ( 0.000 1.331 0.000) 1.331 8.812 ( 0.000 -2.307 0.000) 2.307 8.890 ( 0.000 -3.049 0.000) 3.049 9.085 ( 0.000 -4.525 0.000) 4.525 9.142 ( 0.000 -3.621 0.000) 3.621 9.264 ( 0.000 2.379 0.000) 2.379 9.355 ( 0.000 -3.845 0.000) 3.845 9.642 ( 0.000 -0.772 0.000) 0.772 9.745 ( 0.000 -1.583 0.000) 1.583 9.948 ( 0.000 -3.029 0.000) 3.029 9.962 ( 0.000 -0.534 0.000) 0.534 10.080 ( 0.000 -2.028 0.000) 2.028 10.082 ( 0.000 -2.927 0.000) 2.927 10.117 ( 0.000 -1.267 0.000) 1.267 10.247 ( 0.000 -2.721 0.000) 2.721 10.489 ( 0.000 -2.942 0.000) 2.942 10.547 ( 0.000 -6.294 0.000) 6.294 ======================= Grid point 6 (5/42) ======================= q-point: ( 0.20 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 16.634 10.973 3.455) 20.225 0.641 ( 14.574 16.854 -0.550) 22.288 0.928 ( 3.210 9.521 -2.732) 10.413 1.030 ( 3.673 20.804 -4.484) 21.596 1.112 ( 11.136 19.587 -2.582) 22.679 1.221 ( 25.410 28.036 -0.315) 37.839 1.280 ( -0.621 17.260 1.401) 17.328 1.315 ( -5.586 6.848 8.213) 12.065 1.397 ( -1.463 5.041 1.439) 5.443 1.505 ( -7.107 5.614 -3.037) 9.552 1.565 ( -5.851 8.211 0.301) 10.086 1.607 ( -5.996 8.246 -0.429) 10.205 1.690 ( -3.357 5.411 -0.208) 6.371 1.783 ( 2.155 9.164 -0.210) 9.417 1.797 ( -2.455 4.668 1.075) 5.383 1.827 ( -2.695 12.069 1.064) 12.412 1.842 ( -6.794 8.079 -2.569) 10.864 1.892 ( -1.247 6.183 1.371) 6.454 1.895 ( -0.488 2.649 -0.110) 2.696 1.938 ( -1.675 8.842 -0.545) 9.015 1.994 ( 0.316 8.040 1.627) 8.209 2.116 ( 2.778 6.852 -3.902) 8.361 2.193 ( -2.432 6.056 1.493) 6.695 2.219 ( -1.404 5.833 -5.933) 8.438 2.247 ( 1.720 6.703 0.267) 6.925 2.277 ( -3.021 3.658 0.011) 4.745 2.308 ( 3.652 3.295 9.936) 11.087 2.391 ( 1.195 5.600 0.716) 5.771 2.424 ( 2.645 10.343 -1.337) 10.759 2.467 ( -8.614 6.385 -2.791) 11.079 2.544 ( 7.294 4.530 -3.242) 9.178 2.665 ( -2.640 3.143 2.746) 4.939 2.734 ( -4.790 3.165 1.385) 5.906 2.788 ( 1.266 2.496 -0.266) 2.811 2.885 ( -6.513 -0.326 -1.240) 6.638 3.189 ( 8.596 -0.481 2.562) 8.982 3.427 ( 2.417 -1.420 -1.717) 3.287 3.544 ( -19.523 2.234 1.009) 19.676 3.567 ( 10.984 -3.524 -3.007) 11.921 3.714 ( -10.762 -0.636 -3.333) 11.285 3.754 ( 3.047 -4.259 3.654) 6.385 3.868 ( -5.966 -3.689 2.771) 7.542 4.043 ( -0.356 -3.684 -0.856) 3.799 4.184 ( -0.380 -5.247 -0.354) 5.272 4.278 ( 4.250 -6.302 -2.755) 8.085 4.388 ( 0.634 -4.683 -2.545) 5.367 4.424 ( 5.679 -4.089 6.205) 9.353 4.462 ( 3.240 -3.625 -1.578) 5.112 4.558 ( -0.873 -4.975 1.141) 5.178 4.817 ( 1.075 11.296 -0.098) 11.347 4.858 ( 0.303 14.857 0.021) 14.860 4.909 ( 4.230 -2.055 -0.713) 4.757 5.201 ( -0.354 11.616 0.213) 11.624 5.356 ( -4.731 10.402 -1.481) 11.523 5.423 ( -1.123 -0.361 0.456) 1.264 5.453 ( 0.438 1.148 0.781) 1.456 5.567 ( -0.928 5.148 -1.627) 5.478 5.594 ( -2.693 7.112 0.256) 7.609 5.629 ( 4.083 0.705 -1.608) 4.445 5.693 ( 2.658 -0.238 0.490) 2.713 5.738 ( 1.065 -1.461 3.562) 3.994 5.770 ( 0.316 -1.382 -0.643) 1.557 5.872 ( 1.916 1.908 0.335) 2.725 5.946 ( -3.122 4.202 0.527) 5.262 5.966 ( -1.080 4.251 0.019) 4.386 5.992 ( 0.913 0.808 0.708) 1.410 6.066 ( -0.707 4.536 -0.024) 4.591 6.136 ( 0.315 1.187 0.477) 1.317 6.203 ( -4.541 6.811 1.282) 8.286 6.308 ( -1.863 1.296 -0.297) 2.289 6.338 ( -1.237 2.400 1.571) 3.124 6.364 ( -0.160 1.787 -1.418) 2.287 6.483 ( -0.498 -0.129 -2.733) 2.782 6.612 ( 1.204 3.171 -3.925) 5.188 6.694 ( -8.124 2.817 -1.317) 8.698 6.732 ( -9.718 -1.047 -0.804) 9.808 6.802 ( 1.082 -3.212 10.915) 11.429 6.841 ( -2.853 -0.363 -1.460) 3.226 6.933 ( -0.204 -0.028 -0.666) 0.697 7.036 ( 0.802 -0.936 0.243) 1.256 7.067 ( 3.058 -2.390 -2.249) 4.486 7.103 ( 1.016 -0.780 2.238) 2.579 7.150 ( 0.720 3.602 0.861) 3.773 7.209 ( -2.008 5.038 -2.358) 5.914 7.277 ( 4.886 -4.476 0.293) 6.633 7.463 ( 3.131 -0.334 2.207) 3.845 7.497 ( -6.820 2.137 -0.471) 7.162 7.615 ( -0.374 2.186 -0.092) 2.220 7.687 ( -0.464 0.895 0.011) 1.009 7.759 ( 1.988 -1.829 0.100) 2.704 7.866 ( -3.667 6.973 0.735) 7.913 7.966 ( -1.306 -2.809 -0.663) 3.168 8.045 ( -0.623 4.240 1.543) 4.555 8.088 ( -0.160 -0.509 -0.983) 1.118 8.199 ( 0.622 2.490 0.426) 2.602 8.225 ( 3.747 1.887 -0.904) 4.292 8.269 ( 2.531 5.878 -2.217) 6.773 8.306 ( 0.369 3.017 1.551) 3.412 8.389 ( -1.849 11.464 -0.296) 11.616 8.469 ( 1.960 4.480 -1.058) 5.003 8.559 ( -2.895 -0.644 3.790) 4.812 8.580 ( 3.208 5.034 -2.936) 6.652 8.657 ( -0.069 7.533 0.005) 7.533 8.749 ( 2.149 -1.588 0.411) 2.704 8.814 ( -1.143 -0.258 1.883) 2.218 8.907 ( 0.158 0.021 -3.134) 3.138 8.977 ( -6.159 5.144 -1.049) 8.092 9.068 ( -3.358 -3.561 1.938) 5.264 9.153 ( -0.411 -3.377 -1.406) 3.681 9.315 ( -5.127 -2.102 -0.667) 5.581 9.661 ( 1.525 -0.620 -0.572) 1.742 9.808 ( 4.601 -2.978 0.902) 5.554 9.926 ( -0.575 -2.080 -0.537) 2.223 10.024 ( -2.983 -1.931 -1.422) 3.827 10.112 ( 4.603 -4.094 0.390) 6.173 10.123 ( 2.396 -3.789 1.644) 4.775 10.217 ( 3.547 -5.795 -0.099) 6.796 10.253 ( 2.545 -4.930 1.760) 5.821 10.489 ( 0.020 -3.080 0.177) 3.085 10.533 ( -1.128 -5.873 -1.312) 6.123 ======================= Grid point 7 (6/42) ======================= q-point: ( 0.40 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 14.296 4.894 -1.096) 15.150 0.903 ( 10.168 7.969 1.347) 12.989 1.003 ( 7.178 8.573 1.312) 11.258 1.094 ( 2.181 19.472 -2.481) 19.750 1.187 ( -3.874 11.741 -2.686) 12.652 1.227 ( -10.048 7.825 -0.516) 12.745 1.289 ( 1.177 14.604 2.402) 14.846 1.370 ( 6.354 7.974 2.725) 10.554 1.405 ( -9.223 12.394 1.119) 15.489 1.420 ( -2.103 9.750 0.212) 9.976 1.523 ( -2.111 4.043 -0.171) 4.564 1.613 ( 0.902 8.231 -2.261) 8.583 1.651 ( -5.538 10.652 1.107) 12.057 1.751 ( 0.216 2.773 -0.161) 2.786 1.783 ( 1.118 12.076 1.050) 12.173 1.790 ( 14.852 10.875 -2.341) 18.556 1.824 ( 0.721 12.641 -0.347) 12.666 1.873 ( -0.795 5.038 0.266) 5.107 1.906 ( 0.691 6.628 0.576) 6.689 1.913 ( 0.358 6.271 -0.344) 6.291 2.028 ( 2.810 7.489 -2.160) 8.286 2.108 ( -2.701 3.365 -0.229) 4.321 2.140 ( -3.710 3.826 -0.310) 5.338 2.165 ( -3.187 4.846 1.053) 5.895 2.195 ( 0.013 8.389 -2.338) 8.709 2.275 ( -5.046 2.851 -0.085) 5.796 2.338 ( -8.487 6.693 2.702) 11.141 2.353 ( -0.046 1.019 3.360) 3.511 2.410 ( 3.660 5.858 1.445) 7.057 2.501 ( -0.819 10.400 3.076) 10.876 2.537 ( 4.740 12.749 -0.598) 13.615 2.628 ( 1.138 8.004 -4.057) 9.046 2.742 ( 1.601 5.383 -5.492) 7.855 2.898 ( 6.914 0.383 0.340) 6.933 2.929 ( 4.395 2.314 0.576) 5.001 3.106 ( -13.441 1.381 4.747) 14.321 3.257 ( -3.560 0.435 4.186) 5.513 3.340 ( -12.788 0.355 -3.670) 13.309 3.532 ( 0.275 0.126 -5.844) 5.852 3.721 ( -4.228 -2.047 3.872) 6.087 3.828 ( 8.904 -3.914 -2.021) 9.934 3.922 ( 5.508 -5.384 1.434) 7.835 4.064 ( 2.638 -5.108 -0.221) 5.753 4.139 ( -3.302 -6.348 2.425) 7.555 4.270 ( -4.529 -6.223 -2.095) 7.977 4.404 ( 3.722 -3.726 -2.815) 5.972 4.468 ( -1.467 -4.578 1.906) 5.172 4.533 ( 0.418 -4.513 0.863) 4.613 4.561 ( 2.588 -4.995 0.513) 5.649 4.847 ( 1.484 14.660 -0.191) 14.736 4.863 ( -0.015 16.098 0.171) 16.099 4.976 ( 2.274 -4.500 -0.291) 5.050 5.199 ( 0.190 12.288 -0.032) 12.290 5.273 ( -2.843 10.965 -0.429) 11.336 5.421 ( 0.184 0.596 0.323) 0.702 5.462 ( 0.199 1.492 0.277) 1.531 5.543 ( -0.733 6.762 -0.244) 6.806 5.569 ( -0.374 5.045 0.068) 5.059 5.718 ( 4.514 -1.069 0.242) 4.645 5.747 ( 0.103 -1.832 0.293) 1.858 5.755 ( 2.080 0.058 0.755) 2.213 5.789 ( 1.440 -1.249 -1.120) 2.211 5.883 ( -0.642 1.587 1.007) 1.987 5.925 ( 0.207 2.104 -1.865) 2.820 5.930 ( -2.046 2.510 1.255) 3.472 6.011 ( 0.601 -0.731 0.611) 1.127 6.043 ( -2.276 2.953 -0.089) 3.729 6.117 ( -0.180 2.199 -0.384) 2.240 6.193 ( 1.115 2.001 0.776) 2.418 6.231 ( -2.958 1.803 -0.487) 3.498 6.373 ( 2.580 0.949 1.990) 3.394 6.403 ( 1.886 4.441 -0.165) 4.828 6.454 ( -2.833 2.678 0.322) 3.912 6.510 ( -4.080 -1.347 -5.361) 6.870 6.570 ( -7.053 -1.516 2.275) 7.565 6.666 ( 3.288 6.207 -0.838) 7.074 6.767 ( -3.398 4.352 -0.232) 5.526 6.870 ( 2.243 -3.690 4.254) 6.062 6.954 ( 1.685 -1.913 -1.375) 2.897 6.995 ( -3.010 -0.153 -0.504) 3.056 7.062 ( -1.244 -0.046 -0.383) 1.302 7.141 ( 1.183 3.661 2.177) 4.421 7.175 ( -0.964 5.433 -1.518) 5.723 7.195 ( 1.935 -0.142 -0.137) 1.945 7.314 ( -0.387 -3.355 -1.099) 3.551 7.405 ( -1.918 -0.069 0.578) 2.005 7.521 ( 1.518 0.128 0.634) 1.650 7.607 ( -0.254 2.190 0.120) 2.208 7.683 ( 0.023 0.936 -0.332) 0.994 7.802 ( 2.111 -0.607 0.473) 2.247 7.821 ( -0.835 5.922 2.112) 6.342 7.887 ( -4.024 -1.581 -3.479) 5.550 8.060 ( 0.688 -1.469 1.751) 2.387 8.102 ( 0.692 3.206 -0.706) 3.355 8.235 ( 2.879 2.481 -0.107) 3.802 8.274 ( 2.108 4.172 -0.970) 4.774 8.277 ( -0.746 5.485 1.200) 5.664 8.335 ( -0.950 5.531 -0.088) 5.613 8.349 ( -0.635 8.343 -1.942) 8.590 8.493 ( -0.294 5.090 0.716) 5.148 8.568 ( 3.480 -2.577 1.281) 4.516 8.629 ( 1.634 9.432 -1.196) 9.647 8.655 ( -0.101 7.727 0.051) 7.727 8.726 ( -2.507 -4.161 -0.100) 4.859 8.776 ( -1.965 1.429 0.901) 2.592 8.906 ( 1.224 -2.099 -2.361) 3.388 8.985 ( 1.722 -3.488 0.807) 3.972 9.017 ( -2.338 -2.829 1.343) 3.909 9.147 ( -0.080 -3.253 -0.890) 3.374 9.232 ( -2.904 -0.668 0.555) 3.032 9.687 ( 1.137 -0.240 -0.285) 1.197 9.849 ( 0.167 -3.424 0.048) 3.428 9.941 ( 0.830 -1.182 1.875) 2.367 9.981 ( -0.653 -2.043 -2.366) 3.194 10.148 ( 0.531 -3.705 0.881) 3.845 10.183 ( 2.802 -3.718 0.131) 4.657 10.219 ( -0.641 -3.919 -1.413) 4.215 10.292 ( 0.164 -5.312 1.566) 5.541 10.490 ( -0.021 -3.122 0.099) 3.124 10.513 ( -0.487 -5.319 -0.630) 5.378 ======================= Grid point 10 (7/42) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 0.000 22.126 0.000) 22.126 0.952 ( 0.000 22.477 0.000) 22.477 1.112 ( 0.000 12.322 0.000) 12.322 1.316 ( 0.000 11.323 0.000) 11.323 1.443 ( 0.000 16.485 0.000) 16.485 1.498 ( 0.000 5.268 0.000) 5.268 1.554 ( 0.000 10.661 0.000) 10.661 1.664 ( 0.000 18.126 0.000) 18.126 1.681 ( 0.000 16.519 0.000) 16.519 1.711 ( 0.000 4.897 0.000) 4.897 1.765 ( 0.000 21.874 0.000) 21.874 1.809 ( 0.000 2.348 0.000) 2.348 1.855 ( 0.000 11.307 0.000) 11.307 1.894 ( 0.000 7.986 0.000) 7.986 2.007 ( 0.000 13.209 0.000) 13.209 2.032 ( 0.000 10.483 0.000) 10.483 2.046 ( 0.000 8.092 0.000) 8.092 2.132 ( 0.000 8.971 0.000) 8.971 2.173 ( 0.000 12.423 0.000) 12.423 2.180 ( 0.000 10.551 0.000) 10.551 2.214 ( 0.000 6.963 0.000) 6.963 2.270 ( 0.000 12.102 0.000) 12.102 2.288 ( 0.000 8.763 0.000) 8.763 2.359 ( 0.000 8.350 0.000) 8.350 2.403 ( 0.000 5.390 0.000) 5.390 2.445 ( 0.000 9.694 0.000) 9.694 2.457 ( 0.000 15.227 0.000) 15.227 2.474 ( 0.000 3.976 0.000) 3.976 2.592 ( 0.000 13.435 0.000) 13.435 2.670 ( 0.000 5.582 0.000) 5.582 2.710 ( 0.000 9.666 0.000) 9.666 2.813 ( 0.000 10.975 0.000) 10.975 2.820 ( 0.000 10.889 0.000) 10.889 2.961 ( 0.000 4.277 0.000) 4.277 3.016 ( 0.000 -2.494 0.000) 2.494 3.101 ( 0.000 10.244 0.000) 10.244 3.244 ( 0.000 1.714 0.000) 1.714 3.450 ( 0.000 3.750 0.000) 3.750 3.602 ( 0.000 -7.570 0.000) 7.570 3.770 ( 0.000 -3.597 0.000) 3.597 3.828 ( 0.000 -0.952 0.000) 0.952 3.853 ( 0.000 -8.815 0.000) 8.815 3.998 ( 0.000 -3.900 0.000) 3.900 4.008 ( 0.000 -6.845 0.000) 6.845 4.096 ( 0.000 -2.732 0.000) 2.732 4.271 ( 0.000 -2.709 0.000) 2.709 4.294 ( 0.000 -3.685 0.000) 3.685 4.376 ( 0.000 -1.715 0.000) 1.715 4.450 ( 0.000 -5.713 0.000) 5.713 4.726 ( 0.000 -7.567 0.000) 7.567 5.121 ( 0.000 15.272 0.000) 15.272 5.152 ( 0.000 14.004 0.000) 14.004 5.381 ( 0.000 3.867 0.000) 3.867 5.426 ( 0.000 -1.136 0.000) 1.136 5.490 ( 0.000 4.965 0.000) 4.965 5.522 ( 0.000 5.885 0.000) 5.885 5.579 ( 0.000 2.342 0.000) 2.342 5.621 ( 0.000 0.630 0.000) 0.630 5.698 ( 0.000 2.884 0.000) 2.884 5.704 ( 0.000 2.495 0.000) 2.495 5.782 ( 0.000 5.216 0.000) 5.216 5.797 ( 0.000 3.263 0.000) 3.263 5.906 ( 0.000 -2.071 0.000) 2.071 5.991 ( 0.000 5.723 0.000) 5.723 6.041 ( 0.000 -1.700 0.000) 1.700 6.053 ( 0.000 0.523 0.000) 0.523 6.154 ( 0.000 2.372 0.000) 2.372 6.172 ( 0.000 3.480 0.000) 3.480 6.328 ( 0.000 0.302 0.000) 0.302 6.392 ( 0.000 5.181 0.000) 5.181 6.415 ( 0.000 5.677 0.000) 5.677 6.490 ( 0.000 7.604 0.000) 7.604 6.563 ( 0.000 -1.334 0.000) 1.334 6.637 ( 0.000 6.099 0.000) 6.099 6.743 ( 0.000 -7.649 0.000) 7.649 6.787 ( 0.000 -0.177 0.000) 0.177 6.792 ( 0.000 -3.620 0.000) 3.620 6.828 ( 0.000 1.169 0.000) 1.169 6.867 ( 0.000 1.350 0.000) 1.350 6.954 ( 0.000 1.908 0.000) 1.908 7.092 ( 0.000 3.057 0.000) 3.057 7.104 ( 0.000 0.278 0.000) 0.278 7.214 ( 0.000 5.545 0.000) 5.545 7.237 ( 0.000 2.897 0.000) 2.897 7.371 ( 0.000 4.366 0.000) 4.366 7.431 ( 0.000 1.716 0.000) 1.716 7.627 ( 0.000 -0.924 0.000) 0.924 7.722 ( 0.000 5.614 0.000) 5.614 7.729 ( 0.000 2.098 0.000) 2.098 7.770 ( 0.000 6.690 0.000) 6.690 7.871 ( 0.000 -1.337 0.000) 1.337 8.033 ( 0.000 4.610 0.000) 4.610 8.058 ( 0.000 -1.736 0.000) 1.736 8.161 ( 0.000 0.722 0.000) 0.722 8.174 ( 0.000 2.329 0.000) 2.329 8.216 ( 0.000 3.595 0.000) 3.595 8.358 ( 0.000 0.720 0.000) 0.720 8.428 ( 0.000 6.435 0.000) 6.435 8.495 ( 0.000 1.104 0.000) 1.104 8.590 ( 0.000 7.904 0.000) 7.904 8.614 ( 0.000 5.406 0.000) 5.406 8.642 ( 0.000 3.779 0.000) 3.779 8.748 ( 0.000 -3.605 0.000) 3.605 8.789 ( 0.000 -0.370 0.000) 0.370 8.794 ( 0.000 6.483 0.000) 6.483 8.859 ( 0.000 3.252 0.000) 3.252 8.983 ( 0.000 -4.427 0.000) 4.427 9.067 ( 0.000 -0.559 0.000) 0.559 9.284 ( 0.000 -2.750 0.000) 2.750 9.330 ( 0.000 4.280 0.000) 4.280 9.623 ( 0.000 -1.328 0.000) 1.328 9.703 ( 0.000 -2.310 0.000) 2.310 9.869 ( 0.000 -4.593 0.000) 4.593 9.948 ( 0.000 -0.823 0.000) 0.823 10.007 ( 0.000 -4.207 0.000) 4.207 10.029 ( 0.000 -2.877 0.000) 2.877 10.084 ( 0.000 -1.939 0.000) 1.939 10.174 ( 0.000 -4.385 0.000) 4.385 10.408 ( 0.000 -6.906 0.000) 6.906 10.411 ( 0.000 -4.621 0.000) 4.621 ======================= Grid point 11 (8/42) ======================= q-point: ( 0.20 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 8.952 18.565 3.516) 20.908 1.009 ( 6.007 19.052 -0.797) 19.993 1.115 ( 0.449 10.881 -3.716) 11.507 1.326 ( 1.022 9.594 1.940) 9.841 1.455 ( 1.755 13.317 -2.793) 13.719 1.489 ( -2.017 5.553 1.111) 6.011 1.559 ( -5.221 11.314 -1.824) 12.593 1.582 ( 0.393 10.475 2.159) 10.702 1.653 ( -3.264 8.745 2.460) 9.653 1.722 ( -1.829 12.016 -0.782) 12.180 1.806 ( 4.970 18.826 -1.204) 19.508 1.824 ( -3.062 9.019 -0.959) 9.573 1.839 ( -3.207 6.668 1.006) 7.467 1.897 ( -1.558 6.671 0.678) 6.884 1.942 ( 1.982 11.839 1.189) 12.063 2.018 ( -0.698 12.900 -3.066) 13.277 2.060 ( -4.045 11.505 -0.614) 12.210 2.088 ( -0.907 12.213 -0.324) 12.250 2.116 ( -5.307 9.371 -1.664) 10.897 2.140 ( 0.391 12.956 0.021) 12.962 2.240 ( -0.007 5.566 -0.691) 5.609 2.248 ( -0.368 12.674 2.478) 12.919 2.306 ( -0.135 4.426 0.771) 4.494 2.342 ( -1.531 11.094 0.921) 11.237 2.379 ( -3.404 6.565 0.451) 7.409 2.409 ( -4.164 6.016 3.948) 8.314 2.463 ( 2.322 14.267 1.008) 14.490 2.519 ( 1.806 7.612 -2.919) 8.351 2.594 ( -2.950 9.990 1.866) 10.582 2.699 ( 7.771 6.679 -4.481) 11.184 2.766 ( 4.592 13.187 -2.477) 14.181 2.792 ( -0.001 11.681 4.239) 12.426 2.834 ( 1.149 9.854 -1.074) 9.979 2.909 ( -1.919 8.922 0.083) 9.126 2.946 ( -0.847 9.231 -1.097) 9.335 3.216 ( 6.340 4.795 2.416) 8.308 3.381 ( 6.879 -2.661 -0.316) 7.382 3.519 ( 4.733 0.174 -3.676) 5.996 3.607 ( -9.165 -1.727 -0.716) 9.354 3.649 ( -2.861 0.623 2.118) 3.614 3.716 ( -7.406 0.006 -0.007) 7.406 3.769 ( -3.025 -5.941 1.951) 6.946 3.974 ( -2.044 -3.511 -0.556) 4.101 4.027 ( -1.254 -9.717 1.064) 9.856 4.132 ( 2.092 -6.829 -1.610) 7.321 4.290 ( 0.422 -4.314 -3.878) 5.816 4.332 ( 3.490 -4.615 4.771) 7.500 4.394 ( 2.015 -2.886 -1.076) 3.681 4.449 ( -0.235 -5.272 0.837) 5.343 4.765 ( 3.768 -7.293 -0.233) 8.212 5.138 ( 1.550 14.462 -0.362) 14.549 5.163 ( 1.135 13.961 0.258) 14.010 5.389 ( 0.773 4.591 -0.337) 4.668 5.425 ( 0.376 0.813 -0.120) 0.904 5.499 ( 0.442 4.556 2.810) 5.371 5.519 ( 0.228 7.291 -2.501) 7.711 5.609 ( 2.651 -0.007 -0.763) 2.758 5.651 ( 2.662 1.967 -0.146) 3.313 5.711 ( 1.475 2.502 1.021) 3.079 5.732 ( 2.071 3.694 0.897) 4.329 5.758 ( -1.230 3.602 -0.256) 3.815 5.786 ( -1.162 4.255 -0.186) 4.415 5.912 ( 0.305 -1.300 -0.366) 1.385 5.971 ( -2.020 4.140 0.374) 4.622 6.010 ( -2.619 0.970 0.917) 2.939 6.042 ( -1.937 -0.261 -1.353) 2.377 6.135 ( -2.153 2.216 0.524) 3.134 6.168 ( -0.589 2.269 -0.103) 2.347 6.326 ( 0.293 3.014 -1.063) 3.209 6.359 ( -4.565 2.665 1.722) 5.559 6.402 ( -3.228 6.190 1.072) 7.063 6.454 ( 0.499 8.411 -1.337) 8.532 6.511 ( -1.927 0.312 -1.435) 2.422 6.596 ( -4.342 -2.145 -1.052) 4.955 6.698 ( -0.221 2.947 0.263) 2.967 6.793 ( 2.685 1.349 4.015) 5.014 6.817 ( -4.312 4.709 -0.652) 6.418 6.885 ( 1.160 2.655 -0.297) 2.913 6.964 ( 1.858 1.332 -1.455) 2.710 6.984 ( 3.677 -3.195 -0.216) 4.876 7.010 ( 4.652 -1.597 1.629) 5.181 7.106 ( -2.952 1.355 -1.917) 3.772 7.175 ( -2.643 1.989 1.343) 3.570 7.268 ( 0.967 2.468 -0.459) 2.690 7.322 ( -1.881 5.046 -0.006) 5.385 7.456 ( -0.493 -0.227 1.521) 1.615 7.558 ( -4.339 1.987 -0.614) 4.812 7.699 ( -1.616 4.903 -0.710) 5.211 7.748 ( 1.073 5.256 -0.687) 5.408 7.771 ( 0.950 4.158 0.619) 4.310 7.902 ( 0.359 -2.330 0.805) 2.491 7.978 ( -2.354 3.114 -1.665) 4.243 8.059 ( -2.629 0.717 1.533) 3.127 8.161 ( 0.602 -1.136 -1.814) 2.223 8.181 ( 0.665 2.964 2.383) 3.860 8.275 ( 5.816 2.826 -2.425) 6.906 8.342 ( -0.710 1.613 0.369) 1.800 8.451 ( 2.275 6.118 -0.876) 6.586 8.509 ( -0.414 0.356 2.462) 2.522 8.573 ( -1.189 6.043 -0.479) 6.178 8.631 ( 1.911 7.016 -0.272) 7.277 8.650 ( 1.702 3.115 -2.327) 4.245 8.717 ( -4.561 -0.616 1.203) 4.757 8.796 ( 1.203 0.741 1.275) 1.903 8.808 ( 1.759 1.985 -0.577) 2.714 8.887 ( 2.356 2.694 0.671) 3.641 8.979 ( -0.775 -2.852 1.396) 3.269 9.055 ( -1.140 0.025 -2.316) 2.582 9.187 ( -9.492 7.915 1.963) 12.514 9.280 ( -2.562 -0.815 -1.991) 3.346 9.646 ( 2.190 -1.079 -0.711) 2.543 9.731 ( 2.086 -4.210 0.890) 4.782 9.868 ( 1.013 -3.597 -0.139) 3.739 9.977 ( -2.179 -2.417 -0.472) 3.288 10.020 ( 4.277 -4.026 0.146) 5.876 10.040 ( 1.194 -4.304 1.019) 4.582 10.127 ( 3.233 -3.560 -0.764) 4.869 10.165 ( -0.746 -4.700 0.405) 4.776 10.398 ( -0.602 -6.172 0.080) 6.202 10.415 ( -0.031 -5.032 -0.158) 5.035 ======================= Grid point 12 (9/42) ======================= q-point: ( 0.40 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 8.108 13.819 -0.214) 16.023 1.067 ( 3.436 10.055 3.410) 11.159 1.198 ( 7.576 10.272 -1.899) 12.904 1.329 ( -10.094 8.938 -4.416) 14.187 1.360 ( 0.201 7.495 1.997) 7.759 1.486 ( 0.710 9.852 -5.767) 11.438 1.511 ( -0.140 8.073 7.493) 11.015 1.583 ( -4.852 6.409 -1.612) 8.198 1.643 ( 2.502 12.653 4.714) 13.733 1.684 ( 1.519 12.890 -3.460) 13.433 1.718 ( -5.390 15.665 -0.121) 16.567 1.762 ( -3.824 5.348 -0.703) 6.612 1.844 ( -0.488 11.279 1.164) 11.349 1.901 ( 0.195 3.394 1.343) 3.655 1.924 ( -3.633 9.439 0.236) 10.117 1.966 ( -0.236 3.993 -0.997) 4.122 2.018 ( -1.686 9.517 -0.165) 9.666 2.052 ( -1.587 10.365 -1.671) 10.618 2.162 ( 2.329 13.104 -1.964) 13.453 2.165 ( -0.410 14.843 0.242) 14.851 2.210 ( 0.476 6.922 0.093) 6.939 2.230 ( -1.163 7.853 0.335) 7.946 2.284 ( -2.282 8.802 3.889) 9.890 2.303 ( -1.075 8.912 -0.106) 8.978 2.322 ( 3.494 12.083 -4.191) 13.258 2.388 ( -1.899 8.215 1.436) 8.553 2.504 ( -1.649 11.471 1.437) 11.678 2.545 ( 3.980 13.584 -0.153) 14.156 2.603 ( 4.139 13.805 0.954) 14.444 2.740 ( -6.190 13.307 3.176) 15.016 2.826 ( 3.716 9.976 -3.185) 11.112 2.832 ( 1.189 13.218 0.691) 13.290 2.900 ( 5.951 1.123 -2.134) 6.422 2.938 ( 6.359 14.884 -1.593) 16.263 3.039 ( 8.318 8.528 0.410) 11.920 3.198 ( -11.919 8.711 2.168) 14.922 3.307 ( -7.473 4.942 1.054) 9.021 3.393 ( -8.185 6.204 -0.855) 10.306 3.555 ( 3.386 2.412 -3.855) 5.669 3.662 ( -1.485 -3.061 2.867) 4.449 3.739 ( 4.357 -5.315 -0.063) 6.872 3.801 ( 5.434 -5.677 0.031) 7.859 3.935 ( -2.008 -8.057 0.074) 8.304 3.972 ( -3.354 -8.857 0.995) 9.523 4.122 ( -2.207 -7.069 -0.781) 7.446 4.311 ( 2.836 -5.406 -2.927) 6.770 4.364 ( -1.130 -5.339 2.847) 6.155 4.437 ( 1.812 -4.761 -1.847) 5.419 4.448 ( 0.162 -5.214 1.902) 5.553 4.831 ( 2.409 -7.946 -0.106) 8.304 5.160 ( 0.638 13.035 -0.190) 13.052 5.185 ( 0.827 13.868 0.167) 13.893 5.405 ( 0.837 4.883 -0.135) 4.956 5.437 ( 0.609 4.027 -0.335) 4.086 5.516 ( 0.634 5.771 1.660) 6.038 5.518 ( -0.094 8.990 -1.106) 9.058 5.652 ( 2.342 1.570 -2.259) 3.613 5.685 ( -0.609 2.678 1.601) 3.179 5.730 ( 0.110 5.093 0.424) 5.112 5.741 ( 0.491 1.747 0.095) 1.817 5.772 ( 2.136 1.755 0.233) 2.775 5.808 ( 2.465 5.321 0.220) 5.868 5.889 ( -1.821 0.824 0.925) 2.203 5.941 ( -1.015 -2.919 -1.390) 3.388 5.964 ( -4.037 -0.700 -1.165) 4.260 5.981 ( -1.291 3.299 1.465) 3.834 6.100 ( -1.143 2.180 0.385) 2.492 6.154 ( -0.517 1.823 -0.456) 1.949 6.267 ( -3.675 4.841 0.540) 6.102 6.320 ( -0.645 3.897 -0.193) 3.955 6.396 ( 2.066 2.436 1.265) 3.436 6.449 ( -3.209 0.083 -2.728) 4.213 6.489 ( 1.899 5.136 -0.133) 5.477 6.553 ( -1.322 5.316 0.614) 5.512 6.672 ( -2.360 7.204 0.288) 7.586 6.791 ( 3.088 3.934 0.386) 5.016 6.850 ( 1.684 2.758 0.134) 3.234 6.863 ( -2.188 4.958 0.164) 5.422 6.933 ( -1.019 0.091 0.111) 1.029 7.030 ( -3.201 3.167 -0.591) 4.542 7.069 ( -0.330 0.936 0.341) 1.049 7.102 ( 3.868 -4.110 1.096) 5.750 7.168 ( 1.627 -4.866 -0.356) 5.143 7.253 ( -0.902 2.526 -0.301) 2.699 7.317 ( -0.511 4.431 -2.375) 5.053 7.430 ( -0.573 1.898 3.528) 4.047 7.525 ( -0.324 -0.415 -1.290) 1.393 7.676 ( -0.629 4.759 -0.229) 4.806 7.751 ( 0.058 5.327 -0.389) 5.341 7.798 ( 1.249 2.081 0.749) 2.540 7.857 ( -3.413 -0.347 -0.916) 3.551 7.955 ( -0.648 4.612 0.601) 4.696 8.031 ( -0.393 -0.431 0.288) 0.651 8.170 ( 0.583 0.117 -1.336) 1.462 8.211 ( 2.204 -2.327 0.883) 3.325 8.319 ( -1.355 4.625 -1.545) 5.061 8.373 ( 2.376 3.501 1.267) 4.417 8.491 ( 2.000 3.407 -2.599) 4.729 8.500 ( 0.821 -1.546 3.360) 3.789 8.561 ( -0.115 9.640 -1.065) 9.699 8.614 ( -4.784 -3.208 0.964) 5.840 8.657 ( 0.727 8.367 -0.184) 8.401 8.719 ( 4.249 0.750 -2.997) 5.254 8.798 ( -1.476 -0.490 3.596) 3.918 8.849 ( 2.460 4.747 0.130) 5.348 8.919 ( -4.260 1.040 -0.496) 4.413 8.937 ( 1.179 2.505 -0.088) 2.770 9.023 ( -1.032 7.619 -1.323) 7.801 9.082 ( -1.843 -0.768 0.780) 2.143 9.230 ( -1.973 0.708 0.074) 2.098 9.685 ( 1.755 -0.055 -0.708) 1.893 9.751 ( 0.006 -6.035 0.634) 6.068 9.905 ( 1.848 -2.865 1.375) 3.676 9.934 ( -1.632 -2.032 -1.726) 3.126 10.058 ( 0.646 -4.873 0.394) 4.931 10.090 ( 2.865 -4.829 0.276) 5.622 10.132 ( -1.527 -4.580 -0.600) 4.865 10.178 ( 0.881 -5.627 0.324) 5.705 10.391 ( -0.165 -6.210 0.006) 6.212 10.412 ( -0.163 -4.651 -0.051) 4.654 ======================= Grid point 15 (10/42) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 0.000 19.998 0.000) 19.998 1.365 ( 0.000 18.546 0.000) 18.546 1.367 ( 0.000 12.037 0.000) 12.037 1.502 ( 0.000 7.544 0.000) 7.544 1.616 ( 0.000 7.859 0.000) 7.859 1.688 ( 0.000 9.923 0.000) 9.923 1.727 ( 0.000 6.283 0.000) 6.283 1.760 ( 0.000 1.970 0.000) 1.970 1.875 ( 0.000 4.286 0.000) 4.286 1.903 ( 0.000 11.127 0.000) 11.127 1.917 ( 0.000 7.265 0.000) 7.265 1.983 ( 0.000 4.564 0.000) 4.564 2.070 ( 0.000 7.855 0.000) 7.855 2.087 ( 0.000 3.737 0.000) 3.737 2.150 ( 0.000 2.899 0.000) 2.899 2.194 ( 0.000 9.103 0.000) 9.103 2.245 ( 0.000 4.242 0.000) 4.242 2.263 ( 0.000 4.010 0.000) 4.010 2.391 ( 0.000 5.401 0.000) 5.401 2.395 ( 0.000 7.483 0.000) 7.483 2.419 ( 0.000 7.514 0.000) 7.514 2.422 ( 0.000 5.373 0.000) 5.373 2.489 ( 0.000 2.326 0.000) 2.326 2.496 ( 0.000 10.791 0.000) 10.791 2.549 ( 0.000 17.443 0.000) 17.443 2.584 ( 0.000 6.994 0.000) 6.994 2.641 ( 0.000 7.590 0.000) 7.590 2.726 ( 0.000 5.398 0.000) 5.398 2.758 ( 0.000 1.311 0.000) 1.311 2.850 ( 0.000 11.309 0.000) 11.309 2.927 ( 0.000 12.891 0.000) 12.891 2.937 ( 0.000 6.361 0.000) 6.361 3.013 ( 0.000 4.765 0.000) 4.765 3.034 ( 0.000 4.659 0.000) 4.659 3.124 ( 0.000 12.167 0.000) 12.167 3.446 ( 0.000 19.481 0.000) 19.481 3.447 ( 0.000 10.899 0.000) 10.899 3.513 ( 0.000 7.448 0.000) 7.448 3.547 ( 0.000 5.010 0.000) 5.010 3.638 ( 0.000 -8.465 0.000) 8.465 3.693 ( 0.000 -5.492 0.000) 5.492 3.731 ( 0.000 -7.364 0.000) 7.364 3.912 ( 0.000 -3.675 0.000) 3.675 3.944 ( 0.000 1.583 0.000) 1.583 4.145 ( 0.000 6.960 0.000) 6.960 4.241 ( 0.000 -0.273 0.000) 0.273 4.295 ( 0.000 4.155 0.000) 4.155 4.353 ( 0.000 -0.684 0.000) 0.684 4.363 ( 0.000 -2.550 0.000) 2.550 4.581 ( 0.000 -5.844 0.000) 5.844 5.339 ( 0.000 4.955 0.000) 4.955 5.365 ( 0.000 7.343 0.000) 7.343 5.434 ( 0.000 2.372 0.000) 2.372 5.437 ( 0.000 4.022 0.000) 4.022 5.550 ( 0.000 2.162 0.000) 2.162 5.631 ( 0.000 0.788 0.000) 0.788 5.673 ( 0.000 7.065 0.000) 7.065 5.686 ( 0.000 6.354 0.000) 6.354 5.767 ( 0.000 4.705 0.000) 4.705 5.776 ( 0.000 4.932 0.000) 4.932 5.847 ( 0.000 0.691 0.000) 0.691 5.864 ( 0.000 1.685 0.000) 1.685 5.871 ( 0.000 -1.375 0.000) 1.375 6.020 ( 0.000 -1.212 0.000) 1.212 6.035 ( 0.000 2.918 0.000) 2.918 6.083 ( 0.000 3.574 0.000) 3.574 6.196 ( 0.000 1.366 0.000) 1.366 6.237 ( 0.000 2.996 0.000) 2.996 6.320 ( 0.000 -1.802 0.000) 1.802 6.409 ( 0.000 -2.915 0.000) 2.915 6.532 ( 0.000 7.543 0.000) 7.543 6.548 ( 0.000 1.406 0.000) 1.406 6.598 ( 0.000 -5.307 0.000) 5.307 6.617 ( 0.000 1.282 0.000) 1.282 6.742 ( 0.000 -0.167 0.000) 0.167 6.824 ( 0.000 2.292 0.000) 2.292 6.830 ( 0.000 7.672 0.000) 7.672 6.876 ( 0.000 6.960 0.000) 6.960 6.926 ( 0.000 5.661 0.000) 5.661 7.022 ( 0.000 3.845 0.000) 3.845 7.125 ( 0.000 1.645 0.000) 1.645 7.146 ( 0.000 1.997 0.000) 1.997 7.309 ( 0.000 4.351 0.000) 4.351 7.317 ( 0.000 4.716 0.000) 4.716 7.424 ( 0.000 0.712 0.000) 0.712 7.471 ( 0.000 1.831 0.000) 1.831 7.605 ( 0.000 -0.327 0.000) 0.327 7.788 ( 0.000 1.006 0.000) 1.006 7.790 ( 0.000 3.829 0.000) 3.829 7.885 ( 0.000 1.529 0.000) 1.529 7.945 ( 0.000 9.295 0.000) 9.295 8.042 ( 0.000 0.503 0.000) 0.503 8.118 ( 0.000 3.730 0.000) 3.730 8.130 ( 0.000 -0.526 0.000) 0.526 8.237 ( 0.000 -1.802 0.000) 1.802 8.244 ( 0.000 2.342 0.000) 2.342 8.399 ( 0.000 1.019 0.000) 1.019 8.448 ( 0.000 0.915 0.000) 0.915 8.518 ( 0.000 -0.109 0.000) 0.109 8.653 ( 0.000 -2.666 0.000) 2.666 8.677 ( 0.000 -0.097 0.000) 0.097 8.731 ( 0.000 -1.045 0.000) 1.045 8.765 ( 0.000 6.375 0.000) 6.375 8.827 ( 0.000 8.589 0.000) 8.589 8.833 ( 0.000 -0.359 0.000) 0.359 8.897 ( 0.000 4.823 0.000) 4.823 9.001 ( 0.000 5.535 0.000) 5.535 9.217 ( 0.000 11.224 0.000) 11.224 9.253 ( 0.000 0.007 0.000) 0.007 9.428 ( 0.000 4.965 0.000) 4.965 9.566 ( 0.000 -4.442 0.000) 4.442 9.678 ( 0.000 0.126 0.000) 0.126 9.776 ( 0.000 -4.361 0.000) 4.361 9.922 ( 0.000 -2.946 0.000) 2.946 9.935 ( 0.000 -1.524 0.000) 1.524 9.972 ( 0.000 -2.724 0.000) 2.724 10.045 ( 0.000 -1.851 0.000) 1.851 10.082 ( 0.000 -4.618 0.000) 4.618 10.284 ( 0.000 -5.459 0.000) 5.459 10.315 ( 0.000 -4.886 0.000) 4.886 ======================= Grid point 16 (11/42) ======================= q-point: ( 0.20 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 4.087 18.113 2.284) 18.709 1.344 ( -2.137 11.307 -2.156) 11.707 1.371 ( 1.147 16.464 0.059) 16.504 1.504 ( -0.401 8.235 0.692) 8.274 1.607 ( -0.035 6.803 -1.101) 6.891 1.666 ( -1.734 8.174 -0.414) 8.366 1.693 ( -5.744 5.583 -3.198) 8.625 1.755 ( 1.612 6.461 3.986) 7.761 1.823 ( -3.842 6.325 1.192) 7.495 1.904 ( -1.127 6.692 0.694) 6.822 1.918 ( -2.103 5.557 -3.187) 6.743 1.965 ( -1.286 4.473 1.026) 4.766 2.021 ( -2.566 6.660 -1.761) 7.351 2.089 ( -1.786 7.288 -0.672) 7.534 2.103 ( -3.932 6.659 0.403) 7.743 2.162 ( -2.216 5.117 0.059) 5.577 2.246 ( -1.616 6.743 1.933) 7.198 2.260 ( -3.164 2.092 0.467) 3.821 2.303 ( 1.414 5.645 0.601) 5.851 2.344 ( -4.262 7.732 0.716) 8.858 2.388 ( -4.171 4.866 2.293) 6.807 2.439 ( -2.115 5.929 -0.115) 6.296 2.461 ( -4.990 3.311 -0.450) 6.006 2.488 ( -5.089 4.275 -1.876) 6.906 2.580 ( 4.916 19.682 -0.544) 20.294 2.586 ( 2.982 6.449 -0.018) 7.105 2.640 ( 5.445 7.718 -0.780) 9.478 2.759 ( 4.944 6.242 -6.161) 10.068 2.806 ( -0.704 8.980 5.076) 10.340 2.867 ( 2.751 13.740 1.318) 14.074 2.954 ( 5.142 10.381 0.731) 11.608 2.994 ( 2.731 3.745 0.747) 4.695 3.068 ( 1.911 8.749 -1.904) 9.156 3.088 ( 6.763 8.443 0.227) 10.820 3.167 ( 3.797 10.433 0.451) 11.112 3.441 ( -0.239 13.982 -1.722) 14.090 3.455 ( -0.401 12.188 -0.554) 12.207 3.517 ( 2.128 0.046 1.571) 2.645 3.586 ( 2.477 4.668 -1.210) 5.421 3.623 ( -1.337 -4.760 1.809) 5.264 3.696 ( -0.370 -4.180 -0.098) 4.197 3.721 ( -0.282 -2.686 -0.342) 2.723 3.863 ( -3.790 -2.524 0.020) 4.554 3.917 ( -3.880 2.919 0.366) 4.870 4.122 ( -1.972 6.423 -0.795) 6.765 4.247 ( 0.041 -0.027 -0.603) 0.605 4.271 ( -1.404 -0.065 1.087) 1.776 4.350 ( 0.294 -1.514 0.095) 1.545 4.371 ( 0.555 -2.129 -0.137) 2.204 4.622 ( 3.315 -6.035 -0.030) 6.885 5.335 ( -0.357 5.144 -0.079) 5.157 5.373 ( 0.608 6.406 0.245) 6.439 5.436 ( 1.419 2.399 -0.973) 2.952 5.472 ( 2.300 3.833 -0.449) 4.492 5.564 ( 1.035 1.858 1.689) 2.716 5.613 ( -0.159 2.306 -1.109) 2.563 5.676 ( 0.868 4.212 1.443) 4.536 5.730 ( 2.085 5.679 -0.084) 6.050 5.766 ( -0.026 3.911 2.349) 4.562 5.792 ( 0.803 3.223 -2.165) 3.964 5.848 ( 1.035 1.801 -0.550) 2.149 5.862 ( 0.565 3.729 -0.293) 3.783 5.872 ( 0.438 -0.686 -0.290) 0.865 6.010 ( -2.156 0.137 0.195) 2.169 6.041 ( 0.486 2.755 -1.427) 3.140 6.070 ( -0.839 4.703 1.587) 5.033 6.187 ( -1.074 2.654 -0.058) 2.864 6.221 ( -0.970 2.997 0.186) 3.155 6.334 ( 0.401 0.203 0.497) 0.670 6.433 ( 2.482 -3.124 -1.449) 4.245 6.466 ( -4.892 5.388 0.536) 7.297 6.528 ( -3.024 4.123 0.836) 5.181 6.600 ( 0.370 4.418 -0.850) 4.514 6.613 ( 1.141 -0.568 -0.669) 1.440 6.767 ( 0.879 -0.119 1.159) 1.459 6.814 ( -0.275 4.489 1.915) 4.888 6.863 ( 2.281 -0.480 -1.684) 2.875 6.920 ( 2.310 4.006 -0.200) 4.629 6.962 ( 4.053 3.828 0.021) 5.575 7.005 ( -0.908 3.507 -0.437) 3.649 7.099 ( -1.475 6.177 1.713) 6.578 7.129 ( -1.782 0.792 -2.477) 3.152 7.243 ( -6.112 3.909 0.801) 7.300 7.318 ( -0.618 2.929 0.855) 3.113 7.416 ( -0.113 2.662 2.551) 3.688 7.450 ( -1.791 0.469 -2.340) 2.984 7.572 ( -2.609 0.349 -1.199) 2.892 7.784 ( -0.483 3.205 -1.446) 3.549 7.835 ( 2.646 2.382 0.047) 3.560 7.870 ( -0.710 2.992 1.893) 3.611 7.942 ( -1.076 7.474 -0.410) 7.562 8.002 ( -2.864 0.862 -0.192) 2.997 8.101 ( -1.235 1.102 1.749) 2.408 8.135 ( -0.608 1.818 -1.185) 2.254 8.219 ( -1.666 0.641 1.223) 2.164 8.278 ( 3.581 -2.475 0.149) 4.356 8.402 ( 0.905 2.231 -2.062) 3.170 8.453 ( 0.503 -1.362 -0.829) 1.672 8.542 ( 1.181 0.880 -1.260) 1.938 8.626 ( -1.807 -0.325 0.095) 1.839 8.644 ( -2.692 -1.345 2.615) 3.987 8.731 ( -0.203 -0.897 1.590) 1.837 8.770 ( -0.477 4.289 -1.274) 4.500 8.838 ( 3.287 4.720 -2.418) 6.239 8.861 ( 1.560 6.605 2.463) 7.220 8.936 ( 2.693 4.063 -0.052) 4.874 8.996 ( 0.013 4.311 -0.356) 4.326 9.203 ( -1.321 11.479 -0.087) 11.555 9.260 ( 0.112 0.856 0.786) 1.168 9.366 ( -5.724 7.488 -0.840) 9.463 9.577 ( 1.290 -5.968 -0.285) 6.112 9.688 ( 0.933 0.190 0.233) 0.980 9.790 ( 1.667 -4.016 0.210) 4.354 9.933 ( -0.509 -2.130 -0.239) 2.202 9.946 ( 0.927 -3.272 0.670) 3.466 9.972 ( 1.397 -2.419 -0.646) 2.867 10.062 ( 1.248 -3.111 0.180) 3.357 10.071 ( -1.007 -4.256 -0.083) 4.374 10.281 ( -0.248 -5.245 0.025) 5.251 10.316 ( 0.065 -4.878 -0.002) 4.879 ======================= Grid point 17 (12/42) ======================= q-point: ( 0.40 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -0.745 11.506 0.396) 11.536 1.318 ( 5.628 13.231 1.750) 14.484 1.418 ( 2.831 11.808 -0.584) 12.157 1.503 ( 0.513 6.753 0.950) 6.839 1.522 ( -8.004 10.049 -3.136) 13.224 1.636 ( -0.591 6.109 0.103) 6.139 1.642 ( 1.124 5.394 -1.873) 5.820 1.704 ( -7.168 5.896 0.914) 9.326 1.831 ( 3.891 6.780 5.246) 9.415 1.864 ( -0.815 7.131 -1.531) 7.339 1.894 ( -0.367 6.092 -3.774) 7.176 1.929 ( -3.305 4.306 2.641) 6.036 1.972 ( -2.279 7.977 -1.825) 8.495 2.032 ( -1.075 4.871 -1.316) 5.159 2.056 ( -2.708 7.731 0.669) 8.219 2.116 ( -1.279 7.569 0.676) 7.706 2.174 ( -3.153 4.213 1.555) 5.487 2.275 ( -0.761 6.140 -0.109) 6.188 2.286 ( -2.010 7.628 0.136) 7.890 2.302 ( -0.982 5.916 -2.204) 6.390 2.337 ( 0.125 4.359 0.407) 4.380 2.379 ( 1.030 5.248 0.989) 5.439 2.405 ( -2.628 5.628 1.685) 6.436 2.463 ( -0.240 -0.026 -0.982) 1.012 2.615 ( 0.969 13.101 0.397) 13.143 2.665 ( 2.560 16.350 -0.422) 16.555 2.747 ( 3.697 11.113 -2.399) 11.955 2.781 ( -0.807 9.332 5.024) 10.629 2.815 ( 1.483 1.675 -4.752) 5.252 2.940 ( 3.463 6.667 0.332) 7.520 3.021 ( 0.960 9.755 -0.399) 9.810 3.047 ( 1.315 14.315 1.644) 14.469 3.091 ( 1.984 12.024 -0.211) 12.189 3.219 ( 4.606 8.770 0.197) 9.908 3.227 ( 3.873 9.816 0.926) 10.592 3.408 ( -4.274 5.595 -0.300) 7.047 3.434 ( -0.204 11.626 -1.483) 11.722 3.556 ( 0.092 3.026 0.310) 3.043 3.602 ( 0.993 -4.497 2.118) 5.069 3.637 ( 1.606 3.417 -1.619) 4.108 3.663 ( -1.833 -2.993 -0.256) 3.519 3.724 ( -0.648 4.214 -0.079) 4.264 3.808 ( -1.200 0.535 0.570) 1.432 3.839 ( -3.024 0.402 -0.239) 3.060 4.091 ( -0.978 4.957 -0.122) 5.054 4.237 ( -0.228 -0.163 -0.767) 0.817 4.267 ( -0.026 -3.133 0.790) 3.231 4.361 ( 0.517 -2.353 0.320) 2.430 4.377 ( 0.149 -2.136 -0.330) 2.166 4.672 ( 1.614 -7.181 0.005) 7.361 5.329 ( -0.212 4.433 0.025) 4.438 5.378 ( -0.144 5.547 0.181) 5.551 5.463 ( 1.136 2.306 -0.783) 2.687 5.505 ( 1.039 3.693 -0.073) 3.837 5.592 ( 1.435 1.265 0.726) 2.046 5.637 ( 2.009 2.307 -0.119) 3.061 5.695 ( 0.648 2.857 -0.397) 2.957 5.731 ( -0.698 1.892 0.072) 2.018 5.765 ( -0.797 1.055 1.347) 1.887 5.816 ( 1.641 5.929 -0.057) 6.153 5.856 ( 0.255 -0.063 0.120) 0.289 5.884 ( 0.917 0.627 -0.587) 1.256 5.909 ( 2.179 5.534 -0.699) 5.989 5.942 ( -3.496 4.719 -0.031) 5.873 6.044 ( 0.542 6.325 -1.575) 6.541 6.062 ( -0.856 5.249 1.981) 5.675 6.165 ( -0.878 4.187 0.048) 4.278 6.204 ( -1.003 3.527 -0.056) 3.667 6.341 ( 0.632 3.094 0.694) 3.233 6.379 ( -2.807 3.391 -0.926) 4.498 6.467 ( -1.723 3.766 0.379) 4.159 6.501 ( 2.052 2.925 -0.129) 3.575 6.608 ( 0.253 5.005 -0.213) 5.016 6.635 ( 0.633 1.377 -0.179) 1.526 6.793 ( 0.852 -2.378 0.183) 2.533 6.798 ( 0.068 6.186 0.382) 6.199 6.883 ( -0.908 -1.626 0.123) 1.867 6.925 ( 0.126 3.273 -0.511) 3.315 7.004 ( 0.137 1.601 0.444) 1.667 7.027 ( 0.794 0.035 -0.345) 0.866 7.101 ( 0.996 3.177 0.651) 3.393 7.104 ( 0.585 4.020 0.218) 4.068 7.147 ( -3.272 3.494 -0.626) 4.828 7.294 ( -1.195 1.935 0.037) 2.275 7.406 ( -1.505 2.934 -1.991) 3.852 7.452 ( 2.659 0.057 4.186) 4.959 7.519 ( -2.825 1.215 -2.771) 4.139 7.769 ( -0.656 3.758 -0.643) 3.868 7.823 ( -1.384 3.071 0.504) 3.406 7.887 ( -0.603 3.363 0.869) 3.525 7.924 ( 0.586 7.020 -0.602) 7.070 7.965 ( -1.083 -0.424 0.228) 1.185 8.093 ( -0.723 4.561 0.535) 4.649 8.122 ( 1.310 -2.123 -1.159) 2.751 8.183 ( -2.434 -0.261 1.498) 2.870 8.364 ( 4.996 -4.394 0.088) 6.654 8.423 ( 0.682 0.957 -2.494) 2.757 8.451 ( -0.674 -1.731 -0.974) 2.097 8.496 ( -3.770 1.935 2.191) 4.771 8.597 ( -1.254 1.236 0.681) 1.887 8.670 ( 4.079 -1.931 -3.033) 5.437 8.724 ( -1.729 -2.011 3.712) 4.562 8.757 ( -0.489 5.995 -0.901) 6.082 8.887 ( 0.865 7.501 0.960) 7.612 8.891 ( 1.854 4.883 -0.638) 5.262 8.963 ( 0.230 4.360 -0.285) 4.376 9.012 ( 1.297 2.377 -0.267) 2.721 9.178 ( -0.996 11.633 -0.076) 11.675 9.248 ( -1.695 5.768 1.010) 6.096 9.274 ( -2.334 7.066 -0.824) 7.487 9.600 ( 0.880 -7.748 -0.344) 7.805 9.706 ( 0.641 0.969 0.230) 1.185 9.827 ( 1.557 -4.504 0.312) 4.775 9.906 ( -1.214 -1.032 -0.244) 1.612 9.970 ( 0.987 -3.717 0.115) 3.847 10.007 ( 2.034 -3.379 -0.530) 3.980 10.043 ( -1.821 -4.093 0.534) 4.511 10.080 ( 0.393 -4.074 -0.159) 4.096 10.278 ( -0.126 -5.035 0.020) 5.037 10.316 ( -0.024 -4.761 -0.000) 4.762 ======================= Grid point 20 (13/42) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 0.000 14.146 0.000) 14.146 1.544 ( 0.000 5.789 0.000) 5.789 1.652 ( 0.000 7.862 0.000) 7.862 1.676 ( 0.000 12.348 0.000) 12.348 1.782 ( 0.000 1.365 0.000) 1.365 1.789 ( 0.000 2.365 0.000) 2.365 1.806 ( 0.000 8.961 0.000) 8.961 1.900 ( 0.000 8.967 0.000) 8.967 1.943 ( 0.000 2.154 0.000) 2.154 2.016 ( 0.000 -0.859 0.000) 0.859 2.035 ( 0.000 5.152 0.000) 5.152 2.111 ( 0.000 -1.949 0.000) 1.949 2.115 ( 0.000 5.414 0.000) 5.414 2.134 ( 0.000 6.383 0.000) 6.383 2.218 ( 0.000 1.311 0.000) 1.311 2.276 ( 0.000 -2.985 0.000) 2.985 2.304 ( 0.000 2.636 0.000) 2.636 2.361 ( 0.000 6.441 0.000) 6.441 2.430 ( 0.000 2.628 0.000) 2.628 2.470 ( 0.000 1.354 0.000) 1.354 2.492 ( 0.000 0.442 0.000) 0.442 2.501 ( 0.000 1.273 0.000) 1.273 2.546 ( 0.000 3.131 0.000) 3.131 2.601 ( 0.000 3.338 0.000) 3.338 2.622 ( 0.000 1.624 0.000) 1.624 2.740 ( 0.000 2.956 0.000) 2.956 2.754 ( 0.000 -5.973 0.000) 5.973 2.782 ( 0.000 -0.988 0.000) 0.988 2.804 ( 0.000 -0.182 0.000) 0.182 2.881 ( 0.000 5.620 0.000) 5.620 3.000 ( 0.000 -7.047 0.000) 7.047 3.067 ( 0.000 3.848 0.000) 3.848 3.097 ( 0.000 8.388 0.000) 8.388 3.262 ( 0.000 -3.014 0.000) 3.014 3.294 ( 0.000 3.712 0.000) 3.712 3.408 ( 0.000 1.033 0.000) 1.033 3.537 ( 0.000 -4.611 0.000) 4.611 3.617 ( 0.000 6.679 0.000) 6.679 3.639 ( 0.000 5.669 0.000) 5.669 3.775 ( 0.000 10.349 0.000) 10.349 3.822 ( 0.000 10.274 0.000) 10.274 3.830 ( 0.000 12.823 0.000) 12.823 4.003 ( 0.000 16.389 0.000) 16.389 4.079 ( 0.000 12.026 0.000) 12.026 4.252 ( 0.000 1.664 0.000) 1.664 4.290 ( 0.000 4.637 0.000) 4.637 4.359 ( 0.000 1.873 0.000) 1.873 4.369 ( 0.000 4.336 0.000) 4.336 4.444 ( 0.000 9.746 0.000) 9.746 4.548 ( 0.000 3.253 0.000) 3.253 5.429 ( 0.000 5.229 0.000) 5.229 5.455 ( 0.000 3.920 0.000) 3.920 5.487 ( 0.000 2.482 0.000) 2.482 5.513 ( 0.000 2.252 0.000) 2.252 5.611 ( 0.000 3.602 0.000) 3.602 5.674 ( 0.000 3.660 0.000) 3.660 5.726 ( 0.000 -0.583 0.000) 0.583 5.761 ( 0.000 0.774 0.000) 0.774 5.798 ( 0.000 -3.987 0.000) 3.987 5.832 ( 0.000 2.494 0.000) 2.494 5.855 ( 0.000 1.842 0.000) 1.842 5.908 ( 0.000 5.298 0.000) 5.298 5.967 ( 0.000 7.648 0.000) 7.648 6.041 ( 0.000 2.545 0.000) 2.545 6.121 ( 0.000 4.417 0.000) 4.417 6.165 ( 0.000 3.331 0.000) 3.331 6.180 ( 0.000 -0.798 0.000) 0.798 6.259 ( 0.000 -0.814 0.000) 0.814 6.323 ( 0.000 2.165 0.000) 2.165 6.375 ( 0.000 0.400 0.000) 0.400 6.528 ( 0.000 -2.153 0.000) 2.153 6.574 ( 0.000 -0.004 0.000) 0.004 6.600 ( 0.000 -0.857 0.000) 0.857 6.683 ( 0.000 6.480 0.000) 6.480 6.741 ( 0.000 0.286 0.000) 0.286 6.858 ( 0.000 1.757 0.000) 1.757 6.926 ( 0.000 3.221 0.000) 3.221 7.022 ( 0.000 5.028 0.000) 5.028 7.065 ( 0.000 4.786 0.000) 4.786 7.128 ( 0.000 6.140 0.000) 6.140 7.142 ( 0.000 0.543 0.000) 0.543 7.189 ( 0.000 3.611 0.000) 3.611 7.392 ( 0.000 1.954 0.000) 1.954 7.404 ( 0.000 3.909 0.000) 3.909 7.426 ( 0.000 2.041 0.000) 2.041 7.496 ( 0.000 0.703 0.000) 0.703 7.622 ( 0.000 1.736 0.000) 1.736 7.779 ( 0.000 -1.780 0.000) 1.780 7.870 ( 0.000 4.024 0.000) 4.024 7.910 ( 0.000 1.474 0.000) 1.474 8.044 ( 0.000 -0.413 0.000) 0.413 8.094 ( 0.000 2.883 0.000) 2.883 8.147 ( 0.000 0.213 0.000) 0.213 8.155 ( 0.000 2.182 0.000) 2.182 8.196 ( 0.000 -0.838 0.000) 0.838 8.298 ( 0.000 2.823 0.000) 2.823 8.384 ( 0.000 -0.322 0.000) 0.322 8.446 ( 0.000 -5.123 0.000) 5.123 8.512 ( 0.000 3.313 0.000) 3.313 8.625 ( 0.000 -1.168 0.000) 1.168 8.626 ( 0.000 -1.148 0.000) 1.148 8.783 ( 0.000 4.848 0.000) 4.848 8.833 ( 0.000 3.232 0.000) 3.232 8.928 ( 0.000 6.820 0.000) 6.820 8.983 ( 0.000 7.322 0.000) 7.322 9.049 ( 0.000 7.950 0.000) 7.950 9.118 ( 0.000 5.420 0.000) 5.420 9.264 ( 0.000 1.640 0.000) 1.640 9.417 ( 0.000 -6.671 0.000) 6.671 9.436 ( 0.000 9.373 0.000) 9.373 9.552 ( 0.000 3.742 0.000) 3.742 9.667 ( 0.000 -3.060 0.000) 3.060 9.729 ( 0.000 1.050 0.000) 1.050 9.869 ( 0.000 -1.915 0.000) 1.915 9.915 ( 0.000 -0.866 0.000) 0.866 9.925 ( 0.000 -1.872 0.000) 1.872 9.998 ( 0.000 -3.638 0.000) 3.638 10.012 ( 0.000 -1.483 0.000) 1.483 10.191 ( 0.000 -3.902 0.000) 3.902 10.224 ( 0.000 -4.074 0.000) 4.074 ======================= Grid point 21 (14/42) ======================= q-point: ( 0.20 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 0.586 12.624 1.633) 12.742 1.530 ( -1.332 7.228 -0.699) 7.382 1.631 ( -1.842 7.700 1.506) 8.060 1.667 ( -0.598 10.084 -2.921) 10.516 1.742 ( -2.824 4.334 0.573) 5.205 1.775 ( -1.130 4.250 0.026) 4.398 1.802 ( -2.714 4.957 -0.124) 5.653 1.888 ( -2.221 5.944 -0.174) 6.348 1.900 ( -2.383 3.882 -0.590) 4.593 1.979 ( -0.300 2.112 -1.794) 2.787 2.026 ( -2.277 4.171 -0.200) 4.756 2.097 ( -0.940 5.609 -1.008) 5.776 2.120 ( -0.424 1.302 1.782) 2.247 2.149 ( 0.104 2.530 2.787) 3.766 2.196 ( -1.608 4.409 -0.063) 4.694 2.249 ( -3.463 0.639 -1.381) 3.783 2.257 ( -3.207 0.112 3.415) 4.686 2.373 ( 0.066 5.162 0.658) 5.204 2.402 ( -1.120 3.733 -1.879) 4.327 2.409 ( -4.066 0.495 0.358) 4.112 2.446 ( -2.469 1.638 -3.692) 4.734 2.524 ( -5.894 2.223 -0.268) 6.305 2.534 ( -6.656 2.217 2.077) 7.317 2.554 ( -1.062 5.885 -0.090) 5.981 2.602 ( 7.467 0.240 -1.794) 7.683 2.719 ( 2.996 -2.321 3.696) 5.294 2.774 ( 3.346 -2.047 -1.913) 4.364 2.860 ( 5.335 0.530 0.598) 5.394 2.918 ( 4.230 1.950 0.769) 4.721 2.977 ( 6.099 1.348 0.293) 6.253 3.022 ( 3.748 -2.614 -0.263) 4.577 3.081 ( 1.003 6.968 0.143) 7.041 3.116 ( 5.288 2.168 -2.216) 6.129 3.286 ( 1.149 -1.644 0.347) 2.035 3.350 ( 2.919 0.722 -0.673) 3.081 3.442 ( 1.177 -4.573 1.573) 4.977 3.521 ( 0.426 1.599 0.096) 1.657 3.609 ( -2.477 2.397 0.340) 3.463 3.652 ( 1.872 8.826 -0.774) 9.055 3.724 ( -2.554 10.478 -0.267) 10.789 3.766 ( -4.573 10.679 0.807) 11.645 3.817 ( -1.513 8.950 -0.998) 9.132 3.995 ( -0.377 15.097 -0.122) 15.103 4.122 ( 2.860 14.109 0.819) 14.419 4.261 ( 0.612 2.076 -0.014) 2.164 4.300 ( 0.656 6.193 -0.384) 6.240 4.339 ( -4.005 4.088 -0.058) 5.723 4.361 ( 0.366 4.653 -0.344) 4.680 4.408 ( -1.343 8.886 0.419) 8.997 4.568 ( 1.111 1.317 -0.011) 1.723 5.408 ( -2.186 2.738 0.995) 3.642 5.445 ( -0.142 2.485 -1.459) 2.885 5.505 ( 1.626 4.280 -0.534) 4.609 5.541 ( 1.681 2.840 0.292) 3.313 5.619 ( 0.918 2.973 -0.204) 3.118 5.658 ( -0.515 3.135 0.613) 3.236 5.726 ( 0.029 1.018 1.728) 2.006 5.745 ( -1.026 -2.044 -0.882) 2.451 5.812 ( -0.444 1.028 -0.385) 1.184 5.844 ( 1.647 1.410 0.009) 2.168 5.889 ( 3.148 3.177 1.017) 4.587 5.924 ( 1.805 5.499 -1.442) 5.964 5.987 ( 1.630 7.058 0.437) 7.257 6.051 ( 1.119 3.233 -0.061) 3.422 6.126 ( 0.832 4.507 -0.429) 4.603 6.159 ( -0.222 3.847 0.682) 3.913 6.211 ( 2.221 0.397 -0.356) 2.284 6.290 ( 1.503 2.799 -0.034) 3.177 6.350 ( 2.829 0.349 -0.015) 2.850 6.374 ( 0.911 -0.916 -0.243) 1.315 6.520 ( -0.703 -2.631 0.442) 2.759 6.560 ( -2.936 -0.917 0.391) 3.100 6.582 ( 0.147 1.152 -0.838) 1.432 6.683 ( -0.242 4.224 -0.105) 4.232 6.738 ( -0.360 -1.086 1.380) 1.792 6.867 ( 0.759 1.561 -0.432) 1.788 6.929 ( 0.359 4.443 -0.351) 4.472 7.016 ( -0.770 4.211 -0.051) 4.281 7.058 ( -1.011 4.495 -0.084) 4.608 7.096 ( -2.060 1.713 -0.986) 2.855 7.133 ( -0.523 3.468 -0.232) 3.515 7.200 ( -0.253 3.506 2.166) 4.129 7.324 ( -5.132 4.078 -0.368) 6.566 7.385 ( -1.825 2.129 -3.085) 4.169 7.422 ( -1.297 1.966 3.319) 4.070 7.489 ( -0.429 1.498 -0.710) 1.713 7.590 ( -2.117 1.280 -0.618) 2.549 7.791 ( 1.010 -1.576 -1.046) 2.144 7.897 ( -0.658 2.511 0.992) 2.779 7.918 ( 2.933 3.463 0.741) 4.598 7.996 ( -3.494 -1.250 0.589) 3.757 8.092 ( -1.820 5.970 -0.766) 6.288 8.140 ( -0.144 2.358 0.532) 2.421 8.183 ( 1.059 0.944 -1.072) 1.778 8.200 ( 2.029 -2.314 0.387) 3.101 8.260 ( -3.116 2.198 1.082) 3.964 8.388 ( 0.269 -0.530 1.069) 1.223 8.461 ( 0.224 -1.802 -2.406) 3.015 8.510 ( 1.042 0.126 -2.970) 3.151 8.597 ( -2.406 -2.318 1.587) 3.699 8.647 ( 1.155 0.769 2.649) 2.991 8.767 ( -1.101 5.298 -0.289) 5.419 8.839 ( 0.597 3.472 -0.643) 3.581 8.945 ( 1.757 5.878 -0.361) 6.146 9.006 ( 2.078 6.835 0.556) 7.165 9.062 ( 1.146 6.966 -0.999) 7.130 9.105 ( -0.995 5.461 1.096) 5.658 9.283 ( 1.441 1.529 -0.187) 2.109 9.420 ( -1.526 9.164 0.223) 9.292 9.423 ( 0.511 -6.137 -0.293) 6.165 9.512 ( -3.619 4.234 -0.063) 5.570 9.680 ( 1.343 -3.064 -0.267) 3.356 9.741 ( 1.158 0.850 0.436) 1.501 9.883 ( 1.246 -2.200 0.074) 2.529 9.908 ( -0.880 -1.092 -0.048) 1.404 9.934 ( 1.244 -1.488 -0.395) 1.980 9.992 ( -0.627 -3.101 0.558) 3.212 10.017 ( 0.358 -1.788 -0.329) 1.853 10.191 ( -0.019 -3.852 0.015) 3.852 10.226 ( 0.161 -4.022 0.006) 4.026 ======================= Grid point 22 (15/42) ======================= q-point: ( 0.40 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -1.293 8.912 -0.086) 9.006 1.531 ( 0.558 7.960 0.540) 7.998 1.614 ( -0.294 5.148 0.831) 5.223 1.645 ( -1.336 9.310 -0.656) 9.428 1.703 ( -1.165 4.880 2.266) 5.505 1.731 ( -2.472 8.029 -2.556) 8.781 1.761 ( -0.477 4.896 -1.653) 5.190 1.801 ( -3.342 3.358 0.066) 4.739 1.929 ( 1.666 4.282 3.775) 5.946 1.977 ( -0.241 3.646 -3.729) 5.221 1.988 ( -0.408 4.590 -0.163) 4.611 2.063 ( -1.892 9.536 0.097) 9.722 2.129 ( -1.089 2.873 -0.967) 3.221 2.143 ( -0.235 2.261 0.436) 2.314 2.152 ( -0.104 4.228 0.542) 4.264 2.197 ( -2.016 3.512 -0.120) 4.051 2.205 ( -2.584 1.051 2.582) 3.801 2.296 ( -3.206 -0.912 0.247) 3.342 2.377 ( -2.483 -0.105 -1.287) 2.799 2.406 ( 1.169 3.267 1.318) 3.711 2.440 ( 1.148 3.289 -3.035) 4.620 2.457 ( 1.136 3.704 0.695) 3.937 2.486 ( -2.187 4.407 0.475) 4.943 2.524 ( -1.469 7.149 0.980) 7.364 2.685 ( 1.877 -2.472 -1.780) 3.578 2.786 ( 2.097 -4.849 4.400) 6.876 2.812 ( 1.455 -0.258 -4.282) 4.530 2.924 ( 0.978 0.517 1.511) 1.872 2.975 ( 1.808 7.447 -0.701) 7.695 3.027 ( 1.058 6.465 0.925) 6.616 3.096 ( 4.899 0.892 0.403) 4.996 3.186 ( 7.199 -1.856 0.983) 7.499 3.261 ( 1.501 1.213 -2.603) 3.240 3.279 ( -0.065 -1.693 -0.623) 1.805 3.324 ( 1.924 -4.947 -0.509) 5.333 3.426 ( -2.991 -5.454 0.872) 6.281 3.517 ( -2.784 2.686 0.140) 3.871 3.541 ( -5.052 5.487 1.400) 7.589 3.670 ( -0.333 5.513 0.360) 5.535 3.690 ( 0.519 11.280 -0.584) 11.307 3.756 ( 1.795 10.077 -0.143) 10.237 3.809 ( 1.029 3.862 -0.338) 4.011 4.010 ( 2.767 15.334 -0.468) 15.589 4.116 ( -4.643 17.600 0.567) 18.211 4.241 ( -1.062 6.881 -0.202) 6.965 4.295 ( 0.159 2.898 0.571) 2.958 4.314 ( 0.296 5.348 -0.477) 5.377 4.372 ( 0.621 6.953 -0.113) 6.981 4.401 ( -0.084 7.590 0.075) 7.591 4.578 ( 0.137 -1.558 0.011) 1.564 5.375 ( -1.209 0.887 0.498) 1.580 5.438 ( -0.207 0.999 -0.507) 1.139 5.529 ( 0.846 4.830 -1.334) 5.082 5.565 ( 0.695 2.822 1.119) 3.114 5.644 ( 1.744 2.471 -1.453) 3.356 5.661 ( -0.133 2.047 1.550) 2.571 5.719 ( -0.630 1.772 0.309) 1.905 5.738 ( 0.163 -0.420 0.029) 0.451 5.812 ( 0.430 2.612 -0.031) 2.647 5.858 ( 0.114 1.828 0.047) 1.833 5.935 ( 0.562 4.760 -0.464) 4.816 5.960 ( 2.665 5.802 -0.400) 6.397 6.008 ( -0.127 5.914 1.302) 6.057 6.078 ( 1.434 6.194 -0.318) 6.366 6.126 ( -0.729 3.653 -0.520) 3.761 6.172 ( 1.027 3.780 1.190) 4.094 6.244 ( 1.687 3.934 -2.179) 4.803 6.286 ( -1.509 3.923 1.061) 4.335 6.398 ( 3.308 2.079 0.131) 3.909 6.435 ( 3.397 -0.595 -0.049) 3.449 6.493 ( -2.459 -2.285 -0.081) 3.357 6.510 ( -2.535 -1.002 0.454) 2.764 6.589 ( 1.122 -3.184 -0.883) 3.489 6.674 ( -0.495 1.504 0.260) 1.604 6.743 ( 0.480 -0.864 0.739) 1.234 6.868 ( -0.603 0.851 -0.213) 1.064 6.938 ( 0.478 6.654 -0.317) 6.679 6.991 ( -1.038 3.221 0.196) 3.390 7.022 ( -1.977 0.922 -0.002) 2.181 7.076 ( -0.866 3.175 -0.379) 3.313 7.127 ( -0.188 1.266 0.237) 1.302 7.176 ( -1.146 1.497 1.076) 2.170 7.274 ( -0.393 7.026 -0.572) 7.060 7.339 ( -1.885 2.496 -1.316) 3.393 7.405 ( -0.565 -0.062 1.106) 1.243 7.486 ( 0.306 2.157 -0.622) 2.265 7.554 ( -1.564 1.234 -0.025) 1.993 7.803 ( 0.312 -0.385 -0.448) 0.669 7.895 ( 0.464 3.435 1.722) 3.870 7.933 ( -2.590 1.044 -0.816) 2.909 7.952 ( 0.353 1.976 -0.015) 2.007 8.079 ( 0.530 6.072 0.125) 6.097 8.137 ( -0.043 3.215 -0.415) 3.242 8.178 ( -0.186 3.580 0.575) 3.630 8.204 ( -1.918 2.211 0.457) 2.962 8.267 ( 2.644 -4.212 -0.390) 4.988 8.374 ( -1.931 -1.624 0.637) 2.602 8.449 ( -0.744 -1.807 -1.263) 2.327 8.513 ( 0.244 0.807 -1.510) 1.730 8.583 ( 0.105 -2.894 1.044) 3.078 8.675 ( 1.467 1.010 1.014) 2.050 8.748 ( -1.037 5.935 0.002) 6.025 8.848 ( 0.350 3.735 -0.296) 3.763 8.979 ( 1.400 4.839 -0.250) 5.044 9.045 ( 1.666 6.516 0.731) 6.765 9.070 ( -0.312 5.770 -1.177) 5.897 9.097 ( -0.023 5.048 0.755) 5.104 9.301 ( 0.444 1.407 -0.043) 1.476 9.392 ( -1.083 9.049 -0.047) 9.113 9.425 ( -0.640 -0.139 0.087) 0.661 9.458 ( -1.200 -0.203 -0.123) 1.223 9.705 ( 0.980 -3.397 -0.195) 3.541 9.763 ( 0.756 0.344 0.350) 0.901 9.883 ( -0.649 -1.517 -0.158) 1.657 9.917 ( 1.103 -1.500 0.185) 1.872 9.956 ( 0.902 -1.734 -0.718) 2.083 9.979 ( -0.729 -2.256 0.734) 2.482 10.019 ( -0.109 -2.054 -0.185) 2.065 10.190 ( -0.019 -3.749 0.011) 3.750 10.228 ( 0.063 -3.935 0.003) 3.936 ======================= Grid point 25 (16/42) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 0.000 4.950 0.000) 4.950 1.711 ( 0.000 6.223 0.000) 6.223 1.762 ( 0.000 -0.521 0.000) 0.521 1.790 ( 0.000 3.253 0.000) 3.253 1.800 ( 0.000 -1.116 0.000) 1.116 1.853 ( 0.000 4.139 0.000) 4.139 1.960 ( 0.000 0.795 0.000) 0.795 1.966 ( 0.000 1.311 0.000) 1.311 1.994 ( 0.000 -0.535 0.000) 0.535 2.003 ( 0.000 5.090 0.000) 5.090 2.047 ( 0.000 -2.300 0.000) 2.300 2.093 ( 0.000 -5.260 0.000) 5.260 2.148 ( 0.000 6.231 0.000) 6.231 2.225 ( 0.000 -0.901 0.000) 0.901 2.231 ( 0.000 1.470 0.000) 1.470 2.305 ( 0.000 7.223 0.000) 7.223 2.362 ( 0.000 2.517 0.000) 2.517 2.418 ( 0.000 0.031 0.000) 0.031 2.450 ( 0.000 -1.739 0.000) 1.739 2.464 ( 0.000 -1.361 0.000) 1.361 2.511 ( 0.000 -0.756 0.000) 0.756 2.530 ( 0.000 2.297 0.000) 2.297 2.572 ( 0.000 2.790 0.000) 2.790 2.621 ( 0.000 -3.565 0.000) 3.565 2.641 ( 0.000 0.669 0.000) 0.669 2.690 ( 0.000 0.487 0.000) 0.487 2.748 ( 0.000 -4.262 0.000) 4.262 2.753 ( 0.000 -3.483 0.000) 3.483 2.779 ( 0.000 3.244 0.000) 3.244 2.870 ( 0.000 -1.616 0.000) 1.616 2.873 ( 0.000 -2.492 0.000) 2.492 3.083 ( 0.000 -9.919 0.000) 9.919 3.086 ( 0.000 -10.058 0.000) 10.058 3.215 ( 0.000 4.018 0.000) 4.018 3.247 ( 0.000 5.276 0.000) 5.276 3.359 ( 0.000 -7.375 0.000) 7.375 3.645 ( 0.000 6.399 0.000) 6.399 3.675 ( 0.000 1.010 0.000) 1.010 3.785 ( 0.000 7.282 0.000) 7.282 3.905 ( 0.000 2.893 0.000) 2.893 4.062 ( 0.000 11.011 0.000) 11.011 4.073 ( 0.000 11.709 0.000) 11.709 4.299 ( 0.000 2.938 0.000) 2.938 4.324 ( 0.000 3.315 0.000) 3.315 4.335 ( 0.000 11.777 0.000) 11.777 4.350 ( 0.000 12.012 0.000) 12.012 4.446 ( 0.000 6.674 0.000) 6.674 4.508 ( 0.000 6.901 0.000) 6.901 4.635 ( 0.000 8.447 0.000) 8.447 4.667 ( 0.000 6.795 0.000) 6.795 5.515 ( 0.000 1.632 0.000) 1.632 5.516 ( 0.000 1.280 0.000) 1.280 5.548 ( 0.000 1.856 0.000) 1.856 5.558 ( 0.000 4.877 0.000) 4.877 5.682 ( 0.000 -1.539 0.000) 1.539 5.683 ( 0.000 3.638 0.000) 3.638 5.725 ( 0.000 1.895 0.000) 1.895 5.766 ( 0.000 0.508 0.000) 0.508 5.829 ( 0.000 5.898 0.000) 5.898 5.879 ( 0.000 1.983 0.000) 1.983 5.904 ( 0.000 2.793 0.000) 2.793 5.947 ( 0.000 -1.204 0.000) 1.204 6.071 ( 0.000 2.131 0.000) 2.131 6.103 ( 0.000 3.111 0.000) 3.111 6.162 ( 0.000 0.769 0.000) 0.769 6.199 ( 0.000 2.897 0.000) 2.897 6.260 ( 0.000 3.734 0.000) 3.734 6.273 ( 0.000 3.332 0.000) 3.332 6.365 ( 0.000 1.878 0.000) 1.878 6.386 ( 0.000 -0.348 0.000) 0.348 6.493 ( 0.000 -1.551 0.000) 1.551 6.507 ( 0.000 -3.988 0.000) 3.988 6.635 ( 0.000 2.171 0.000) 2.171 6.739 ( 0.000 -0.698 0.000) 0.698 6.782 ( 0.000 3.633 0.000) 3.633 6.894 ( 0.000 1.740 0.000) 1.740 6.962 ( 0.000 0.193 0.000) 0.193 7.068 ( 0.000 -3.420 0.000) 3.420 7.120 ( 0.000 2.728 0.000) 2.728 7.132 ( 0.000 3.784 0.000) 3.784 7.269 ( 0.000 5.285 0.000) 5.285 7.270 ( 0.000 2.916 0.000) 2.916 7.395 ( 0.000 0.148 0.000) 0.148 7.472 ( 0.000 2.865 0.000) 2.865 7.497 ( 0.000 -0.571 0.000) 0.571 7.500 ( 0.000 3.340 0.000) 3.340 7.661 ( 0.000 1.875 0.000) 1.875 7.737 ( 0.000 -1.954 0.000) 1.954 7.945 ( 0.000 1.867 0.000) 1.867 7.947 ( 0.000 3.447 0.000) 3.447 8.037 ( 0.000 -0.275 0.000) 0.275 8.045 ( 0.000 -2.939 0.000) 2.939 8.144 ( 0.000 -2.703 0.000) 2.703 8.185 ( 0.000 0.219 0.000) 0.219 8.225 ( 0.000 2.661 0.000) 2.661 8.295 ( 0.000 -2.676 0.000) 2.676 8.400 ( 0.000 1.466 0.000) 1.466 8.408 ( 0.000 1.257 0.000) 1.257 8.550 ( 0.000 1.160 0.000) 1.160 8.603 ( 0.000 -0.751 0.000) 0.751 8.687 ( 0.000 6.277 0.000) 6.277 8.885 ( 0.000 4.653 0.000) 4.653 8.905 ( 0.000 3.448 0.000) 3.448 9.037 ( 0.000 2.831 0.000) 2.831 9.118 ( 0.000 6.015 0.000) 6.015 9.177 ( 0.000 4.614 0.000) 4.614 9.200 ( 0.000 2.426 0.000) 2.426 9.282 ( 0.000 -5.198 0.000) 5.198 9.315 ( 0.000 3.438 0.000) 3.438 9.579 ( 0.000 4.876 0.000) 4.876 9.586 ( 0.000 -4.411 0.000) 4.411 9.615 ( 0.000 2.153 0.000) 2.153 9.775 ( 0.000 2.777 0.000) 2.777 9.847 ( 0.000 -0.320 0.000) 0.320 9.899 ( 0.000 -0.801 0.000) 0.801 9.902 ( 0.000 -0.400 0.000) 0.400 9.938 ( 0.000 -2.387 0.000) 2.387 9.982 ( 0.000 -1.645 0.000) 1.645 10.130 ( 0.000 -2.090 0.000) 2.090 10.156 ( 0.000 -2.642 0.000) 2.642 ======================= Grid point 26 (17/42) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -0.941 4.254 0.673) 4.409 1.697 ( -1.979 5.046 -0.429) 5.437 1.745 ( -1.624 3.369 0.875) 3.841 1.773 ( -1.263 0.821 -0.417) 1.563 1.794 ( 0.165 -0.024 -1.589) 1.597 1.840 ( -1.655 4.909 -0.063) 5.181 1.901 ( -4.138 2.026 -1.346) 4.800 1.958 ( -3.063 4.574 0.407) 5.520 1.984 ( -0.343 -2.368 3.044) 3.872 2.008 ( 1.409 -0.575 0.160) 1.530 2.046 ( 0.804 3.033 1.267) 3.384 2.099 ( -2.773 1.952 -2.169) 4.026 2.136 ( 2.095 -3.726 -1.498) 4.529 2.191 ( -2.720 0.611 0.080) 2.789 2.243 ( 0.056 3.240 0.595) 3.294 2.310 ( -0.969 5.622 1.830) 5.991 2.312 ( -3.692 2.359 1.119) 4.523 2.395 ( -2.738 -1.288 -3.087) 4.322 2.424 ( -3.903 1.236 0.188) 4.098 2.464 ( -1.255 -0.587 1.633) 2.142 2.476 ( 0.893 1.828 -3.777) 4.290 2.521 ( -4.666 -2.606 0.142) 5.346 2.578 ( -0.971 2.620 2.378) 3.669 2.591 ( 2.362 -0.068 1.926) 3.048 2.643 ( 1.162 -0.801 -2.656) 3.007 2.686 ( -0.330 2.812 2.535) 3.800 2.723 ( 2.374 -1.710 -3.011) 4.199 2.797 ( 2.331 -5.223 3.378) 6.643 2.849 ( 3.495 -1.211 -4.141) 5.552 2.923 ( 6.717 -4.224 3.264) 8.580 2.977 ( 10.157 -3.930 -1.703) 11.023 3.118 ( 2.883 -7.631 1.380) 8.273 3.188 ( 1.751 -1.572 0.913) 2.524 3.213 ( 3.282 -1.752 0.781) 3.801 3.252 ( 1.226 2.712 -2.313) 3.769 3.317 ( -3.164 -5.137 -0.884) 6.098 3.643 ( -1.370 4.352 -0.189) 4.567 3.666 ( -1.144 2.010 1.320) 2.663 3.794 ( 0.544 5.900 -0.456) 5.942 3.891 ( -1.492 2.394 -0.623) 2.889 4.009 ( -4.064 11.781 -0.512) 12.472 4.011 ( -4.946 12.000 1.000) 13.018 4.266 ( -1.836 6.769 0.105) 7.014 4.293 ( -1.720 1.446 -0.686) 2.349 4.338 ( 0.432 6.453 0.607) 6.495 4.419 ( 4.876 11.044 -0.067) 12.073 4.466 ( -0.092 8.368 0.913) 8.418 4.535 ( 2.800 8.336 -1.297) 8.889 4.620 ( -1.313 9.827 0.288) 9.918 4.655 ( -1.253 6.264 0.118) 6.389 5.450 ( -4.369 1.547 1.005) 4.743 5.474 ( -2.755 0.514 -1.083) 3.005 5.588 ( 2.684 2.083 0.135) 3.400 5.610 ( 3.239 3.502 -0.902) 4.854 5.674 ( -1.189 2.536 0.292) 2.816 5.705 ( 1.851 2.803 0.731) 3.438 5.707 ( 0.889 1.835 -0.023) 2.039 5.812 ( 1.802 2.474 -0.209) 3.068 5.832 ( 0.716 4.634 0.387) 4.705 5.894 ( 1.528 2.829 -1.107) 3.400 5.951 ( 4.353 2.250 1.580) 5.149 5.985 ( 3.541 0.386 -0.800) 3.650 6.087 ( 2.246 0.316 -1.081) 2.513 6.110 ( 0.365 4.420 1.753) 4.769 6.182 ( 1.777 -0.140 0.201) 1.794 6.212 ( 1.071 2.532 -0.627) 2.820 6.254 ( 0.567 3.949 0.568) 4.030 6.314 ( 3.349 1.001 -1.172) 3.686 6.365 ( -0.525 0.922 -1.577) 1.901 6.385 ( 0.041 0.891 1.202) 1.497 6.467 ( -2.036 -2.254 -0.082) 3.038 6.504 ( -0.823 -3.192 0.518) 3.336 6.620 ( -1.727 1.860 -0.458) 2.579 6.720 ( -1.599 -0.501 1.405) 2.187 6.757 ( -2.066 2.596 0.365) 3.338 6.898 ( 0.158 1.308 -0.581) 1.440 6.973 ( 0.942 -0.268 0.002) 0.980 7.047 ( -1.800 -2.525 -0.435) 3.131 7.102 ( -1.296 2.997 -0.043) 3.265 7.139 ( 0.319 4.025 -0.435) 4.061 7.237 ( -3.349 2.773 0.067) 4.348 7.255 ( -2.009 3.315 0.904) 3.980 7.375 ( -2.091 1.021 1.019) 2.540 7.425 ( -2.306 3.118 -4.322) 5.807 7.477 ( -2.608 0.946 1.565) 3.186 7.520 ( 1.139 2.238 1.938) 3.172 7.613 ( -3.618 1.133 -0.731) 3.861 7.751 ( 1.304 -2.160 -0.630) 2.600 7.942 ( -0.235 2.148 1.119) 2.434 7.983 ( -1.646 0.644 0.511) 1.840 7.992 ( 3.221 3.383 -0.055) 4.671 8.114 ( 1.277 -2.230 -1.856) 3.170 8.138 ( 2.078 -1.733 -0.063) 2.706 8.185 ( -0.264 -0.147 1.504) 1.534 8.232 ( 1.594 3.076 -0.072) 3.466 8.294 ( -0.898 0.538 -0.303) 1.090 8.407 ( 0.770 1.960 1.513) 2.593 8.439 ( 1.523 0.834 -2.080) 2.710 8.518 ( -2.306 -0.011 -0.582) 2.379 8.562 ( -3.484 -1.338 0.732) 3.804 8.707 ( 1.499 5.423 0.489) 5.648 8.879 ( -0.487 4.983 -0.058) 5.007 8.910 ( 0.461 3.302 -0.290) 3.347 9.041 ( 0.555 2.532 0.135) 2.595 9.129 ( 1.049 5.314 0.097) 5.417 9.178 ( 0.044 4.335 -0.930) 4.434 9.193 ( -0.755 3.232 0.996) 3.465 9.254 ( -1.322 -4.959 -0.063) 5.133 9.358 ( 2.828 1.907 -0.086) 3.412 9.559 ( -1.871 4.547 0.071) 4.917 9.584 ( -2.292 1.686 -0.230) 2.855 9.598 ( 0.515 -3.651 0.134) 3.689 9.785 ( 0.908 2.602 0.010) 2.756 9.854 ( 0.382 -0.799 0.034) 0.886 9.898 ( 0.008 0.190 0.046) 0.195 9.911 ( 1.167 -0.877 -0.113) 1.464 9.943 ( 0.366 -1.963 0.092) 1.999 9.990 ( 0.498 -1.269 -0.060) 1.365 10.129 ( -0.069 -2.190 0.008) 2.191 10.159 ( 0.212 -2.652 0.004) 2.661 ======================= Grid point 27 (18/42) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -0.934 2.638 0.732) 2.893 1.654 ( -1.616 5.730 -0.627) 5.987 1.713 ( -1.409 5.339 0.194) 5.525 1.765 ( 0.403 0.581 -0.471) 0.850 1.790 ( -0.998 0.171 -0.215) 1.036 1.800 ( -1.517 4.411 -0.213) 4.670 1.853 ( -0.939 3.635 0.195) 3.759 1.898 ( -2.035 6.154 -0.481) 6.500 2.000 ( 1.202 -3.148 3.015) 4.522 2.024 ( -0.018 1.200 -1.346) 1.803 2.063 ( 0.599 4.606 -0.132) 4.647 2.081 ( 0.894 -0.075 -0.150) 0.910 2.124 ( -2.027 -1.529 -0.667) 2.626 2.175 ( -0.222 -1.935 -0.083) 1.950 2.207 ( -1.762 1.136 -0.183) 2.105 2.272 ( -0.458 4.945 -0.645) 5.008 2.291 ( -2.523 1.360 2.606) 3.874 2.315 ( -2.262 6.034 -0.112) 6.445 2.372 ( -1.111 0.559 -1.522) 1.966 2.453 ( -0.433 0.404 0.691) 0.910 2.476 ( 0.197 1.094 -0.724) 1.326 2.515 ( 1.886 1.103 -2.148) 3.064 2.551 ( -1.355 1.743 2.031) 3.000 2.616 ( -1.489 -3.359 0.438) 3.700 2.659 ( 1.731 -3.578 0.171) 3.979 2.683 ( -0.374 6.908 -0.023) 6.918 2.750 ( 0.757 -4.968 -1.572) 5.265 2.881 ( 5.820 -3.713 3.110) 7.572 2.941 ( 5.141 -2.820 -1.935) 6.175 3.046 ( 1.679 -7.182 3.297) 8.079 3.087 ( -3.392 -2.703 -2.836) 5.182 3.150 ( 5.911 -5.600 -0.406) 8.152 3.202 ( 1.533 -3.820 -0.610) 4.161 3.241 ( -0.094 5.786 0.086) 5.788 3.275 ( 2.584 -2.038 -0.057) 3.292 3.315 ( 0.154 -4.457 0.563) 4.495 3.600 ( -1.602 4.089 -0.815) 4.467 3.631 ( -3.323 3.203 1.051) 4.733 3.751 ( -3.336 3.651 -0.382) 4.961 3.846 ( -2.427 1.064 0.163) 2.655 3.967 ( 0.614 11.938 0.160) 11.955 3.985 ( 0.247 10.444 -0.053) 10.447 4.262 ( 0.702 4.133 -0.297) 4.203 4.277 ( 0.745 0.786 -0.164) 1.096 4.334 ( -1.227 7.134 0.318) 7.246 4.428 ( -2.660 11.405 0.141) 11.712 4.504 ( 3.732 10.615 0.104) 11.253 4.578 ( 1.355 8.214 -0.448) 8.338 4.601 ( -1.128 9.362 0.204) 9.431 4.627 ( -1.202 7.589 0.056) 7.684 5.388 ( -2.002 0.657 0.455) 2.155 5.435 ( -1.078 -0.817 -0.503) 1.443 5.627 ( 1.171 2.475 0.379) 2.764 5.645 ( 0.322 6.055 -0.670) 6.100 5.664 ( 0.418 0.953 -0.100) 1.046 5.719 ( 0.688 3.849 0.673) 3.967 5.756 ( 1.974 3.137 -0.627) 3.759 5.820 ( -0.154 5.863 0.411) 5.879 5.855 ( 1.063 2.326 0.016) 2.557 5.913 ( 0.585 3.274 -0.277) 3.337 6.018 ( 0.373 3.613 -0.009) 3.632 6.054 ( 5.455 2.211 0.119) 5.888 6.121 ( -0.278 2.789 0.246) 2.814 6.138 ( 0.903 2.815 0.550) 3.007 6.197 ( 1.466 0.639 1.027) 1.900 6.243 ( 0.837 4.132 -1.373) 4.434 6.286 ( 3.302 -2.072 -0.464) 3.926 6.341 ( -0.868 1.609 -1.178) 2.175 6.354 ( -0.734 -3.693 1.027) 3.903 6.385 ( -0.588 -1.302 -0.157) 1.437 6.441 ( 0.084 -0.740 0.169) 0.763 6.489 ( -0.933 -2.114 0.333) 2.335 6.582 ( -0.997 1.466 -0.686) 1.901 6.692 ( -1.640 1.875 0.319) 2.512 6.741 ( 0.235 -1.138 0.819) 1.422 6.886 ( -1.212 0.600 -0.501) 1.442 6.980 ( -0.189 -1.961 -0.078) 1.971 7.044 ( 2.561 1.630 -0.171) 3.041 7.076 ( -1.221 2.938 0.310) 3.197 7.129 ( -4.957 3.297 0.426) 5.969 7.156 ( -0.752 1.413 -0.068) 1.602 7.216 ( -1.669 2.581 0.279) 3.086 7.362 ( 0.742 1.653 -0.199) 1.823 7.391 ( -0.991 3.042 -2.305) 3.944 7.424 ( -2.354 0.842 1.320) 2.827 7.543 ( 0.727 3.145 0.924) 3.358 7.556 ( -1.927 -0.104 -0.520) 1.999 7.771 ( 0.702 -2.417 -0.333) 2.538 7.939 ( -0.190 2.171 0.024) 2.179 7.977 ( 0.287 2.961 1.511) 3.337 8.019 ( -0.120 3.612 -0.790) 3.699 8.148 ( 3.431 0.262 -0.180) 3.446 8.184 ( 2.198 1.201 -0.290) 2.522 8.203 ( 1.369 -1.113 -0.826) 1.949 8.251 ( -1.185 3.588 1.543) 4.082 8.267 ( -0.792 2.970 -0.123) 3.077 8.375 ( -3.567 1.292 0.453) 3.821 8.414 ( -2.269 -1.069 -1.026) 2.710 8.516 ( 1.493 -0.491 -1.169) 1.959 8.537 ( 0.121 -1.648 1.077) 1.972 8.730 ( 0.689 4.698 0.341) 4.760 8.871 ( -0.286 5.405 -0.002) 5.413 8.918 ( 0.287 3.113 -0.161) 3.130 9.056 ( 0.733 1.796 -0.023) 1.940 9.151 ( 1.089 4.008 0.368) 4.170 9.170 ( -0.593 3.808 -1.068) 3.999 9.184 ( -0.357 3.479 0.888) 3.608 9.239 ( -0.335 -5.424 -0.107) 5.436 9.397 ( 1.166 1.909 -0.019) 2.237 9.525 ( -1.296 4.178 0.074) 4.375 9.539 ( -1.640 2.987 -0.090) 3.409 9.612 ( 0.519 -4.797 -0.000) 4.824 9.801 ( 0.611 2.424 0.027) 2.500 9.856 ( -0.058 -0.873 -0.015) 0.875 9.905 ( 0.397 0.171 0.035) 0.434 9.933 ( 1.023 -0.760 -0.201) 1.290 9.947 ( -0.095 -1.213 0.196) 1.232 9.994 ( 0.056 -0.723 -0.038) 0.726 10.129 ( -0.017 -2.323 0.005) 2.323 10.162 ( 0.092 -2.674 0.002) 2.675 ======================= Grid point 30 (19/42) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 0.000 -1.540 0.000) 1.540 1.734 ( 0.000 -2.643 0.000) 2.643 1.748 ( 0.000 5.060 0.000) 5.060 1.783 ( 0.000 0.968 0.000) 0.968 1.826 ( 0.000 -0.126 0.000) 0.126 1.860 ( 0.000 -2.463 0.000) 2.463 1.948 ( 0.000 0.277 0.000) 0.277 1.958 ( 0.000 -0.437 0.000) 0.437 1.988 ( 0.000 -2.018 0.000) 2.018 1.994 ( 0.000 -3.025 0.000) 3.025 2.075 ( 0.000 5.391 0.000) 5.391 2.127 ( 0.000 4.918 0.000) 4.918 2.182 ( 0.000 -3.917 0.000) 3.917 2.200 ( 0.000 -1.381 0.000) 1.381 2.298 ( 0.000 4.392 0.000) 4.392 2.371 ( 0.000 -3.175 0.000) 3.175 2.388 ( 0.000 1.325 0.000) 1.325 2.412 ( 0.000 3.440 0.000) 3.440 2.431 ( 0.000 -1.561 0.000) 1.561 2.457 ( 0.000 -0.568 0.000) 0.568 2.485 ( 0.000 -1.362 0.000) 1.362 2.496 ( 0.000 -1.046 0.000) 1.046 2.619 ( 0.000 1.921 0.000) 1.921 2.642 ( 0.000 -0.421 0.000) 0.421 2.656 ( 0.000 0.308 0.000) 0.308 2.661 ( 0.000 -2.071 0.000) 2.071 2.716 ( 0.000 1.849 0.000) 1.849 2.718 ( 0.000 3.386 0.000) 3.386 2.799 ( 0.000 -4.275 0.000) 4.275 2.805 ( 0.000 -0.205 0.000) 0.205 2.894 ( 0.000 -4.199 0.000) 4.199 2.920 ( 0.000 -5.507 0.000) 5.507 2.993 ( 0.000 6.615 0.000) 6.615 3.156 ( 0.000 -8.314 0.000) 8.314 3.313 ( 0.000 1.479 0.000) 1.479 3.313 ( 0.000 1.195 0.000) 1.195 3.697 ( 0.000 1.086 0.000) 1.086 3.705 ( 0.000 0.679 0.000) 0.679 3.896 ( 0.000 3.718 0.000) 3.718 3.933 ( 0.000 -0.103 0.000) 0.103 4.205 ( 0.000 3.201 0.000) 3.201 4.214 ( 0.000 2.474 0.000) 2.474 4.356 ( 0.000 2.464 0.000) 2.464 4.362 ( 0.000 1.796 0.000) 1.796 4.521 ( 0.000 4.727 0.000) 4.727 4.522 ( 0.000 4.505 0.000) 4.505 4.570 ( 0.000 4.547 0.000) 4.547 4.600 ( 0.000 1.760 0.000) 1.760 4.757 ( 0.000 3.481 0.000) 3.481 4.767 ( 0.000 2.505 0.000) 2.505 5.529 ( 0.000 0.531 0.000) 0.531 5.532 ( 0.000 0.389 0.000) 0.389 5.564 ( 0.000 0.050 0.000) 0.050 5.575 ( 0.000 -1.198 0.000) 1.198 5.719 ( 0.000 2.260 0.000) 2.260 5.737 ( 0.000 0.535 0.000) 0.535 5.789 ( 0.000 4.847 0.000) 4.847 5.824 ( 0.000 4.847 0.000) 4.847 5.887 ( 0.000 -3.441 0.000) 3.441 5.899 ( 0.000 -0.366 0.000) 0.366 5.935 ( 0.000 3.387 0.000) 3.387 5.956 ( 0.000 1.175 0.000) 1.175 6.099 ( 0.000 1.640 0.000) 1.640 6.130 ( 0.000 -0.603 0.000) 0.603 6.181 ( 0.000 0.891 0.000) 0.891 6.211 ( 0.000 -1.484 0.000) 1.484 6.305 ( 0.000 1.112 0.000) 1.112 6.328 ( 0.000 -1.303 0.000) 1.303 6.374 ( 0.000 2.563 0.000) 2.563 6.399 ( 0.000 0.902 0.000) 0.902 6.467 ( 0.000 -0.879 0.000) 0.879 6.467 ( 0.000 -0.585 0.000) 0.585 6.675 ( 0.000 2.044 0.000) 2.044 6.713 ( 0.000 -1.649 0.000) 1.649 6.848 ( 0.000 3.520 0.000) 3.520 6.913 ( 0.000 -0.820 0.000) 0.820 6.954 ( 0.000 -0.517 0.000) 0.517 6.969 ( 0.000 -3.996 0.000) 3.996 7.193 ( 0.000 3.338 0.000) 3.338 7.208 ( 0.000 2.662 0.000) 2.662 7.292 ( 0.000 0.115 0.000) 0.115 7.312 ( 0.000 -0.799 0.000) 0.799 7.421 ( 0.000 2.471 0.000) 2.471 7.468 ( 0.000 -1.925 0.000) 1.925 7.524 ( 0.000 1.896 0.000) 1.896 7.540 ( 0.000 0.540 0.000) 0.540 7.689 ( 0.000 0.979 0.000) 0.979 7.708 ( 0.000 -1.068 0.000) 1.068 7.977 ( 0.000 1.054 0.000) 1.054 7.982 ( 0.000 0.223 0.000) 0.223 8.032 ( 0.000 -0.052 0.000) 0.052 8.033 ( 0.000 0.759 0.000) 0.759 8.103 ( 0.000 -0.079 0.000) 0.079 8.148 ( 0.000 -3.201 0.000) 3.201 8.261 ( 0.000 0.995 0.000) 0.995 8.270 ( 0.000 -0.201 0.000) 0.201 8.423 ( 0.000 0.692 0.000) 0.692 8.427 ( 0.000 0.308 0.000) 0.308 8.578 ( 0.000 1.317 0.000) 1.317 8.594 ( 0.000 -0.405 0.000) 0.405 8.832 ( 0.000 7.790 0.000) 7.790 8.952 ( 0.000 1.888 0.000) 1.888 8.952 ( 0.000 0.548 0.000) 0.548 8.989 ( 0.000 -6.052 0.000) 6.052 9.214 ( 0.000 3.369 0.000) 3.369 9.223 ( 0.000 1.173 0.000) 1.173 9.231 ( 0.000 0.914 0.000) 0.914 9.250 ( 0.000 -0.438 0.000) 0.438 9.397 ( 0.000 4.650 0.000) 4.650 9.492 ( 0.000 -4.786 0.000) 4.786 9.638 ( 0.000 1.347 0.000) 1.347 9.643 ( 0.000 0.615 0.000) 0.615 9.825 ( 0.000 1.944 0.000) 1.944 9.846 ( 0.000 -0.212 0.000) 0.212 9.887 ( 0.000 -0.139 0.000) 0.139 9.901 ( 0.000 -1.377 0.000) 1.377 9.910 ( 0.000 1.161 0.000) 1.161 9.944 ( 0.000 -2.064 0.000) 2.064 10.108 ( 0.000 -0.191 0.000) 0.191 10.119 ( 0.000 -1.176 0.000) 1.176 ======================= Grid point 31 (20/42) ======================= q-point: ( 0.20 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( -2.281 1.171 0.019) 2.564 1.727 ( 0.114 -2.182 0.041) 2.185 1.755 ( -0.529 2.444 1.075) 2.721 1.781 ( -0.316 -0.109 -1.162) 1.209 1.822 ( -0.187 0.903 -0.115) 0.929 1.856 ( -1.240 -2.226 -0.065) 2.549 1.913 ( -1.735 1.044 -0.317) 2.050 1.934 ( -1.513 -0.459 0.251) 1.601 2.001 ( 1.369 -0.998 1.217) 2.086 2.018 ( 0.296 -2.340 -0.320) 2.380 2.065 ( -0.205 4.160 -0.050) 4.165 2.139 ( 0.283 2.937 -0.043) 2.951 2.156 ( -2.054 -2.887 0.481) 3.576 2.172 ( -1.961 2.300 -1.833) 3.535 2.303 ( -1.699 1.791 -0.348) 2.493 2.316 ( -4.561 -0.839 2.649) 5.341 2.366 ( -2.457 -0.047 -1.873) 3.089 2.394 ( -0.248 -2.913 1.454) 3.265 2.417 ( -0.597 3.453 0.198) 3.510 2.441 ( -0.620 -0.467 -0.294) 0.830 2.469 ( -2.865 -1.545 -1.183) 3.463 2.492 ( -1.276 -1.218 -1.692) 2.444 2.598 ( -1.208 -0.584 0.552) 1.451 2.623 ( -0.978 2.856 1.482) 3.363 2.627 ( 2.064 -2.178 -0.310) 3.016 2.661 ( 0.015 0.573 0.235) 0.619 2.752 ( 3.228 2.898 -0.334) 4.351 2.792 ( 3.644 -0.209 1.449) 3.927 2.824 ( 3.304 -1.780 -1.314) 3.976 2.843 ( 4.379 -3.099 -1.332) 5.528 2.955 ( 5.748 3.029 4.064) 7.663 3.034 ( 4.574 0.145 -2.701) 5.314 3.052 ( 7.374 -5.914 4.189) 10.339 3.131 ( -1.288 -6.515 -4.585) 8.070 3.309 ( -0.321 1.531 0.195) 1.577 3.315 ( 0.062 1.199 -0.533) 1.314 3.690 ( -1.568 1.074 0.924) 2.113 3.695 ( -0.956 0.637 1.313) 1.745 3.880 ( -1.949 2.928 -1.030) 3.665 3.911 ( -2.432 -0.186 -1.010) 2.640 4.173 ( -3.336 4.179 0.831) 5.411 4.177 ( -3.396 3.941 0.222) 5.207 4.305 ( -2.991 0.757 -0.010) 3.086 4.307 ( -3.304 0.445 -0.104) 3.335 4.501 ( -0.620 5.836 -0.017) 5.869 4.542 ( 0.591 1.819 0.133) 1.917 4.623 ( 3.556 5.164 -0.190) 6.273 4.647 ( 3.704 2.556 -0.874) 4.585 4.756 ( -0.247 3.797 0.293) 3.816 4.764 ( -0.316 3.152 0.409) 3.194 5.472 ( -4.760 0.673 0.332) 4.819 5.478 ( -4.052 -0.005 -0.305) 4.063 5.603 ( 3.397 0.230 0.011) 3.405 5.614 ( 3.666 -0.853 0.058) 3.765 5.739 ( 0.142 2.559 -0.145) 2.567 5.760 ( 2.415 1.200 -0.542) 2.751 5.808 ( 2.663 5.744 1.192) 6.443 5.867 ( 1.374 4.267 -0.225) 4.488 5.904 ( 5.013 -1.510 -0.286) 5.243 5.939 ( 0.706 2.529 0.250) 2.637 5.956 ( 2.509 -0.998 -0.026) 2.701 5.977 ( 3.507 -0.793 -0.958) 3.721 6.097 ( 0.372 2.131 0.068) 2.164 6.149 ( 1.578 -1.309 1.651) 2.632 6.184 ( -0.276 0.812 0.074) 0.861 6.212 ( -0.042 -1.747 -0.323) 1.777 6.317 ( 0.738 1.565 -0.132) 1.735 6.346 ( 1.322 -1.769 -0.786) 2.344 6.359 ( -0.198 2.808 -1.046) 3.003 6.395 ( -0.434 -0.344 0.157) 0.576 6.445 ( -1.756 0.418 -0.120) 1.809 6.464 ( -0.762 -1.300 -0.378) 1.554 6.656 ( -2.070 2.101 0.831) 3.064 6.699 ( -1.160 -1.775 1.725) 2.734 6.822 ( -2.439 4.485 -0.170) 5.108 6.905 ( -1.001 -1.708 -0.639) 2.080 6.956 ( 0.095 -0.668 0.000) 0.675 6.973 ( 0.691 -3.217 -0.087) 3.292 7.167 ( -2.030 2.959 -0.133) 3.591 7.198 ( -1.536 0.602 -0.236) 1.666 7.265 ( -2.460 1.672 -0.222) 2.982 7.295 ( -2.056 -0.286 -0.378) 2.109 7.405 ( -1.832 2.140 1.324) 3.112 7.445 ( -2.438 -1.389 1.066) 3.002 7.503 ( -1.909 2.271 -1.932) 3.540 7.537 ( -0.215 -0.783 0.342) 0.881 7.650 ( -2.545 2.615 -0.201) 3.654 7.704 ( -0.037 -2.602 -0.018) 2.603 7.986 ( 1.146 2.400 0.034) 2.660 8.016 ( -0.010 1.296 0.263) 1.322 8.032 ( 4.182 0.743 0.317) 4.259 8.082 ( 0.666 -2.670 -0.431) 2.785 8.105 ( 3.085 1.330 -0.254) 3.369 8.154 ( 0.920 -2.568 1.002) 2.906 8.280 ( 2.113 1.646 -0.590) 2.742 8.297 ( 1.680 -0.152 -0.679) 1.818 8.444 ( 2.104 1.370 0.603) 2.582 8.457 ( 2.579 0.182 -0.101) 2.588 8.525 ( -5.267 0.770 -0.195) 5.327 8.541 ( -5.102 -0.813 0.180) 5.170 8.839 ( 0.597 7.383 0.097) 7.407 8.950 ( -0.066 2.057 -0.114) 2.061 8.955 ( 0.258 0.581 -0.260) 0.687 8.991 ( 0.102 -6.181 0.312) 6.189 9.208 ( -0.544 2.356 0.003) 2.418 9.216 ( -1.132 0.747 0.068) 1.358 9.230 ( 0.025 1.138 0.278) 1.172 9.237 ( -0.520 0.752 -0.347) 0.978 9.420 ( 1.884 3.785 -0.018) 4.228 9.503 ( 0.949 -4.470 0.007) 4.569 9.614 ( -2.294 1.141 -0.015) 2.562 9.618 ( -2.404 0.668 0.017) 2.496 9.829 ( 0.502 1.552 -0.072) 1.632 9.846 ( 0.043 -0.319 0.052) 0.326 9.901 ( 1.301 -0.030 0.008) 1.302 9.912 ( 0.985 -1.046 -0.005) 1.437 9.917 ( 0.671 1.580 0.026) 1.716 9.957 ( 0.984 -2.039 -0.012) 2.264 10.107 ( -0.134 -0.109 0.000) 0.173 10.120 ( 0.085 -1.307 -0.001) 1.310 ======================= Grid point 32 (21/42) ======================= q-point: ( 0.40 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -0.837 2.770 0.124) 2.897 1.731 ( 0.327 -3.171 -0.498) 3.226 1.740 ( -0.716 2.222 0.372) 2.364 1.763 ( -1.262 -0.888 -0.012) 1.543 1.805 ( -1.150 3.217 -0.130) 3.419 1.841 ( 0.015 -0.850 -0.152) 0.864 1.902 ( 0.074 0.318 -0.237) 0.404 1.911 ( -0.953 -1.043 0.323) 1.449 1.996 ( -1.194 3.293 0.847) 3.604 2.034 ( 1.329 -1.897 0.314) 2.338 2.081 ( 1.266 -0.087 -0.373) 1.322 2.111 ( -1.724 -1.248 -0.514) 2.189 2.128 ( -1.245 1.419 -0.116) 1.891 2.156 ( -0.272 2.859 -0.395) 2.899 2.218 ( -2.813 1.136 0.831) 3.146 2.276 ( -1.772 -2.907 -0.103) 3.406 2.348 ( 0.261 1.590 -0.502) 1.688 2.376 ( -1.945 -1.350 0.532) 2.427 2.408 ( -0.100 2.907 0.091) 2.910 2.431 ( 0.244 -0.180 -0.187) 0.357 2.453 ( 0.726 -1.546 -0.668) 1.834 2.490 ( 0.175 -2.887 -0.958) 3.047 2.590 ( -0.173 2.310 0.111) 2.319 2.604 ( -0.950 3.033 1.220) 3.404 2.651 ( 0.311 -1.320 2.199) 2.583 2.659 ( 0.189 -2.798 -2.817) 3.975 2.800 ( 0.554 4.117 1.275) 4.346 2.840 ( 2.990 -1.168 0.109) 3.212 2.911 ( 4.418 -0.657 1.393) 4.679 2.938 ( 2.616 -2.687 -0.041) 3.751 3.042 ( 0.522 -0.203 0.125) 0.574 3.059 ( 1.588 -2.402 -3.005) 4.162 3.125 ( 2.421 -2.278 -0.390) 3.347 3.178 ( 2.842 -5.973 1.101) 6.706 3.307 ( 0.112 1.356 0.532) 1.461 3.312 ( -0.166 1.070 -0.672) 1.274 3.660 ( -0.916 1.862 -0.147) 2.081 3.672 ( -1.376 0.760 0.610) 1.686 3.814 ( -3.631 2.545 -0.238) 4.441 3.848 ( -3.170 -0.764 0.078) 3.262 4.131 ( -0.932 3.951 0.236) 4.066 4.132 ( -0.889 3.995 -0.165) 4.096 4.271 ( -0.806 0.229 -0.121) 0.847 4.280 ( -0.229 -0.411 0.020) 0.471 4.499 ( 0.300 5.944 0.085) 5.952 4.548 ( 0.073 1.216 0.132) 1.226 4.666 ( 1.343 4.901 -0.285) 5.089 4.684 ( -0.005 2.951 -0.399) 2.978 4.754 ( 0.135 4.542 0.249) 4.551 4.762 ( 0.089 3.696 0.240) 3.705 5.402 ( -2.198 0.755 0.175) 2.331 5.418 ( -1.871 -0.818 -0.139) 2.047 5.661 ( 2.063 1.258 0.167) 2.422 5.675 ( 1.990 -0.029 0.040) 1.991 5.748 ( 0.581 4.131 -0.499) 4.201 5.789 ( 1.381 1.145 -0.050) 1.794 5.857 ( 0.438 4.834 -0.849) 4.928 5.873 ( 0.756 1.950 1.478) 2.561 5.944 ( 0.253 4.180 -0.231) 4.194 5.968 ( 0.759 1.790 -0.227) 1.957 6.042 ( 5.901 -2.048 0.228) 6.251 6.066 ( 4.511 -2.291 -0.672) 5.104 6.101 ( -0.349 0.980 0.004) 1.040 6.150 ( -1.548 -2.768 0.406) 3.197 6.201 ( 2.254 -0.279 0.791) 2.405 6.210 ( -0.674 -1.702 0.127) 1.835 6.309 ( -0.795 1.687 -0.483) 1.927 6.326 ( -2.292 0.409 0.233) 2.340 6.379 ( -0.228 1.354 -1.166) 1.801 6.389 ( -0.043 0.077 0.045) 0.099 6.428 ( 0.420 -0.006 0.170) 0.453 6.449 ( -0.098 -1.591 -0.133) 1.599 6.623 ( -0.952 2.661 -0.047) 2.827 6.686 ( -0.632 -3.447 0.732) 3.580 6.777 ( -1.784 6.002 0.046) 6.262 6.877 ( -1.402 -2.415 -0.136) 2.796 6.959 ( 0.191 0.002 -0.032) 0.194 6.992 ( 0.971 -3.755 -0.135) 3.881 7.139 ( -0.414 2.574 0.138) 2.611 7.165 ( -1.798 0.016 0.337) 1.829 7.215 ( -1.953 3.039 0.065) 3.613 7.245 ( -2.500 0.007 0.106) 2.503 7.384 ( 0.025 1.058 -0.140) 1.068 7.407 ( -1.588 -1.001 0.191) 1.886 7.463 ( -1.442 2.845 -0.585) 3.242 7.517 ( -1.501 -2.420 -0.304) 2.864 7.635 ( 0.364 4.328 0.176) 4.347 7.712 ( 0.532 -3.415 -0.012) 3.456 7.995 ( -0.058 2.756 -0.134) 2.760 8.018 ( -0.005 0.718 0.287) 0.774 8.079 ( 0.544 2.377 0.458) 2.481 8.121 ( 2.954 -1.975 0.133) 3.556 8.191 ( 5.121 0.161 -0.619) 5.161 8.198 ( 3.788 -0.264 -0.244) 3.805 8.305 ( -0.633 1.538 0.617) 1.774 8.310 ( 0.135 1.009 0.014) 1.018 8.402 ( -5.698 1.010 0.013) 5.787 8.409 ( -5.250 0.159 -0.628) 5.290 8.507 ( 2.073 -0.178 -0.227) 2.093 8.513 ( 1.373 -0.785 0.457) 1.646 8.848 ( 0.228 6.824 0.077) 6.829 8.948 ( -0.137 2.101 0.096) 2.107 8.961 ( 0.285 0.861 -0.322) 0.962 8.993 ( 0.056 -6.636 0.185) 6.639 9.194 ( -0.707 0.895 -0.099) 1.145 9.199 ( -0.349 0.797 0.130) 0.880 9.232 ( 0.150 1.499 -0.207) 1.520 9.234 ( -0.014 1.310 0.181) 1.322 9.448 ( 0.874 3.008 -0.014) 3.132 9.518 ( 0.411 -3.916 0.009) 3.938 9.574 ( -1.420 0.859 -0.038) 1.660 9.576 ( -1.473 0.608 0.035) 1.594 9.840 ( 0.489 1.101 -0.053) 1.206 9.848 ( 0.135 -0.092 0.043) 0.169 9.923 ( 0.709 0.310 0.124) 0.783 9.925 ( 0.482 0.783 -0.203) 0.942 9.930 ( 0.460 0.135 0.092) 0.488 9.970 ( 0.368 -1.940 -0.003) 1.975 10.105 ( -0.075 -0.026 0.000) 0.079 10.121 ( 0.027 -1.477 -0.001) 1.477 ======================= Grid point 65 (22/42) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 21 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.324 ( 0.000 0.000 0.000) 0.000 0.411 ( -0.000 0.000 0.000) 0.000 0.424 ( 0.000 0.000 0.000) 0.000 0.628 ( 0.000 0.000 0.000) 0.000 0.773 ( 0.000 0.000 0.000) 0.000 0.847 ( 0.000 0.000 -0.000) 0.000 1.063 ( 0.000 0.000 0.000) 0.000 1.201 ( 0.000 0.000 0.000) 0.000 1.325 ( 0.000 0.000 0.000) 0.000 1.487 ( 0.000 0.000 0.000) 0.000 1.512 ( -0.000 0.000 0.000) 0.000 1.553 ( 0.000 0.000 0.000) 0.000 1.595 ( 0.000 0.000 0.000) 0.000 1.646 ( -0.000 0.000 -0.000) 0.000 1.651 ( 0.000 0.000 0.000) 0.000 1.748 ( -0.000 0.000 0.000) 0.000 1.767 ( -0.000 0.000 0.000) 0.000 1.773 ( 0.000 0.000 0.000) 0.000 1.883 ( -0.000 0.000 -0.000) 0.000 1.890 ( 0.000 0.000 0.000) 0.000 1.901 ( -0.000 0.000 0.000) 0.000 2.077 ( 0.000 0.000 0.000) 0.000 2.148 ( 0.000 0.000 0.000) 0.000 2.157 ( -0.000 0.000 0.000) 0.000 2.195 ( -0.000 0.000 0.000) 0.000 2.283 ( 0.000 0.000 0.000) 0.000 2.283 ( -0.000 0.000 0.000) 0.000 2.349 ( 0.000 0.000 0.000) 0.000 2.361 ( 0.000 0.000 0.000) 0.000 2.430 ( 0.000 0.000 0.000) 0.000 2.611 ( -0.000 0.000 0.000) 0.000 2.649 ( 0.000 0.000 0.000) 0.000 2.746 ( 0.000 0.000 0.000) 0.000 2.900 ( 0.000 0.000 0.000) 0.000 2.956 ( -0.000 0.000 0.000) 0.000 3.146 ( -0.000 0.000 0.000) 0.000 3.263 ( 0.000 0.000 0.000) 0.000 3.357 ( -0.000 0.000 0.000) 0.000 3.818 ( -0.000 0.000 0.000) 0.000 3.828 ( 0.000 0.000 0.000) 0.000 3.929 ( -0.000 0.000 0.000) 0.000 3.950 ( 0.000 0.000 -0.000) 0.000 4.185 ( 0.000 0.000 -0.000) 0.000 4.190 ( -0.000 0.000 0.000) 0.000 4.217 ( 0.000 0.000 0.000) 0.000 4.319 ( 0.000 0.000 0.000) 0.000 4.509 ( 0.000 0.000 0.000) 0.000 4.578 ( 0.000 0.000 0.000) 0.000 4.628 ( 0.000 0.000 0.000) 0.000 4.643 ( 0.000 0.000 0.000) 0.000 4.645 ( -0.000 0.000 0.000) 0.000 4.892 ( 0.000 0.000 0.000) 0.000 5.053 ( 0.000 0.000 0.000) 0.000 5.144 ( 0.000 0.000 0.000) 0.000 5.420 ( 0.000 0.000 0.000) 0.000 5.440 ( -0.000 0.000 0.000) 0.000 5.468 ( 0.000 0.000 0.000) 0.000 5.513 ( 0.000 0.000 0.000) 0.000 5.594 ( 0.000 0.000 0.000) 0.000 5.703 ( 0.000 0.000 0.000) 0.000 5.768 ( -0.000 0.000 -0.000) 0.000 5.781 ( 0.000 0.000 0.000) 0.000 5.790 ( 0.000 0.000 0.000) 0.000 5.842 ( 0.000 0.000 0.000) 0.000 5.879 ( -0.000 0.000 0.000) 0.000 5.981 ( 0.000 0.000 0.000) 0.000 6.013 ( 0.000 0.000 0.000) 0.000 6.088 ( 0.000 0.000 0.000) 0.000 6.106 ( -0.000 0.000 0.000) 0.000 6.314 ( 0.000 0.000 0.000) 0.000 6.319 ( -0.000 0.000 0.000) 0.000 6.336 ( 0.000 0.000 0.000) 0.000 6.465 ( 0.000 0.000 0.000) 0.000 6.511 ( 0.000 0.000 0.000) 0.000 6.747 ( 0.000 0.000 0.000) 0.000 6.806 ( 0.000 0.000 0.000) 0.000 6.880 ( -0.000 0.000 0.000) 0.000 6.948 ( 0.000 0.000 0.000) 0.000 7.044 ( 0.000 0.000 0.000) 0.000 7.049 ( 0.000 0.000 0.000) 0.000 7.061 ( 0.000 0.000 0.000) 0.000 7.109 ( 0.000 0.000 0.000) 0.000 7.113 ( -0.000 0.000 -0.000) 0.000 7.164 ( 0.000 0.000 0.000) 0.000 7.342 ( 0.000 0.000 0.000) 0.000 7.518 ( -0.000 0.000 0.000) 0.000 7.563 ( 0.000 0.000 0.000) 0.000 7.607 ( 0.000 0.000 0.000) 0.000 7.614 ( 0.000 0.000 0.000) 0.000 7.796 ( 0.000 0.000 0.000) 0.000 7.844 ( 0.000 0.000 0.000) 0.000 8.000 ( 0.000 0.000 0.000) 0.000 8.103 ( 0.000 0.000 0.000) 0.000 8.103 ( -0.000 0.000 0.000) 0.000 8.104 ( 0.000 0.000 0.000) 0.000 8.164 ( 0.000 0.000 0.000) 0.000 8.239 ( 0.000 0.000 0.000) 0.000 8.244 ( 0.000 0.000 0.000) 0.000 8.336 ( -0.000 0.000 0.000) 0.000 8.388 ( 0.000 0.000 0.000) 0.000 8.500 ( -0.000 0.000 0.000) 0.000 8.579 ( 0.000 0.000 0.000) 0.000 8.634 ( 0.000 0.000 0.000) 0.000 8.668 ( -0.000 0.000 -0.000) 0.000 8.699 ( 0.000 0.000 0.000) 0.000 8.867 ( 0.000 0.000 0.000) 0.000 8.995 ( 0.000 0.000 0.000) 0.000 9.123 ( 0.000 0.000 0.000) 0.000 9.191 ( 0.000 0.000 0.000) 0.000 9.514 ( 0.000 0.000 0.000) 0.000 9.676 ( 0.000 0.000 0.000) 0.000 9.741 ( 0.000 0.000 0.000) 0.000 9.978 ( 0.000 0.000 0.000) 0.000 10.031 ( 0.000 0.000 0.000) 0.000 10.047 ( -0.000 0.000 -0.000) 0.000 10.134 ( 0.000 0.000 0.000) 0.000 10.157 ( -0.000 0.000 0.000) 0.000 10.270 ( 0.000 0.000 0.000) 0.000 10.519 ( 0.000 0.000 0.000) 0.000 10.765 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 67 (23/42) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 17.476 0.000 3.716) 17.867 0.553 ( 8.552 0.000 -4.755) 9.785 0.554 ( 12.722 0.000 -3.413) 13.171 0.772 ( 19.073 0.000 10.136) 21.599 0.796 ( 2.758 0.000 0.250) 2.769 1.058 ( -0.336 0.000 -1.273) 1.316 1.157 ( 17.638 0.000 6.985) 18.971 1.334 ( 0.075 0.000 1.581) 1.583 1.351 ( 19.794 0.000 -19.830) 28.018 1.435 ( -7.528 0.000 -0.293) 7.534 1.492 ( -11.934 0.000 0.321) 11.939 1.520 ( -3.882 0.000 -0.060) 3.882 1.542 ( -2.725 0.000 -1.326) 3.030 1.621 ( -1.037 0.000 -0.940) 1.400 1.631 ( 8.377 0.000 6.079) 10.351 1.676 ( 0.479 0.000 0.494) 0.688 1.757 ( -0.415 0.000 0.119) 0.432 1.796 ( -5.924 0.000 1.154) 6.036 1.863 ( -2.683 0.000 -0.053) 2.683 1.888 ( -1.834 0.000 2.750) 3.306 1.897 ( -0.413 0.000 -0.005) 0.413 1.937 ( -5.325 0.000 -0.043) 5.325 2.106 ( -2.827 0.000 0.423) 2.859 2.116 ( -2.723 0.000 -0.398) 2.752 2.186 ( -3.052 0.000 1.345) 3.335 2.291 ( -4.698 0.000 0.908) 4.785 2.322 ( 2.948 0.000 -0.029) 2.949 2.327 ( 2.929 0.000 0.024) 2.929 2.397 ( -2.627 0.000 -5.052) 5.694 2.441 ( -11.406 0.000 1.503) 11.504 2.557 ( 3.489 0.000 -3.245) 4.765 2.623 ( 4.967 0.000 5.479) 7.396 2.737 ( -5.092 0.000 -1.453) 5.295 2.799 ( -3.467 0.000 -0.610) 3.521 2.895 ( -4.217 0.000 -1.304) 4.414 3.136 ( 6.987 0.000 -2.043) 7.279 3.435 ( 4.938 0.000 2.072) 5.355 3.525 ( -15.769 0.000 -0.771) 15.788 3.619 ( 10.334 0.000 1.380) 10.426 3.673 ( -13.781 0.000 1.703) 13.886 3.875 ( 0.349 0.000 0.576) 0.673 3.909 ( -5.960 0.000 -4.004) 7.180 4.072 ( -1.007 0.000 0.883) 1.339 4.273 ( 4.551 0.000 5.704) 7.297 4.299 ( -1.067 0.000 -2.271) 2.509 4.425 ( 4.563 0.000 -0.122) 4.564 4.500 ( 1.545 0.000 -1.234) 1.977 4.573 ( 0.939 0.000 0.423) 1.030 4.637 ( 0.818 0.000 0.014) 0.818 4.643 ( -0.390 0.000 -1.811) 1.852 4.651 ( 0.792 0.000 -0.015) 0.792 4.937 ( 4.489 0.000 1.056) 4.611 5.052 ( -0.163 0.000 0.007) 0.163 5.144 ( -0.080 0.000 -0.012) 0.081 5.426 ( 0.581 0.000 -0.049) 0.583 5.447 ( 0.637 0.000 0.060) 0.639 5.452 ( -2.125 0.000 -2.969) 3.651 5.513 ( -0.257 0.000 0.955) 0.989 5.619 ( 5.203 0.000 0.236) 5.208 5.679 ( 3.312 0.000 -1.082) 3.484 5.770 ( -0.311 0.000 -0.108) 0.329 5.794 ( 0.392 0.000 -0.037) 0.394 5.825 ( 0.829 0.000 1.247) 1.497 5.875 ( -0.456 0.000 0.016) 0.456 5.950 ( 6.021 0.000 -6.418) 8.800 5.993 ( -1.672 0.000 0.033) 1.672 6.006 ( 2.370 0.000 -0.279) 2.386 6.086 ( 0.094 0.000 0.065) 0.114 6.130 ( 1.828 0.000 -0.081) 1.830 6.303 ( -0.917 0.000 0.002) 0.917 6.313 ( -1.661 0.000 -2.484) 2.988 6.341 ( -2.561 0.000 1.390) 2.914 6.462 ( 5.609 0.000 6.432) 8.534 6.532 ( 2.195 0.000 -0.017) 2.195 6.687 ( -12.765 0.000 1.645) 12.870 6.723 ( -2.496 0.000 0.014) 2.496 6.824 ( -13.235 0.000 -3.418) 13.669 6.897 ( -1.322 0.000 -2.227) 2.590 7.029 ( 2.179 0.000 4.366) 4.880 7.032 ( -1.113 0.000 -0.003) 1.113 7.047 ( -0.264 0.000 0.002) 0.264 7.079 ( -2.137 0.000 -1.962) 2.900 7.124 ( -0.052 0.000 -1.097) 1.098 7.257 ( 7.210 0.000 6.408) 9.645 7.287 ( -0.397 0.000 -6.945) 6.956 7.457 ( -4.452 0.000 -1.632) 4.741 7.546 ( -4.159 0.000 -0.861) 4.247 7.564 ( 0.078 0.000 -0.000) 0.078 7.644 ( 1.530 0.000 -1.571) 2.193 7.837 ( 4.139 0.000 1.740) 4.490 7.840 ( -0.381 0.000 -0.002) 0.381 7.948 ( -8.811 0.000 -1.745) 8.982 8.047 ( 0.846 0.000 -3.632) 3.729 8.106 ( 0.237 0.000 -0.140) 0.276 8.112 ( 0.741 0.000 0.156) 0.757 8.166 ( -1.357 0.000 0.285) 1.387 8.239 ( 0.080 0.000 -0.098) 0.126 8.247 ( 0.256 0.000 0.084) 0.270 8.321 ( -1.149 0.000 2.438) 2.695 8.446 ( -2.442 0.000 3.918) 4.617 8.490 ( 6.266 0.000 -3.673) 7.263 8.501 ( 0.084 0.000 0.000) 0.084 8.577 ( -0.182 0.000 -0.000) 0.182 8.714 ( 0.620 0.000 1.704) 1.814 8.793 ( 1.858 0.000 0.472) 1.917 8.906 ( 3.527 0.000 2.642) 4.407 9.023 ( 1.820 0.000 -0.133) 1.825 9.075 ( -1.616 0.000 -1.721) 2.361 9.194 ( -1.624 0.000 1.209) 2.025 9.361 ( -8.866 0.000 0.651) 8.890 9.679 ( 0.539 0.000 0.680) 0.868 9.854 ( 2.882 0.000 -1.260) 3.145 9.952 ( 2.730 0.000 1.739) 3.236 10.001 ( -1.284 0.000 0.741) 1.483 10.135 ( 3.874 0.000 -0.378) 3.892 10.162 ( 2.590 0.000 -1.564) 3.026 10.257 ( 0.735 0.000 0.946) 1.198 10.289 ( 5.682 0.000 -3.879) 6.880 10.520 ( 0.126 0.000 -0.105) 0.164 10.677 ( -6.828 0.000 1.940) 7.099 ======================= Grid point 68 (24/42) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 3.798 0.000 -0.137) 3.800 0.795 ( 14.902 0.000 -0.599) 14.914 0.886 ( 17.796 0.000 1.323) 17.845 0.900 ( 7.251 0.000 0.252) 7.255 1.053 ( 0.387 0.000 -2.828) 2.854 1.085 ( 12.734 0.000 6.515) 14.304 1.143 ( -14.142 0.000 -2.966) 14.449 1.216 ( -13.047 0.000 1.125) 13.096 1.317 ( -5.526 0.000 0.726) 5.573 1.359 ( -6.414 0.000 -4.810) 8.017 1.448 ( -1.529 0.000 -0.273) 1.553 1.528 ( 6.613 0.000 -1.805) 6.855 1.607 ( -0.358 0.000 -0.240) 0.431 1.676 ( -0.044 0.000 0.118) 0.126 1.678 ( -5.268 0.000 7.662) 9.298 1.755 ( -0.281 0.000 -0.102) 0.299 1.774 ( -0.620 0.000 -6.294) 6.324 1.798 ( 19.868 0.000 -0.475) 19.873 1.817 ( -1.411 0.000 0.030) 1.411 1.890 ( -0.277 0.000 0.025) 0.278 1.927 ( 4.459 0.000 5.925) 7.415 1.953 ( 7.216 0.000 -1.178) 7.311 2.073 ( -0.845 0.000 0.176) 0.863 2.083 ( -0.793 0.000 -0.165) 0.810 2.138 ( -7.201 0.000 -0.357) 7.210 2.166 ( -9.336 0.000 1.856) 9.519 2.215 ( 6.552 0.000 -2.901) 7.166 2.346 ( -0.652 0.000 -3.471) 3.532 2.362 ( 1.132 0.000 0.003) 1.132 2.366 ( 1.100 0.000 -0.005) 1.100 2.552 ( -6.794 0.000 2.835) 7.362 2.618 ( -10.844 0.000 -2.555) 11.141 2.696 ( 0.135 0.000 7.019) 7.020 2.783 ( 2.845 0.000 -1.930) 3.438 2.937 ( 1.908 0.000 1.465) 2.405 3.090 ( -8.783 0.000 -5.609) 10.421 3.239 ( -0.351 0.000 -4.358) 4.372 3.384 ( -10.123 0.000 2.969) 10.550 3.570 ( 4.341 0.000 7.991) 9.094 3.735 ( -9.735 0.000 -5.174) 11.025 3.870 ( 11.500 0.000 2.430) 11.754 3.989 ( 3.539 0.000 -2.040) 4.085 4.103 ( 4.236 0.000 0.329) 4.249 4.192 ( -5.550 0.000 -2.651) 6.150 4.342 ( -1.190 0.000 3.039) 3.263 4.435 ( -0.568 0.000 1.568) 1.667 4.519 ( 0.508 0.000 -1.190) 1.294 4.609 ( 0.902 0.000 -1.302) 1.584 4.645 ( 1.212 0.000 -0.414) 1.281 4.651 ( 0.508 0.000 0.011) 0.508 4.665 ( 0.471 0.000 -0.011) 0.471 5.022 ( 3.123 0.000 0.403) 3.149 5.049 ( -0.082 0.000 0.004) 0.082 5.142 ( -0.058 0.000 -0.007) 0.059 5.419 ( -0.774 0.000 -0.913) 1.197 5.436 ( 0.357 0.000 -0.027) 0.358 5.458 ( 0.404 0.000 0.034) 0.406 5.505 ( -0.392 0.000 0.285) 0.485 5.736 ( 4.749 0.000 -1.124) 4.880 5.749 ( 1.285 0.000 -0.280) 1.315 5.789 ( 4.409 0.000 1.338) 4.608 5.801 ( 0.286 0.000 -0.029) 0.288 5.837 ( 0.969 0.000 0.462) 1.073 5.866 ( -0.310 0.000 0.018) 0.311 5.954 ( -4.359 0.000 -1.080) 4.491 5.968 ( -0.813 0.000 0.013) 0.813 6.048 ( 1.745 0.000 -0.619) 1.852 6.087 ( 0.005 0.000 0.035) 0.035 6.159 ( 1.040 0.000 -0.050) 1.041 6.259 ( 0.175 0.000 0.559) 0.586 6.288 ( -0.560 0.000 0.011) 0.560 6.402 ( 0.033 0.000 -2.326) 2.326 6.426 ( -5.735 0.000 -0.923) 5.808 6.490 ( -2.867 0.000 3.026) 4.168 6.585 ( 3.264 0.000 -0.009) 3.264 6.663 ( -3.590 0.000 0.006) 3.590 6.738 ( -0.260 0.000 4.242) 4.250 6.856 ( -1.319 0.000 -4.850) 5.026 6.999 ( -1.597 0.000 0.540) 1.686 7.013 ( -0.675 0.000 0.014) 0.675 7.043 ( -0.135 0.000 -0.012) 0.136 7.060 ( -1.090 0.000 -1.009) 1.486 7.184 ( 4.083 0.000 2.330) 4.701 7.257 ( -1.993 0.000 -7.054) 7.330 7.304 ( -4.739 0.000 6.823) 8.307 7.358 ( -0.152 0.000 -0.676) 0.693 7.545 ( 1.706 0.000 -1.294) 2.141 7.565 ( 0.036 0.000 -0.003) 0.036 7.661 ( 0.591 0.000 -0.433) 0.732 7.828 ( -2.821 0.000 -1.052) 3.011 7.834 ( -0.198 0.000 0.007) 0.198 7.929 ( 3.874 0.000 4.853) 6.210 8.024 ( -2.561 0.000 -4.593) 5.258 8.110 ( 0.139 0.000 -0.139) 0.197 8.125 ( 0.416 0.000 0.150) 0.442 8.165 ( 0.664 0.000 0.863) 1.089 8.241 ( 0.058 0.000 -0.061) 0.084 8.252 ( 0.160 0.000 0.045) 0.166 8.307 ( -0.415 0.000 2.566) 2.600 8.470 ( 1.656 0.000 -0.668) 1.785 8.502 ( 0.061 0.000 0.000) 0.061 8.574 ( -0.122 0.000 -0.000) 0.122 8.604 ( 5.929 0.000 -1.308) 6.071 8.710 ( -1.242 0.000 1.257) 1.767 8.777 ( -2.288 0.000 -0.246) 2.302 8.984 ( 3.772 0.000 2.338) 4.438 9.037 ( -0.263 0.000 -0.663) 0.714 9.078 ( 1.340 0.000 -3.669) 3.906 9.130 ( -4.351 0.000 2.334) 4.938 9.250 ( -2.815 0.000 -0.484) 2.856 9.692 ( 0.528 0.000 0.227) 0.575 9.883 ( 1.187 0.000 0.234) 1.210 9.940 ( -1.981 0.000 -1.190) 2.311 10.032 ( 1.769 0.000 1.750) 2.489 10.187 ( 1.599 0.000 -1.987) 2.550 10.199 ( 0.666 0.000 0.936) 1.149 10.275 ( 2.185 0.000 2.891) 3.624 10.326 ( -0.812 0.000 -3.641) 3.730 10.523 ( 0.121 0.000 -0.105) 0.160 10.589 ( -2.511 0.000 1.012) 2.707 ======================= Grid point 71 (25/42) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -0.000 11.859 0.000) 11.859 0.716 ( 0.000 15.640 0.000) 15.640 0.741 ( 0.000 13.438 0.000) 13.438 0.786 ( 0.000 22.586 0.000) 22.586 1.059 ( 0.000 23.733 0.000) 23.733 1.109 ( 0.000 25.867 -0.000) 25.867 1.272 ( -0.000 18.669 0.000) 18.669 1.358 ( 0.000 17.304 0.000) 17.304 1.471 ( -0.000 12.324 -0.000) 12.324 1.501 ( 0.000 3.018 0.000) 3.018 1.604 ( 0.000 1.159 0.000) 1.159 1.672 ( -0.000 1.022 0.000) 1.022 1.680 ( 0.000 8.282 0.000) 8.282 1.685 ( -0.000 12.850 0.000) 12.850 1.794 ( 0.000 8.266 0.000) 8.266 1.822 ( 0.000 11.483 -0.000) 11.483 1.836 ( -0.000 14.456 0.000) 14.456 1.860 ( 0.000 8.462 0.000) 8.462 1.880 ( -0.000 0.400 -0.000) 0.400 1.998 ( 0.000 5.799 0.000) 5.799 2.010 ( -0.000 9.250 0.000) 9.250 2.125 ( 0.000 7.180 0.000) 7.180 2.158 ( -0.000 0.743 0.000) 0.743 2.236 ( 0.000 6.794 0.000) 6.794 2.257 ( 0.000 5.622 0.000) 5.622 2.339 ( 0.000 2.271 0.000) 2.271 2.381 ( 0.000 5.373 0.000) 5.373 2.390 ( -0.000 6.935 0.000) 6.935 2.438 ( 0.000 1.895 0.000) 1.895 2.450 ( -0.000 11.965 0.000) 11.965 2.595 ( 0.000 1.602 0.000) 1.602 2.644 ( 0.000 -0.197 0.000) 0.197 2.774 ( 0.000 3.230 0.000) 3.230 2.919 ( 0.000 2.758 0.000) 2.758 2.943 ( -0.000 -1.018 0.000) 1.018 3.129 ( -0.000 -1.732 0.000) 1.732 3.246 ( 0.000 -1.288 0.000) 1.288 3.360 ( 0.000 0.497 0.000) 0.497 3.810 ( -0.000 -1.702 0.000) 1.702 3.814 ( 0.000 -1.053 0.000) 1.053 3.867 ( -0.000 -4.926 0.000) 4.926 3.891 ( 0.000 -4.831 -0.000) 4.831 4.127 ( 0.000 -5.521 -0.000) 5.521 4.132 ( -0.000 -4.300 0.000) 4.300 4.184 ( -0.000 -1.810 0.000) 1.810 4.265 ( 0.000 -4.990 0.000) 4.990 4.436 ( 0.000 -4.345 0.000) 4.345 4.447 ( 0.000 -5.140 0.000) 5.140 4.582 ( 0.000 -5.477 0.000) 5.477 4.827 ( -0.000 13.961 -0.000) 13.961 4.837 ( 0.000 5.470 0.000) 5.470 4.849 ( 0.000 3.895 0.000) 3.895 5.217 ( 0.000 11.656 0.000) 11.656 5.363 ( 0.000 6.353 0.000) 6.353 5.449 ( 0.000 -0.457 0.000) 0.457 5.449 ( -0.000 2.438 -0.000) 2.438 5.530 ( 0.000 5.342 0.000) 5.342 5.590 ( -0.000 4.978 0.000) 4.978 5.603 ( 0.000 1.517 0.000) 1.517 5.694 ( 0.000 -0.399 0.000) 0.399 5.737 ( -0.000 -0.480 0.000) 0.480 5.779 ( -0.000 -0.208 0.000) 0.208 5.866 ( 0.000 3.982 0.000) 3.982 5.934 ( 0.000 9.104 0.000) 9.104 5.947 ( 0.000 -0.072 0.000) 0.072 6.015 ( -0.000 6.899 0.000) 6.899 6.075 ( 0.000 4.292 0.000) 4.292 6.102 ( 0.000 0.413 0.000) 0.413 6.232 ( 0.000 8.924 0.000) 8.924 6.327 ( -0.000 -0.100 -0.000) 0.100 6.366 ( -0.000 4.834 0.000) 4.834 6.391 ( 0.000 8.527 0.000) 8.527 6.426 ( 0.000 -1.378 0.000) 1.378 6.560 ( 0.000 2.929 0.000) 2.929 6.770 ( 0.000 2.540 0.000) 2.540 6.797 ( -0.000 -3.322 0.000) 3.322 6.828 ( 0.000 -4.485 0.000) 4.485 6.909 ( 0.000 -1.304 0.000) 1.304 6.979 ( -0.000 -3.245 -0.000) 3.245 6.996 ( 0.000 -5.668 0.000) 5.668 7.032 ( -0.000 -1.574 0.000) 1.574 7.136 ( 0.000 0.320 0.000) 0.320 7.145 ( 0.000 0.790 0.000) 0.790 7.184 ( 0.000 2.510 0.000) 2.510 7.317 ( -0.000 -2.823 0.000) 2.823 7.383 ( 0.000 2.531 0.000) 2.531 7.605 ( 0.000 2.176 0.000) 2.176 7.639 ( -0.000 3.892 0.000) 3.892 7.658 ( 0.000 1.765 -0.000) 1.765 7.781 ( 0.000 -1.135 0.000) 1.135 7.852 ( -0.000 -1.430 -0.000) 1.430 7.997 ( 0.000 1.914 0.000) 1.914 8.060 ( 0.000 1.424 0.000) 1.424 8.069 ( -0.000 -0.184 -0.000) 0.184 8.179 ( 0.000 0.189 0.000) 0.189 8.210 ( -0.000 4.454 0.000) 4.454 8.280 ( -0.000 4.848 0.000) 4.848 8.300 ( 0.000 2.241 -0.000) 2.241 8.397 ( 0.000 6.949 0.000) 6.949 8.472 ( -0.000 7.321 0.000) 7.321 8.516 ( 0.000 0.872 0.000) 0.872 8.655 ( 0.000 7.242 0.000) 7.242 8.667 ( -0.000 -1.755 0.000) 1.755 8.701 ( 0.000 3.292 0.000) 3.292 8.818 ( 0.000 4.044 0.000) 4.044 8.846 ( -0.000 -1.946 -0.000) 1.946 9.061 ( -0.000 7.748 0.000) 7.748 9.064 ( 0.000 -5.141 0.000) 5.141 9.153 ( 0.000 -3.845 0.000) 3.845 9.447 ( 0.000 -5.032 0.000) 5.032 9.666 ( 0.000 -0.693 0.000) 0.693 9.722 ( 0.000 -1.936 0.000) 1.936 9.944 ( 0.000 -3.118 0.000) 3.118 9.998 ( 0.000 -2.232 0.000) 2.232 10.027 ( -0.000 -1.771 -0.000) 1.771 10.118 ( 0.000 -1.481 0.000) 1.481 10.128 ( -0.000 -2.775 0.000) 2.775 10.242 ( 0.000 -2.711 0.000) 2.711 10.487 ( 0.000 -2.959 0.000) 2.959 10.607 ( 0.000 -10.895 0.000) 10.895 ======================= Grid point 73 (26/42) ======================= q-point: ( 0.20 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 6.961 9.146 -6.167) 13.044 0.794 ( 8.162 15.203 7.901) 18.978 0.814 ( 10.417 16.151 -3.823) 19.595 0.922 ( 10.930 13.249 5.415) 18.009 1.090 ( 1.770 21.068 -0.033) 21.143 1.247 ( 5.180 17.099 0.049) 17.866 1.319 ( 5.556 16.711 -0.345) 17.613 1.434 ( -7.137 5.059 -1.974) 8.968 1.469 ( 6.459 10.870 -5.857) 13.935 1.498 ( 2.494 9.500 1.476) 9.933 1.560 ( -0.122 4.902 1.547) 5.142 1.576 ( -5.405 10.335 -0.345) 11.668 1.671 ( 2.850 9.568 3.540) 10.593 1.727 ( -0.376 10.685 -2.803) 11.053 1.776 ( 0.879 7.156 -2.676) 7.691 1.794 ( -3.066 4.326 -0.011) 5.303 1.818 ( -2.125 12.752 0.397) 12.934 1.852 ( 1.176 7.315 1.324) 7.527 1.899 ( 1.715 7.482 1.740) 7.871 1.948 ( -5.800 6.497 0.751) 8.741 1.962 ( -4.172 6.330 -0.940) 7.639 2.037 ( -2.998 8.151 1.645) 8.839 2.187 ( -1.086 6.044 -0.688) 6.180 2.202 ( -0.558 7.019 0.483) 7.058 2.245 ( -3.005 6.188 1.979) 7.159 2.301 ( -4.293 1.914 -0.568) 4.735 2.372 ( -5.195 1.832 -2.546) 6.068 2.385 ( 2.150 6.325 -0.978) 6.751 2.468 ( 0.340 9.106 -1.114) 9.180 2.500 ( -2.693 5.640 1.935) 6.543 2.583 ( 1.068 2.965 -2.677) 4.135 2.640 ( 4.441 3.677 4.070) 7.057 2.739 ( -2.167 0.982 0.199) 2.387 2.820 ( -1.585 2.344 -0.696) 2.914 2.895 ( -5.127 1.120 -0.178) 5.251 3.142 ( 7.550 1.161 -2.508) 8.040 3.419 ( 4.696 -1.456 1.809) 5.239 3.533 ( -7.313 0.720 0.393) 7.359 3.587 ( 0.901 -2.645 1.256) 3.064 3.669 ( -12.114 0.063 0.651) 12.132 3.821 ( 0.218 -4.981 1.102) 5.107 3.861 ( -3.756 -4.400 -4.690) 7.447 4.031 ( -1.761 -2.935 0.837) 3.524 4.213 ( 0.396 -6.797 -0.938) 6.873 4.249 ( 2.813 -3.385 4.465) 6.270 4.342 ( 3.681 -6.200 -1.203) 7.310 4.439 ( 1.696 -4.086 -0.911) 4.517 4.495 ( 3.941 -4.470 -0.269) 5.965 4.576 ( -0.269 -5.475 -1.238) 5.620 4.821 ( 1.181 10.637 0.113) 10.703 4.850 ( 0.765 14.533 -0.004) 14.554 4.903 ( 4.088 -0.553 0.745) 4.192 5.205 ( -0.841 11.871 -0.238) 11.903 5.343 ( -2.800 10.198 1.303) 10.656 5.426 ( -0.490 -0.383 0.438) 0.761 5.455 ( -1.759 1.680 -1.661) 2.946 5.534 ( -0.392 6.767 1.732) 6.996 5.587 ( -1.012 6.747 -0.419) 6.835 5.615 ( 3.623 0.687 0.593) 3.735 5.671 ( 2.593 0.179 -1.560) 3.032 5.755 ( 0.299 -1.598 -0.745) 1.788 5.792 ( 0.424 -1.194 0.299) 1.302 5.898 ( 2.397 0.070 -0.743) 2.511 5.904 ( -1.767 7.357 -0.309) 7.573 5.967 ( 1.043 0.807 -0.263) 1.345 6.006 ( -0.500 3.916 -0.583) 3.991 6.069 ( -0.558 4.638 0.062) 4.672 6.116 ( 0.361 0.641 -0.294) 0.792 6.192 ( -2.074 6.933 -0.732) 7.273 6.311 ( 1.433 0.193 -0.872) 1.689 6.343 ( -6.884 2.472 0.060) 7.315 6.375 ( 1.071 4.095 0.281) 4.242 6.490 ( 3.364 2.643 4.887) 6.495 6.554 ( 1.130 0.657 -0.433) 1.377 6.691 ( -5.292 -1.847 -0.293) 5.612 6.731 ( -9.542 1.074 1.287) 9.688 6.774 ( -7.655 1.651 -3.279) 8.490 6.885 ( -1.350 -1.262 -1.811) 2.588 6.940 ( 0.178 -1.958 1.368) 2.396 7.021 ( 3.723 -2.242 -1.050) 4.470 7.079 ( 2.073 -1.509 0.845) 2.700 7.139 ( -1.513 1.806 -3.122) 3.911 7.152 ( 1.009 2.501 -0.303) 2.714 7.215 ( 4.674 -1.268 4.831) 6.841 7.265 ( -1.026 -1.009 -1.704) 2.231 7.456 ( -0.846 0.201 -1.812) 2.010 7.495 ( -3.900 2.165 0.290) 4.470 7.639 ( -0.748 3.050 1.610) 3.529 7.643 ( 0.113 1.626 -1.598) 2.283 7.806 ( 2.120 -1.295 -1.417) 2.860 7.848 ( -1.020 -0.259 1.907) 2.178 7.986 ( -3.696 2.850 -1.939) 5.054 8.064 ( 3.042 2.105 -0.062) 3.700 8.075 ( -2.885 -0.628 0.688) 3.032 8.193 ( 1.476 1.433 -0.410) 2.098 8.237 ( 1.746 0.934 0.963) 2.202 8.253 ( 1.276 7.475 1.073) 7.658 8.331 ( 1.587 3.985 -0.556) 4.325 8.396 ( -1.616 8.648 0.278) 8.802 8.463 ( -2.599 3.172 1.849) 4.498 8.510 ( 3.312 3.943 -2.001) 5.524 8.623 ( 0.292 2.776 0.490) 2.834 8.655 ( -0.031 7.214 -0.019) 7.214 8.757 ( 0.612 -2.522 -0.464) 2.636 8.785 ( -3.472 7.074 -1.449) 8.012 8.883 ( 3.127 -2.060 2.584) 4.550 9.007 ( -2.743 -2.039 2.353) 4.149 9.048 ( -0.258 -0.374 -3.066) 3.099 9.149 ( -1.490 -4.175 1.151) 4.579 9.337 ( -7.180 -1.921 0.728) 7.468 9.673 ( 0.691 -0.520 0.681) 1.101 9.811 ( 3.904 -3.921 -1.035) 5.629 9.929 ( 1.946 -2.207 0.948) 3.091 9.986 ( -1.108 -1.343 0.383) 1.782 10.100 ( 3.660 -3.269 -0.327) 4.918 10.126 ( 2.165 -3.182 -1.673) 4.197 10.213 ( 3.473 -4.119 0.568) 5.417 10.241 ( 1.546 -3.485 -1.168) 3.987 10.488 ( 0.084 -3.040 -0.110) 3.044 10.570 ( -3.180 -8.259 0.862) 8.892 ======================= Grid point 74 (27/42) ======================= q-point: ( 0.40 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 12.652 4.408 -0.130) 13.398 0.957 ( 2.221 10.620 1.024) 10.898 1.052 ( 13.509 15.113 -3.949) 20.651 1.114 ( 1.813 10.746 0.333) 10.903 1.128 ( 6.940 9.231 6.226) 13.120 1.197 ( -6.013 11.969 0.756) 13.416 1.270 ( 1.941 14.556 -4.652) 15.404 1.367 ( -12.184 12.396 1.619) 17.457 1.387 ( -6.877 7.411 -1.987) 10.304 1.465 ( -3.742 10.628 0.349) 11.272 1.556 ( 5.718 4.749 -2.635) 7.886 1.613 ( -1.729 11.568 -0.642) 11.714 1.684 ( -4.303 2.491 6.306) 8.030 1.725 ( -1.648 5.948 -2.533) 6.672 1.787 ( 0.305 7.606 -1.153) 7.699 1.829 ( 9.222 6.366 -1.755) 11.342 1.840 ( -1.726 11.960 0.845) 12.113 1.890 ( 0.249 4.227 0.890) 4.327 1.895 ( 1.820 8.362 -0.453) 8.570 1.933 ( 6.914 8.639 2.522) 11.349 1.973 ( -3.968 5.016 4.031) 7.560 2.039 ( 4.962 8.682 -2.296) 10.261 2.156 ( -2.941 5.911 0.298) 6.609 2.170 ( -3.232 6.528 1.246) 7.390 2.189 ( -5.940 3.747 1.352) 7.152 2.213 ( -1.306 6.063 -4.314) 7.555 2.317 ( 10.569 10.142 -2.738) 14.901 2.343 ( -3.017 5.278 0.018) 6.080 2.446 ( 1.233 8.172 -0.265) 8.269 2.525 ( 3.204 11.393 -1.098) 11.886 2.606 ( -3.247 3.543 -1.052) 4.920 2.652 ( -6.046 4.502 -1.387) 7.664 2.718 ( 0.180 3.494 7.382) 8.169 2.824 ( 0.886 4.952 1.016) 5.132 2.930 ( 0.753 0.299 0.557) 0.983 3.105 ( -9.068 1.854 -4.944) 10.493 3.255 ( -0.226 1.922 -3.850) 4.309 3.385 ( -10.359 0.536 2.593) 10.692 3.555 ( 4.423 -1.207 7.268) 8.593 3.712 ( -8.523 -2.126 -5.095) 10.155 3.826 ( 10.182 -3.953 1.978) 11.100 3.925 ( 4.095 -5.778 -1.399) 7.219 4.051 ( 3.196 -4.694 0.208) 5.683 4.126 ( -5.321 -6.355 -2.208) 8.577 4.279 ( -2.487 -5.814 2.041) 6.645 4.378 ( 1.298 -4.008 1.659) 4.528 4.457 ( 0.666 -4.438 -0.932) 4.583 4.562 ( 1.549 -4.048 -0.802) 4.408 4.575 ( 0.918 -6.236 -0.553) 6.328 4.849 ( 1.078 14.911 0.203) 14.951 4.863 ( 0.452 16.010 -0.185) 16.017 4.972 ( 2.390 -4.258 0.313) 4.893 5.200 ( 0.388 12.575 0.034) 12.581 5.276 ( -3.132 11.400 0.522) 11.834 5.418 ( -0.351 0.453 -0.278) 0.637 5.438 ( 0.095 0.088 -0.568) 0.583 5.531 ( -0.018 6.285 0.253) 6.291 5.572 ( -0.604 6.596 0.020) 6.624 5.710 ( 4.658 -0.897 -0.384) 4.759 5.738 ( 1.697 -0.681 -0.340) 1.860 5.763 ( 1.316 -2.380 0.077) 2.721 5.809 ( 2.776 -0.647 0.581) 2.909 5.877 ( -0.911 4.367 -0.621) 4.504 5.922 ( -0.668 -0.395 0.495) 0.920 5.950 ( -2.618 3.644 -0.481) 4.512 6.015 ( 1.018 -2.754 -0.516) 2.981 6.040 ( -2.160 4.722 0.151) 5.195 6.110 ( -0.156 1.393 0.388) 1.454 6.190 ( 1.304 2.328 -0.766) 2.776 6.233 ( -3.732 1.967 0.429) 4.241 6.346 ( 2.993 1.089 -1.103) 3.371 6.421 ( 2.273 3.191 -0.486) 3.947 6.439 ( -7.764 0.052 0.430) 7.776 6.504 ( -4.002 4.264 2.467) 6.347 6.631 ( 1.852 -0.374 -1.370) 2.334 6.667 ( 0.990 1.070 4.157) 4.405 6.715 ( -2.037 4.339 -3.080) 5.698 6.861 ( -0.677 0.546 -2.239) 2.402 6.934 ( -0.815 -1.916 1.592) 2.621 7.032 ( -1.055 -0.956 -0.739) 1.604 7.099 ( 0.403 1.939 2.005) 2.818 7.109 ( -0.544 2.954 -3.212) 4.398 7.194 ( 2.605 1.447 0.841) 3.096 7.236 ( -1.870 -1.595 -0.887) 2.613 7.298 ( 0.513 -0.491 4.227) 4.286 7.351 ( -2.186 0.343 -2.647) 3.450 7.526 ( 1.342 0.845 -0.455) 1.650 7.632 ( 0.442 3.425 -0.740) 3.532 7.649 ( -0.037 0.412 0.841) 0.937 7.805 ( -0.443 -1.245 -1.199) 1.784 7.850 ( -0.665 0.145 -0.321) 0.753 7.938 ( -0.249 1.383 4.019) 4.258 8.011 ( -2.391 1.386 -2.939) 4.034 8.112 ( 1.249 1.700 0.290) 2.129 8.237 ( 1.788 1.786 0.401) 2.559 8.246 ( 1.429 2.468 -0.340) 2.872 8.301 ( 2.435 9.421 0.311) 9.735 8.321 ( -2.962 3.862 -0.010) 4.867 8.348 ( -2.050 8.186 1.529) 8.577 8.487 ( 2.269 3.376 -0.706) 4.129 8.582 ( 4.294 1.952 -1.364) 4.910 8.645 ( 0.859 4.111 1.880) 4.601 8.656 ( 0.368 8.552 -0.198) 8.563 8.710 ( -3.317 3.621 -0.561) 4.943 8.728 ( -2.677 -4.535 -0.253) 5.273 8.953 ( 3.426 -2.822 2.260) 4.980 8.994 ( -0.323 -3.805 -0.333) 3.833 9.052 ( 1.209 -2.247 -4.088) 4.819 9.096 ( -3.849 -3.082 2.729) 5.636 9.240 ( -2.737 -0.653 -0.416) 2.845 9.689 ( 0.627 -0.293 0.288) 0.750 9.849 ( 1.117 -3.387 -0.057) 3.567 9.927 ( -1.529 -1.190 -0.961) 2.163 10.007 ( 1.738 -2.409 1.651) 3.399 10.153 ( 1.600 -3.253 -2.102) 4.190 10.158 ( 0.891 -3.643 0.785) 3.831 10.229 ( 1.106 -4.293 2.072) 4.894 10.274 ( 0.003 -4.481 -2.022) 4.916 10.490 ( 0.103 -3.106 -0.110) 3.110 10.525 ( -1.424 -5.671 0.548) 5.872 ======================= Grid point 77 (28/42) ======================= q-point: ( 0.00 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 0.000 17.741 0.000) 17.741 1.020 ( 0.000 15.244 0.000) 15.244 1.045 ( 0.000 17.495 -0.000) 17.495 1.154 ( 0.000 15.978 0.000) 15.978 1.417 ( 0.000 11.842 0.000) 11.842 1.574 ( 0.000 9.688 0.000) 9.688 1.636 ( 0.000 6.856 0.000) 6.856 1.664 ( -0.000 7.543 0.000) 7.543 1.681 ( 0.000 13.272 0.000) 13.272 1.711 ( -0.000 11.512 -0.000) 11.512 1.746 ( 0.000 18.879 0.000) 18.879 1.848 ( 0.000 10.596 0.000) 10.596 1.870 ( -0.000 1.775 -0.000) 1.775 1.888 ( 0.000 25.564 0.000) 25.564 1.995 ( -0.000 7.411 0.000) 7.411 2.013 ( 0.000 10.661 -0.000) 10.661 2.037 ( 0.000 14.901 0.000) 14.901 2.084 ( -0.000 14.156 0.000) 14.156 2.114 ( 0.000 4.901 0.000) 4.901 2.198 ( 0.000 14.243 0.000) 14.243 2.207 ( 0.000 13.460 0.000) 13.460 2.264 ( -0.000 9.130 0.000) 9.130 2.290 ( -0.000 7.961 0.000) 7.961 2.355 ( 0.000 4.556 0.000) 4.556 2.400 ( 0.000 7.395 -0.000) 7.395 2.411 ( 0.000 10.014 0.000) 10.014 2.472 ( 0.000 3.925 0.000) 3.925 2.550 ( 0.000 7.482 0.000) 7.482 2.582 ( -0.000 13.333 0.000) 13.333 2.652 ( 0.000 1.453 0.000) 1.453 2.726 ( -0.000 9.901 0.000) 9.901 2.772 ( 0.000 16.989 0.000) 16.989 2.867 ( 0.000 2.626 0.000) 2.626 2.967 ( 0.000 7.875 0.000) 7.875 3.047 ( -0.000 1.762 0.000) 1.762 3.097 ( -0.000 8.225 0.000) 8.225 3.246 ( 0.000 2.890 0.000) 2.890 3.394 ( 0.000 3.241 0.000) 3.241 3.691 ( 0.000 -8.631 0.000) 8.631 3.752 ( 0.000 -5.451 0.000) 5.451 3.785 ( 0.000 -4.526 0.000) 4.526 3.836 ( 0.000 -1.102 0.000) 1.102 3.998 ( -0.000 -6.165 0.000) 6.165 4.025 ( 0.000 -6.073 0.000) 6.073 4.151 ( 0.000 -5.062 0.000) 5.062 4.172 ( 0.000 1.016 -0.000) 1.016 4.341 ( 0.000 -4.551 0.000) 4.551 4.377 ( 0.000 -2.035 0.000) 2.035 4.460 ( 0.000 -5.987 0.000) 5.987 4.723 ( 0.000 -7.279 0.000) 7.279 5.128 ( 0.000 14.992 -0.000) 14.992 5.145 ( 0.000 14.424 0.000) 14.424 5.399 ( 0.000 4.382 0.000) 4.382 5.403 ( 0.000 0.700 0.000) 0.700 5.463 ( 0.000 3.845 0.000) 3.845 5.521 ( 0.000 3.189 0.000) 3.189 5.605 ( 0.000 1.965 0.000) 1.965 5.642 ( -0.000 3.685 0.000) 3.685 5.653 ( 0.000 1.952 -0.000) 1.952 5.709 ( -0.000 2.789 0.000) 2.789 5.800 ( -0.000 2.726 0.000) 2.726 5.805 ( 0.000 5.169 0.000) 5.169 5.914 ( -0.000 -2.086 0.000) 2.086 5.967 ( 0.000 3.939 0.000) 3.939 6.042 ( 0.000 2.305 0.000) 2.305 6.053 ( -0.000 -0.958 0.000) 0.958 6.155 ( 0.000 3.639 0.000) 3.639 6.177 ( 0.000 3.076 0.000) 3.076 6.330 ( -0.000 1.076 0.000) 1.076 6.400 ( 0.000 7.294 0.000) 7.294 6.427 ( 0.000 3.069 0.000) 3.069 6.492 ( 0.000 7.104 0.000) 7.104 6.540 ( 0.000 2.374 0.000) 2.374 6.636 ( 0.000 6.620 0.000) 6.620 6.661 ( 0.000 -7.447 0.000) 7.447 6.762 ( 0.000 -1.825 0.000) 1.825 6.816 ( -0.000 0.684 0.000) 0.684 6.872 ( -0.000 -2.413 0.000) 2.413 6.917 ( 0.000 -2.011 -0.000) 2.011 6.961 ( 0.000 2.997 0.000) 2.997 7.049 ( 0.000 2.522 0.000) 2.522 7.146 ( -0.000 1.224 0.000) 1.224 7.175 ( 0.000 2.839 -0.000) 2.839 7.240 ( 0.000 3.687 0.000) 3.687 7.379 ( 0.000 4.776 0.000) 4.776 7.427 ( 0.000 2.207 0.000) 2.207 7.636 ( 0.000 -0.288 0.000) 0.288 7.740 ( -0.000 7.585 0.000) 7.585 7.746 ( 0.000 5.121 -0.000) 5.121 7.772 ( 0.000 0.856 0.000) 0.856 7.814 ( -0.000 -1.231 -0.000) 1.231 8.022 ( 0.000 1.171 -0.000) 1.171 8.110 ( 0.000 2.825 0.000) 2.825 8.127 ( 0.000 1.660 0.000) 1.660 8.175 ( 0.000 1.961 0.000) 1.961 8.225 ( -0.000 -0.340 0.000) 0.340 8.382 ( 0.000 4.646 0.000) 4.646 8.411 ( 0.000 4.968 0.000) 4.968 8.507 ( 0.000 0.527 0.000) 0.527 8.596 ( 0.000 8.481 0.000) 8.481 8.618 ( 0.000 8.402 0.000) 8.402 8.639 ( 0.000 0.317 0.000) 0.317 8.732 ( 0.000 -1.028 0.000) 1.028 8.801 ( 0.000 -1.442 0.000) 1.442 8.821 ( -0.000 -0.211 0.000) 0.211 8.825 ( 0.000 4.456 -0.000) 4.456 9.006 ( 0.000 4.057 -0.000) 4.057 9.045 ( 0.000 -6.223 0.000) 6.223 9.204 ( -0.000 4.636 0.000) 4.636 9.383 ( 0.000 -0.121 0.000) 0.121 9.657 ( 0.000 -0.010 0.000) 0.010 9.664 ( 0.000 -3.847 0.000) 3.847 9.865 ( 0.000 -4.577 0.000) 4.577 9.959 ( 0.000 -1.672 0.000) 1.672 9.983 ( -0.000 -2.473 0.000) 2.473 10.057 ( 0.000 -4.046 0.000) 4.046 10.080 ( 0.000 -2.149 0.000) 2.149 10.171 ( 0.000 -4.232 0.000) 4.232 10.410 ( 0.000 -4.573 0.000) 4.573 10.419 ( -0.000 -7.874 0.000) 7.874 ======================= Grid point 79 (29/42) ======================= q-point: ( 0.20 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 3.645 17.030 -4.997) 18.118 1.074 ( 5.359 13.142 5.864) 15.356 1.110 ( 7.036 15.219 0.781) 16.784 1.194 ( 4.235 13.699 -1.561) 14.424 1.407 ( -2.924 10.792 -0.399) 11.188 1.503 ( -7.492 4.934 2.156) 9.226 1.588 ( 1.769 8.410 -0.219) 8.596 1.630 ( -3.481 13.088 -1.563) 13.633 1.690 ( -1.176 9.843 -4.708) 10.974 1.730 ( 0.421 12.003 3.011) 12.382 1.774 ( -2.466 10.108 0.954) 10.448 1.831 ( -1.613 5.576 -1.519) 6.000 1.860 ( -5.978 13.339 2.388) 14.811 1.879 ( 4.009 10.336 0.194) 11.088 1.943 ( -2.527 8.603 -0.199) 8.968 2.014 ( -0.719 15.712 -3.295) 16.070 2.043 ( -3.263 7.178 0.806) 7.926 2.082 ( -0.434 12.950 6.010) 14.284 2.101 ( 1.514 13.224 0.541) 13.321 2.168 ( -0.954 17.012 1.102) 17.074 2.230 ( 0.069 12.008 -1.517) 12.104 2.250 ( 0.695 14.075 -0.377) 14.097 2.305 ( 3.476 5.049 -4.921) 7.860 2.343 ( 0.213 6.757 -1.870) 7.014 2.358 ( -4.827 5.976 -0.146) 7.684 2.389 ( -2.819 9.053 -1.041) 9.538 2.447 ( -2.866 8.578 2.633) 9.419 2.555 ( 1.150 7.339 0.394) 7.439 2.593 ( 0.586 4.008 -3.730) 5.506 2.674 ( 0.856 11.546 4.897) 12.570 2.757 ( 3.837 10.784 -2.175) 11.651 2.793 ( 1.322 10.442 3.850) 11.207 2.856 ( -0.852 11.448 -2.349) 11.717 2.898 ( -0.979 7.165 0.981) 7.298 2.990 ( 0.313 9.006 0.765) 9.043 3.222 ( 7.536 8.308 -2.729) 11.544 3.384 ( 6.016 -1.846 0.480) 6.311 3.495 ( 8.756 -2.679 3.102) 9.668 3.602 ( -15.099 1.855 0.326) 15.216 3.683 ( -7.110 1.362 -0.690) 7.272 3.701 ( -2.126 -4.912 -0.067) 5.352 3.758 ( -0.383 -5.111 -2.223) 5.586 3.981 ( -2.766 -2.481 0.602) 3.764 4.024 ( -1.426 -11.080 -1.125) 11.227 4.156 ( 0.084 -6.406 2.007) 6.714 4.229 ( 3.987 -3.087 0.554) 5.073 4.362 ( 1.174 -3.779 -1.616) 4.275 4.396 ( 1.874 -4.747 0.691) 5.151 4.459 ( 0.357 -5.458 -0.726) 5.517 4.763 ( 3.912 -7.065 0.243) 8.079 5.141 ( 1.124 14.121 0.457) 14.173 5.160 ( 1.553 14.351 -0.353) 14.439 5.409 ( 0.868 4.962 1.407) 5.230 5.415 ( 1.073 1.282 -0.466) 1.736 5.454 ( -0.102 5.259 -1.352) 5.431 5.534 ( 0.422 3.751 0.407) 3.796 5.625 ( 2.020 2.000 1.146) 3.065 5.650 ( 0.650 3.530 0.801) 3.678 5.687 ( 3.597 0.587 -2.729) 4.553 5.727 ( 1.734 5.724 0.881) 6.046 5.777 ( -1.645 5.453 -0.558) 5.723 5.794 ( -0.769 1.535 -0.042) 1.717 5.918 ( 0.472 -2.937 0.590) 3.032 5.956 ( -1.456 4.616 -0.597) 4.877 6.001 ( -3.505 1.619 -0.197) 3.866 6.058 ( -0.923 -0.496 0.702) 1.261 6.141 ( -2.214 2.660 -0.808) 3.554 6.158 ( -0.629 3.010 0.395) 3.100 6.323 ( -1.108 4.429 0.665) 4.614 6.373 ( -2.473 7.264 -0.819) 7.717 6.410 ( -5.560 0.630 -2.348) 6.068 6.462 ( -0.840 5.554 1.647) 5.854 6.510 ( -1.414 -0.280 4.118) 4.363 6.542 ( -0.034 1.887 -1.742) 2.568 6.702 ( -0.211 2.638 -0.206) 2.654 6.784 ( 0.297 3.568 -2.354) 4.285 6.860 ( 1.812 2.053 -0.420) 2.771 6.888 ( -5.350 3.178 1.174) 6.333 6.945 ( -1.445 1.693 -0.509) 2.284 6.969 ( 6.676 -2.571 0.366) 7.163 7.028 ( 5.936 -1.769 -0.802) 6.246 7.125 ( -2.424 -0.364 2.704) 3.649 7.174 ( -1.507 1.414 -2.294) 3.087 7.243 ( 0.404 2.488 0.619) 2.596 7.316 ( -2.864 4.426 -0.009) 5.272 7.476 ( -0.515 1.746 -1.557) 2.395 7.559 ( -3.665 2.137 0.643) 4.291 7.723 ( -1.870 4.569 1.161) 5.072 7.730 ( -0.821 6.519 0.183) 6.573 7.797 ( 2.483 1.419 -0.667) 2.937 7.829 ( -0.186 -0.257 -0.057) 0.322 8.023 ( -0.919 -1.475 1.722) 2.446 8.074 ( -2.649 4.230 -2.232) 5.468 8.136 ( 0.773 0.646 -0.253) 1.039 8.193 ( 1.356 0.451 -0.741) 1.610 8.246 ( 1.991 1.355 2.620) 3.559 8.386 ( 0.855 3.908 0.124) 4.003 8.418 ( 0.919 4.880 0.024) 4.966 8.523 ( 1.357 1.405 -1.633) 2.546 8.596 ( -0.332 4.494 -1.338) 4.700 8.615 ( -0.255 7.482 2.617) 7.930 8.646 ( 0.824 3.810 1.857) 4.318 8.704 ( -3.068 -0.061 -1.720) 3.518 8.795 ( 0.696 1.286 -0.037) 1.463 8.841 ( 2.258 -0.505 0.572) 2.383 8.866 ( 3.111 1.240 -1.738) 3.773 8.981 ( -1.918 4.288 -1.896) 5.066 9.041 ( -1.013 -4.475 3.021) 5.493 9.158 ( -5.129 7.699 -1.327) 9.345 9.309 ( -5.300 -0.133 1.258) 5.449 9.665 ( 0.790 -0.297 1.315) 1.563 9.715 ( 3.415 -5.361 -1.490) 6.529 9.868 ( 1.498 -3.851 0.150) 4.135 9.957 ( -0.894 -1.395 0.196) 1.668 10.022 ( 2.835 -4.045 -0.075) 4.940 10.054 ( 0.995 -3.832 -0.932) 4.067 10.125 ( 2.443 -4.339 0.926) 5.065 10.163 ( -0.326 -4.249 -0.449) 4.285 10.403 ( -0.534 -5.960 -0.156) 5.986 10.417 ( -0.277 -5.894 0.224) 5.905 ======================= Grid point 80 (30/42) ======================= q-point: ( 0.40 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 7.521 13.156 -0.713) 15.171 1.139 ( -4.484 10.213 -2.430) 11.415 1.271 ( 5.131 8.748 3.580) 10.756 1.297 ( 7.252 9.813 -0.516) 12.213 1.334 ( 5.225 9.700 -0.386) 11.024 1.462 ( -0.602 8.753 6.959) 11.198 1.537 ( -5.010 12.047 -5.314) 14.088 1.563 ( -11.703 7.754 -1.812) 14.156 1.649 ( 3.075 4.319 -1.691) 5.565 1.691 ( -2.410 15.438 -0.732) 15.642 1.730 ( -1.492 10.816 2.547) 11.211 1.749 ( -2.714 7.803 1.181) 8.346 1.835 ( 0.509 7.577 -0.753) 7.631 1.879 ( -4.379 7.493 -1.346) 8.782 1.917 ( -1.070 9.790 -0.291) 9.852 1.954 ( 0.588 8.214 0.243) 8.239 2.024 ( -1.894 7.201 1.030) 7.516 2.075 ( -1.828 9.286 2.353) 9.753 2.113 ( 0.512 9.192 -0.777) 9.238 2.203 ( -1.759 11.161 1.054) 11.348 2.209 ( -2.293 11.865 -0.987) 12.125 2.232 ( 5.586 17.491 0.701) 18.375 2.266 ( -2.296 6.128 -1.201) 6.653 2.324 ( -0.629 7.500 -1.277) 7.634 2.332 ( -1.103 12.608 0.501) 12.666 2.377 ( -3.824 10.089 2.258) 11.024 2.532 ( 11.681 13.317 -3.133) 17.990 2.590 ( 4.069 11.412 -0.181) 12.117 2.637 ( 0.994 5.281 -2.332) 5.858 2.662 ( -1.339 12.896 0.003) 12.965 2.787 ( 0.316 12.702 0.301) 12.710 2.835 ( -1.573 11.993 1.633) 12.206 2.874 ( 3.686 5.287 1.966) 6.738 2.922 ( 5.449 13.274 0.807) 14.371 3.066 ( 3.297 10.790 -0.125) 11.283 3.196 ( -13.601 8.854 -1.487) 16.297 3.339 ( -0.713 6.571 -2.091) 6.932 3.425 ( -7.611 4.096 0.925) 8.693 3.539 ( 4.025 -0.054 4.449) 5.999 3.663 ( -3.468 -1.774 -3.152) 5.011 3.730 ( 5.100 -5.856 0.283) 7.771 3.798 ( 5.931 -5.653 -0.065) 8.194 3.940 ( -1.845 -6.696 0.228) 6.949 3.954 ( -4.474 -9.485 -1.175) 10.553 4.134 ( -2.126 -7.349 0.654) 7.679 4.290 ( 1.881 -4.657 1.766) 5.324 4.373 ( 0.587 -3.310 -1.323) 3.612 4.421 ( 0.545 -8.274 -0.065) 8.292 4.473 ( 0.793 -4.523 -0.344) 4.605 4.832 ( 2.516 -7.848 0.106) 8.242 5.161 ( 0.701 13.183 0.198) 13.203 5.185 ( 0.822 13.639 -0.176) 13.665 5.428 ( 0.487 2.256 -0.540) 2.370 5.440 ( 1.779 3.513 1.922) 4.382 5.463 ( 1.249 9.086 -0.889) 9.215 5.512 ( -2.658 8.774 -0.605) 9.188 5.657 ( 1.059 4.063 1.465) 4.447 5.697 ( 2.634 0.497 -0.185) 2.686 5.722 ( 0.525 -0.131 -0.970) 1.111 5.742 ( -0.182 7.410 0.037) 7.413 5.779 ( 1.975 5.815 -0.449) 6.157 5.813 ( 2.220 1.629 -0.210) 2.761 5.896 ( -3.615 -0.889 -0.984) 3.850 5.936 ( 0.390 -3.213 0.763) 3.326 5.948 ( -0.529 2.607 0.923) 2.816 6.004 ( -4.670 0.961 -0.505) 4.794 6.111 ( -0.603 2.578 -0.652) 2.727 6.142 ( -0.945 2.124 0.703) 2.429 6.262 ( -3.223 4.096 -0.397) 5.227 6.330 ( -1.653 5.290 -0.189) 5.545 6.369 ( 1.452 3.011 -0.206) 3.350 6.437 ( -2.436 1.773 1.159) 3.228 6.529 ( 1.393 4.055 1.923) 4.699 6.548 ( 0.195 2.024 -1.562) 2.564 6.679 ( -1.886 7.096 -0.269) 7.347 6.781 ( 3.039 6.529 -0.864) 7.254 6.848 ( -1.813 6.701 0.351) 6.950 6.871 ( -0.414 0.564 0.094) 0.706 6.919 ( -0.409 0.858 -0.352) 1.013 7.025 ( -1.704 0.923 0.210) 1.949 7.088 ( 2.635 -3.137 -0.140) 4.099 7.129 ( -1.692 0.581 -1.879) 2.594 7.168 ( 3.071 -4.325 0.763) 5.360 7.238 ( -0.699 1.707 0.904) 2.054 7.315 ( 2.206 2.942 3.044) 4.774 7.392 ( -4.421 3.082 -3.599) 6.480 7.556 ( 0.491 1.180 0.469) 1.361 7.700 ( -0.669 4.559 0.221) 4.613 7.718 ( -0.389 4.469 0.390) 4.503 7.804 ( -0.908 1.638 -1.257) 2.256 7.834 ( 0.428 0.818 1.364) 1.647 8.000 ( -1.053 -1.818 -0.587) 2.182 8.026 ( -1.354 5.357 -0.345) 5.536 8.158 ( 0.526 -0.820 1.112) 1.478 8.225 ( 1.908 -1.906 -0.490) 2.741 8.263 ( 0.122 4.064 0.697) 4.125 8.429 ( 1.974 3.457 -2.408) 4.652 8.435 ( 0.682 2.827 2.049) 3.557 8.539 ( 0.716 9.468 -1.133) 9.562 8.575 ( -1.442 -2.586 2.240) 3.712 8.601 ( -0.781 -0.207 -2.043) 2.197 8.662 ( -1.134 -0.489 1.417) 1.880 8.669 ( 0.891 9.070 0.341) 9.120 8.830 ( 2.861 4.115 -0.930) 5.098 8.870 ( 0.125 2.372 -1.714) 2.929 8.917 ( 1.896 2.241 0.444) 2.969 8.935 ( -2.121 1.414 0.569) 2.612 9.022 ( -1.130 -0.518 1.952) 2.314 9.066 ( -2.996 5.410 -1.291) 6.317 9.237 ( -2.250 0.591 -0.070) 2.327 9.684 ( 0.706 -0.366 0.687) 1.051 9.754 ( 1.152 -5.666 -0.616) 5.814 9.892 ( -0.038 -2.520 -0.664) 2.606 9.949 ( 0.592 -2.899 1.075) 3.148 10.071 ( 1.773 -4.584 -1.442) 5.123 10.075 ( 1.255 -4.234 0.621) 4.459 10.127 ( -1.026 -5.244 0.721) 5.392 10.175 ( 0.529 -5.074 -0.347) 5.113 10.395 ( -0.235 -6.406 -0.030) 6.410 10.412 ( -0.191 -4.701 0.071) 4.705 ======================= Grid point 83 (31/42) ======================= q-point: ( 0.00 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 0.000 16.453 0.000) 16.453 1.323 ( 0.000 14.493 0.000) 14.493 1.379 ( -0.000 15.264 0.000) 15.264 1.462 ( 0.000 14.513 0.000) 14.513 1.610 ( 0.000 8.576 0.000) 8.576 1.713 ( -0.000 8.068 0.000) 8.068 1.725 ( -0.000 2.953 0.000) 2.953 1.788 ( 0.000 7.244 0.000) 7.244 1.883 ( -0.000 3.010 -0.000) 3.010 1.924 ( -0.000 6.927 0.000) 6.927 1.959 ( -0.000 9.401 0.000) 9.401 1.963 ( 0.000 3.819 -0.000) 3.819 2.005 ( 0.000 4.021 0.000) 4.021 2.079 ( -0.000 3.740 0.000) 3.740 2.156 ( 0.000 5.521 0.000) 5.521 2.209 ( 0.000 10.509 -0.000) 10.509 2.211 ( -0.000 4.843 0.000) 4.843 2.292 ( -0.000 0.559 0.000) 0.559 2.350 ( -0.000 5.657 0.000) 5.657 2.362 ( 0.000 8.208 -0.000) 8.208 2.423 ( -0.000 3.656 0.000) 3.656 2.427 ( 0.000 8.310 0.000) 8.310 2.533 ( 0.000 7.347 0.000) 7.347 2.542 ( 0.000 19.603 -0.000) 19.603 2.545 ( -0.000 4.817 0.000) 4.817 2.605 ( 0.000 8.398 0.000) 8.398 2.620 ( 0.000 11.450 0.000) 11.450 2.677 ( -0.000 1.993 0.000) 1.993 2.812 ( -0.000 14.268 0.000) 14.268 2.833 ( 0.000 -2.217 0.000) 2.217 2.918 ( -0.000 11.719 -0.000) 11.719 2.919 ( 0.000 14.603 0.000) 14.603 2.963 ( -0.000 -1.327 -0.000) 1.327 3.079 ( 0.000 6.509 0.000) 6.509 3.130 ( 0.000 8.817 0.000) 8.817 3.447 ( 0.000 11.246 0.000) 11.246 3.476 ( 0.000 18.576 -0.000) 18.576 3.491 ( -0.000 12.048 0.000) 12.048 3.570 ( 0.000 -0.262 0.000) 0.262 3.617 ( -0.000 -5.401 0.000) 5.401 3.687 ( 0.000 -5.403 0.000) 5.403 3.734 ( 0.000 -7.605 0.000) 7.605 3.909 ( 0.000 -4.542 0.000) 4.542 3.953 ( -0.000 2.478 0.000) 2.478 4.142 ( 0.000 3.684 0.000) 3.684 4.228 ( -0.000 4.221 0.000) 4.221 4.303 ( -0.000 1.963 0.000) 1.963 4.349 ( 0.000 -0.677 0.000) 0.677 4.370 ( 0.000 -2.608 0.000) 2.608 4.581 ( 0.000 -5.779 0.000) 5.779 5.332 ( -0.000 4.382 0.000) 4.382 5.367 ( 0.000 8.036 0.000) 8.036 5.439 ( 0.000 2.036 0.000) 2.036 5.453 ( 0.000 4.061 0.000) 4.061 5.560 ( 0.000 3.618 0.000) 3.618 5.573 ( -0.000 2.702 -0.000) 2.702 5.661 ( 0.000 4.958 0.000) 4.958 5.706 ( -0.000 2.897 0.000) 2.897 5.751 ( 0.000 5.799 0.000) 5.799 5.805 ( -0.000 6.416 0.000) 6.416 5.854 ( 0.000 -0.382 -0.000) 0.382 5.859 ( 0.000 1.925 0.000) 1.925 5.884 ( 0.000 -0.306 0.000) 0.306 5.992 ( 0.000 0.164 0.000) 0.164 6.069 ( -0.000 3.303 0.000) 3.303 6.071 ( 0.000 1.722 -0.000) 1.722 6.210 ( 0.000 1.342 0.000) 1.342 6.230 ( 0.000 2.526 0.000) 2.526 6.317 ( -0.000 -1.910 0.000) 1.910 6.463 ( -0.000 -3.984 0.000) 3.984 6.502 ( 0.000 1.826 0.000) 1.826 6.537 ( 0.000 2.454 -0.000) 2.454 6.545 ( 0.000 3.396 0.000) 3.396 6.638 ( 0.000 0.632 0.000) 0.632 6.735 ( -0.000 -1.141 0.000) 1.141 6.822 ( 0.000 1.722 0.000) 1.722 6.840 ( 0.000 11.353 0.000) 11.353 6.913 ( 0.000 1.540 0.000) 1.540 6.917 ( -0.000 7.037 -0.000) 7.037 7.026 ( -0.000 2.918 0.000) 2.918 7.107 ( 0.000 3.047 0.000) 3.047 7.178 ( -0.000 1.464 0.000) 1.464 7.249 ( 0.000 3.973 0.000) 3.973 7.315 ( -0.000 3.547 0.000) 3.547 7.463 ( -0.000 1.302 -0.000) 1.302 7.465 ( 0.000 3.679 0.000) 3.679 7.615 ( -0.000 -0.928 0.000) 0.928 7.800 ( 0.000 0.175 0.000) 0.175 7.819 ( 0.000 1.701 -0.000) 1.701 7.819 ( -0.000 3.417 0.000) 3.417 7.917 ( 0.000 8.980 0.000) 8.980 8.060 ( 0.000 1.151 0.000) 1.151 8.134 ( 0.000 1.682 0.000) 1.682 8.171 ( 0.000 3.387 0.000) 3.387 8.212 ( 0.000 -1.511 0.000) 1.511 8.220 ( 0.000 1.376 -0.000) 1.376 8.419 ( 0.000 -2.321 0.000) 2.321 8.486 ( 0.000 4.965 0.000) 4.965 8.536 ( 0.000 2.280 0.000) 2.280 8.608 ( 0.000 -2.498 -0.000) 2.498 8.633 ( -0.000 -6.656 0.000) 6.656 8.757 ( -0.000 -1.115 -0.000) 1.115 8.764 ( 0.000 5.691 0.000) 5.691 8.789 ( 0.000 8.115 0.000) 8.115 8.886 ( -0.000 4.986 0.000) 4.986 8.924 ( 0.000 6.273 -0.000) 6.273 8.968 ( -0.000 1.525 0.000) 1.525 9.208 ( 0.000 12.170 0.000) 12.170 9.245 ( 0.000 0.802 0.000) 0.802 9.446 ( 0.000 5.158 0.000) 5.158 9.567 ( 0.000 -5.884 0.000) 5.884 9.670 ( 0.000 1.311 0.000) 1.311 9.770 ( 0.000 -4.823 0.000) 4.823 9.930 ( 0.000 -1.272 -0.000) 1.272 9.933 ( -0.000 -2.464 0.000) 2.464 9.979 ( 0.000 -3.552 0.000) 3.552 10.037 ( 0.000 -2.118 0.000) 2.118 10.084 ( 0.000 -4.202 0.000) 4.202 10.286 ( 0.000 -5.613 0.000) 5.613 10.314 ( -0.000 -4.861 0.000) 4.861 ======================= Grid point 85 (32/42) ======================= q-point: ( 0.20 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 1.853 16.188 -3.094) 16.585 1.333 ( 1.456 12.465 2.755) 12.848 1.401 ( 2.592 13.111 -0.073) 13.364 1.459 ( 0.003 12.561 0.130) 12.562 1.604 ( -3.165 9.400 -0.259) 9.922 1.631 ( -5.104 7.725 2.222) 9.522 1.706 ( -0.075 6.408 -0.205) 6.412 1.773 ( -2.400 1.976 -2.014) 3.704 1.851 ( -6.238 7.488 -0.759) 9.776 1.903 ( 0.708 5.010 0.202) 5.064 1.916 ( -0.906 6.734 1.658) 6.994 1.982 ( -0.569 5.357 0.994) 5.478 2.036 ( -3.793 4.636 0.884) 6.055 2.053 ( -3.389 8.049 0.387) 8.742 2.087 ( -2.183 5.169 -1.493) 5.806 2.154 ( -1.539 5.622 0.247) 5.834 2.237 ( -0.796 8.804 -1.010) 8.897 2.255 ( -3.291 2.919 -0.794) 4.470 2.323 ( -2.078 4.921 0.224) 5.346 2.341 ( 1.445 3.464 -1.896) 4.205 2.386 ( -5.412 7.124 -0.855) 8.988 2.446 ( -3.710 6.318 0.014) 7.327 2.464 ( -2.999 4.129 -0.286) 5.111 2.549 ( -2.520 4.433 -1.294) 5.261 2.551 ( 2.070 4.287 3.608) 5.973 2.582 ( 2.066 18.836 -0.426) 18.954 2.642 ( 3.298 8.357 0.007) 8.985 2.680 ( 2.090 9.843 3.306) 10.591 2.853 ( 4.096 15.986 -0.920) 16.528 2.895 ( 1.871 8.296 -2.993) 9.016 2.947 ( 4.464 5.324 2.527) 7.393 2.971 ( 6.890 12.016 -2.942) 14.160 3.042 ( 1.946 4.163 1.725) 4.908 3.105 ( 4.469 10.794 0.300) 11.686 3.177 ( 4.105 6.855 -0.511) 8.007 3.449 ( -0.680 8.079 1.856) 8.317 3.450 ( -0.888 10.460 0.633) 10.517 3.533 ( 2.567 9.454 -2.955) 10.232 3.555 ( -0.848 -0.157 1.559) 1.781 3.641 ( 1.854 -0.845 -0.989) 2.265 3.696 ( 0.163 -3.793 0.117) 3.798 3.720 ( -0.840 -3.489 0.352) 3.606 3.865 ( -3.538 -2.783 -0.020) 4.502 3.915 ( -4.482 3.166 -0.372) 5.500 4.125 ( -1.790 4.683 0.840) 5.084 4.230 ( 0.163 2.991 0.044) 2.996 4.286 ( -1.229 -1.922 -0.592) 2.357 4.343 ( -0.419 -1.078 -0.029) 1.157 4.377 ( 1.063 -2.555 0.087) 2.769 4.622 ( 3.381 -6.042 0.030) 6.923 5.328 ( -0.145 4.337 0.071) 4.340 5.374 ( 0.477 7.162 -0.217) 7.181 5.450 ( 0.022 2.892 1.409) 3.217 5.472 ( 2.497 2.851 0.027) 3.790 5.569 ( 1.479 3.736 -2.208) 4.585 5.604 ( 2.546 2.682 2.091) 4.248 5.642 ( -0.148 3.125 -1.813) 3.616 5.733 ( 1.162 4.251 0.083) 4.408 5.756 ( 0.232 3.547 -0.898) 3.666 5.826 ( 0.774 3.077 0.537) 3.218 5.845 ( -0.347 0.752 0.571) 1.006 5.865 ( 1.734 5.294 0.254) 5.577 5.877 ( 0.199 0.833 0.363) 0.930 6.004 ( 0.129 0.332 -0.226) 0.422 6.034 ( -2.879 3.336 0.971) 4.512 6.075 ( 0.209 3.330 -1.094) 3.512 6.204 ( -0.954 2.273 0.441) 2.504 6.214 ( -1.011 3.813 -0.550) 3.983 6.356 ( 2.327 -1.283 -1.065) 2.862 6.427 ( -3.127 -1.120 2.428) 4.114 6.463 ( -2.364 4.964 -0.950) 5.580 6.518 ( -2.238 4.340 -0.579) 4.917 6.574 ( 2.376 -0.992 0.193) 2.582 6.612 ( -0.462 4.406 0.807) 4.503 6.774 ( 0.873 1.974 -0.810) 2.305 6.821 ( 2.523 1.377 -1.596) 3.288 6.883 ( -1.226 0.485 1.433) 1.947 6.922 ( 4.024 4.085 -0.008) 5.734 6.965 ( 3.987 3.800 0.082) 5.509 6.994 ( -2.601 3.124 0.211) 4.070 7.090 ( -1.090 4.375 -0.481) 4.535 7.162 ( -1.543 3.285 2.849) 4.614 7.206 ( -3.734 2.410 -2.530) 5.114 7.302 ( -1.418 2.989 -0.344) 3.326 7.395 ( -2.667 3.253 -0.620) 4.252 7.517 ( 0.048 2.007 -1.645) 2.596 7.563 ( -3.104 -0.994 3.137) 4.524 7.780 ( -1.583 2.297 2.280) 3.603 7.823 ( -0.217 1.640 -1.441) 2.194 7.857 ( 3.152 3.538 -1.690) 5.030 7.918 ( -0.370 8.028 0.640) 8.062 8.019 ( -3.275 0.692 0.050) 3.348 8.124 ( -1.030 0.652 0.981) 1.565 8.142 ( -1.717 2.462 -2.143) 3.688 8.205 ( -0.917 0.512 -0.950) 1.416 8.270 ( 4.651 -0.244 0.909) 4.745 8.434 ( 0.537 -1.658 1.297) 2.172 8.476 ( -1.970 3.470 1.816) 4.384 8.504 ( -1.535 -1.578 0.151) 2.207 8.596 ( -0.095 -1.087 -0.341) 1.143 8.672 ( 3.184 -2.051 -3.094) 4.891 8.713 ( -3.648 1.178 0.171) 3.837 8.778 ( 0.867 2.428 0.610) 2.650 8.824 ( 2.961 7.204 0.686) 7.819 8.912 ( -0.484 6.438 -1.511) 6.631 8.926 ( 3.172 4.830 0.546) 5.805 8.975 ( 0.478 1.900 0.558) 2.037 9.196 ( -1.155 12.098 0.066) 12.153 9.254 ( 0.384 1.805 -0.596) 1.939 9.380 ( -6.073 6.699 0.688) 9.068 9.582 ( 1.078 -6.867 0.321) 6.958 9.684 ( 1.462 1.222 -0.277) 1.926 9.783 ( 1.747 -4.468 -0.193) 4.801 9.931 ( -0.885 -1.286 0.157) 1.569 9.953 ( 1.889 -2.711 -0.725) 3.383 9.977 ( 0.503 -3.768 0.818) 3.888 10.048 ( 0.467 -3.308 -0.154) 3.344 10.080 ( -0.196 -3.846 0.011) 3.851 10.283 ( -0.267 -5.375 -0.026) 5.382 10.315 ( 0.097 -4.866 0.003) 4.867 ======================= Grid point 86 (33/42) ======================= q-point: ( 0.40 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 2.819 13.899 -0.541) 14.192 1.353 ( -1.726 10.286 -1.692) 10.566 1.452 ( -0.083 9.573 0.527) 9.588 1.492 ( 6.046 7.256 -2.213) 9.700 1.508 ( -2.154 9.684 3.280) 10.448 1.631 ( 1.810 8.695 6.742) 11.151 1.681 ( -4.940 4.884 -0.832) 6.996 1.725 ( -5.054 6.135 -3.605) 8.728 1.737 ( -0.233 6.016 -4.043) 7.252 1.857 ( -4.863 7.138 3.733) 9.410 1.909 ( 0.100 3.776 -0.486) 3.808 1.941 ( -2.623 10.513 -0.561) 10.850 1.948 ( -1.158 7.586 -0.665) 7.703 2.034 ( 0.422 4.814 2.645) 5.509 2.078 ( -2.643 3.782 -2.361) 5.183 2.097 ( -1.123 5.694 0.728) 5.849 2.214 ( -1.167 8.860 -2.023) 9.163 2.221 ( -0.916 7.224 -0.107) 7.282 2.269 ( -2.826 6.130 0.733) 6.789 2.315 ( 0.178 4.532 1.557) 4.795 2.359 ( -1.809 3.174 -1.189) 3.842 2.383 ( -2.801 6.380 0.789) 7.013 2.431 ( 2.091 4.038 -0.651) 4.594 2.556 ( 2.230 3.840 -5.880) 7.369 2.575 ( -0.554 6.909 4.533) 8.282 2.639 ( 1.498 13.440 0.643) 13.539 2.698 ( 3.429 10.963 -0.115) 11.487 2.734 ( 1.063 8.608 1.737) 8.845 2.863 ( -1.572 10.360 0.025) 10.479 2.948 ( 2.117 9.981 0.330) 10.209 3.007 ( 1.828 8.806 -0.051) 8.994 3.067 ( 2.240 11.525 -1.513) 11.837 3.081 ( 3.055 13.615 0.563) 13.964 3.231 ( 6.309 11.871 -0.693) 13.461 3.241 ( 3.712 8.222 -0.592) 9.041 3.396 ( -4.214 2.864 0.429) 5.113 3.444 ( -1.594 8.440 1.796) 8.775 3.546 ( -0.399 2.218 -0.474) 2.303 3.573 ( 2.258 0.495 -1.351) 2.678 3.652 ( -2.260 -2.087 0.599) 3.134 3.674 ( 0.561 1.685 0.390) 1.818 3.728 ( -0.073 2.938 0.111) 2.941 3.810 ( -1.480 3.859 -0.917) 4.234 3.830 ( -2.947 -2.235 0.527) 3.735 4.095 ( -1.075 4.881 0.117) 4.999 4.235 ( 0.292 0.844 0.691) 1.129 4.272 ( -0.245 -4.740 -0.736) 4.803 4.337 ( -0.172 -0.913 -0.056) 0.931 4.396 ( 0.641 -2.927 0.091) 2.998 4.673 ( 1.668 -7.300 -0.005) 7.488 5.330 ( 0.198 4.180 -0.024) 4.185 5.374 ( -0.311 5.841 -0.184) 5.852 5.457 ( 0.309 1.384 0.720) 1.590 5.507 ( 0.964 3.890 0.064) 4.008 5.607 ( 2.045 3.401 -0.684) 4.027 5.651 ( 1.687 5.813 0.152) 6.055 5.660 ( 1.709 -1.085 0.188) 2.033 5.736 ( -0.222 1.837 -0.188) 1.859 5.746 ( -0.934 1.440 -0.623) 1.826 5.828 ( 0.637 4.099 -0.545) 4.184 5.849 ( 0.017 -0.887 0.690) 1.124 5.890 ( -0.161 2.087 -0.284) 2.113 5.926 ( 3.084 6.215 0.866) 6.992 5.951 ( -2.530 5.034 0.166) 5.637 6.019 ( -0.293 5.596 0.400) 5.618 6.074 ( -0.176 4.548 -0.828) 4.626 6.177 ( -1.522 4.798 -0.066) 5.034 6.196 ( -0.737 3.637 0.066) 3.712 6.347 ( -1.123 4.528 -0.871) 4.746 6.385 ( -1.253 1.733 1.180) 2.442 6.458 ( -1.018 4.556 -0.468) 4.692 6.498 ( 1.519 2.988 0.218) 3.359 6.606 ( 0.798 0.595 -0.226) 1.021 6.611 ( -0.046 4.183 0.444) 4.207 6.798 ( 1.698 3.244 -0.077) 3.662 6.849 ( -0.423 1.093 -0.966) 1.519 6.856 ( 0.136 -0.727 0.296) 0.797 6.933 ( -2.551 3.178 1.007) 4.198 6.988 ( 2.187 1.939 -0.798) 3.029 7.032 ( 0.231 -0.606 0.311) 0.719 7.077 ( 1.272 3.536 -0.266) 3.767 7.125 ( -3.312 2.436 -0.355) 4.126 7.172 ( 1.145 3.926 0.394) 4.108 7.273 ( -1.144 1.695 -0.076) 2.046 7.372 ( 0.035 2.367 0.942) 2.548 7.457 ( -2.951 2.607 -1.966) 4.401 7.560 ( 0.026 -0.383 1.733) 1.775 7.771 ( 0.102 2.923 1.477) 3.276 7.799 ( -1.398 3.431 -1.540) 4.012 7.874 ( -1.085 4.544 -0.528) 4.702 7.926 ( 1.477 5.711 0.364) 5.910 7.969 ( -1.844 0.361 -0.192) 1.889 8.107 ( 0.193 1.438 0.112) 1.455 8.127 ( -1.028 0.947 0.091) 1.401 8.190 ( 0.131 -0.799 -1.171) 1.423 8.357 ( 3.579 1.858 0.445) 4.057 8.412 ( -1.448 -2.870 1.646) 3.611 8.461 ( -1.344 -0.607 1.879) 2.389 8.479 ( -0.692 -3.320 -2.516) 4.223 8.605 ( 0.956 2.487 -1.135) 2.896 8.650 ( -2.227 -0.031 1.963) 2.969 8.733 ( 2.836 3.438 -1.371) 4.663 8.780 ( -0.852 -0.026 -0.127) 0.862 8.879 ( 2.592 6.150 -0.227) 6.678 8.907 ( -0.362 5.335 -0.230) 5.352 8.976 ( 1.432 3.968 1.390) 4.441 8.981 ( 0.250 3.522 -0.687) 3.597 9.174 ( -0.875 11.882 0.062) 11.915 9.250 ( -0.183 5.823 -0.866) 5.890 9.278 ( -3.804 6.679 0.709) 7.719 9.597 ( 0.408 -7.568 0.324) 7.586 9.713 ( 1.258 1.101 -0.206) 1.684 9.819 ( 1.382 -4.615 -0.292) 4.827 9.906 ( -1.047 -1.453 0.226) 1.805 9.984 ( 1.220 -3.969 -0.650) 4.203 10.000 ( 1.364 -3.139 1.177) 3.619 10.037 ( -1.182 -3.619 -0.632) 3.859 10.081 ( 0.018 -4.156 0.137) 4.159 10.279 ( -0.137 -5.138 -0.020) 5.140 10.316 ( -0.000 -4.762 0.001) 4.762 ======================= Grid point 89 (34/42) ======================= q-point: ( 0.00 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 0.000 10.180 0.000) 10.180 1.573 ( 0.000 10.046 0.000) 10.046 1.633 ( 0.000 10.073 0.000) 10.073 1.714 ( -0.000 10.320 0.000) 10.320 1.777 ( -0.000 1.926 0.000) 1.926 1.783 ( 0.000 8.943 0.000) 8.943 1.871 ( 0.000 -0.067 0.000) 0.067 1.902 ( 0.000 9.670 -0.000) 9.670 1.911 ( -0.000 0.942 -0.000) 0.942 2.007 ( -0.000 1.100 0.000) 1.100 2.013 ( 0.000 2.421 -0.000) 2.421 2.056 ( 0.000 2.741 0.000) 2.741 2.105 ( 0.000 3.499 0.000) 3.499 2.160 ( -0.000 6.216 0.000) 6.216 2.242 ( 0.000 0.910 0.000) 0.910 2.268 ( 0.000 -2.444 0.000) 2.444 2.275 ( 0.000 3.787 -0.000) 3.787 2.395 ( 0.000 7.773 0.000) 7.773 2.420 ( 0.000 -0.552 0.000) 0.552 2.444 ( -0.000 5.026 0.000) 5.026 2.505 ( -0.000 4.105 0.000) 4.105 2.527 ( 0.000 1.627 0.000) 1.627 2.571 ( -0.000 0.316 0.000) 0.316 2.625 ( 0.000 -4.985 0.000) 4.985 2.644 ( -0.000 2.749 -0.000) 2.749 2.700 ( 0.000 1.470 0.000) 1.470 2.721 ( -0.000 -3.149 0.000) 3.149 2.789 ( 0.000 -0.892 0.000) 0.892 2.812 ( -0.000 -0.434 0.000) 0.434 2.888 ( 0.000 7.144 0.000) 7.144 2.995 ( 0.000 -3.559 0.000) 3.559 3.030 ( -0.000 3.990 0.000) 3.990 3.111 ( 0.000 2.837 0.000) 2.837 3.277 ( -0.000 -1.072 -0.000) 1.072 3.301 ( 0.000 3.611 0.000) 3.611 3.390 ( 0.000 3.843 0.000) 3.843 3.523 ( 0.000 -4.856 0.000) 4.856 3.632 ( 0.000 4.061 0.000) 4.061 3.671 ( -0.000 4.910 0.000) 4.910 3.748 ( 0.000 10.900 0.000) 10.900 3.827 ( 0.000 11.627 0.000) 11.627 3.828 ( -0.000 11.790 0.000) 11.790 4.005 ( 0.000 16.691 0.000) 16.691 4.089 ( -0.000 11.499 0.000) 11.499 4.230 ( 0.000 4.899 -0.000) 4.899 4.297 ( -0.000 1.860 0.000) 1.860 4.357 ( 0.000 1.951 0.000) 1.951 4.375 ( 0.000 3.940 0.000) 3.940 4.441 ( -0.000 9.904 0.000) 9.904 4.549 ( 0.000 3.406 0.000) 3.406 5.413 ( -0.000 4.925 0.000) 4.925 5.475 ( 0.000 3.738 0.000) 3.738 5.489 ( 0.000 2.761 0.000) 2.761 5.516 ( 0.000 2.115 0.000) 2.115 5.617 ( 0.000 3.014 0.000) 3.014 5.646 ( 0.000 4.052 0.000) 4.052 5.730 ( 0.000 -0.099 0.000) 0.099 5.735 ( -0.000 0.362 -0.000) 0.362 5.810 ( 0.000 -2.319 0.000) 2.319 5.827 ( -0.000 2.550 0.000) 2.550 5.855 ( 0.000 1.813 0.000) 1.813 5.950 ( -0.000 6.149 0.000) 6.149 5.974 ( 0.000 5.035 0.000) 5.035 6.026 ( 0.000 3.651 0.000) 3.651 6.130 ( 0.000 4.284 0.000) 4.284 6.152 ( 0.000 4.149 -0.000) 4.149 6.188 ( 0.000 -2.084 0.000) 2.084 6.245 ( 0.000 -0.738 0.000) 0.738 6.324 ( 0.000 2.018 0.000) 2.018 6.420 ( 0.000 0.303 0.000) 0.303 6.479 ( 0.000 -0.977 0.000) 0.977 6.570 ( 0.000 -0.457 0.000) 0.457 6.619 ( 0.000 -0.682 0.000) 0.682 6.682 ( 0.000 6.216 0.000) 6.216 6.719 ( -0.000 -0.224 0.000) 0.224 6.861 ( 0.000 2.168 0.000) 2.168 6.950 ( 0.000 2.361 0.000) 2.361 7.025 ( 0.000 5.601 0.000) 5.601 7.056 ( -0.000 3.688 0.000) 3.688 7.115 ( 0.000 6.715 0.000) 6.715 7.180 ( -0.000 -0.890 0.000) 0.890 7.183 ( 0.000 5.014 -0.000) 5.014 7.316 ( 0.000 2.880 0.000) 2.880 7.379 ( 0.000 2.733 0.000) 2.733 7.491 ( -0.000 1.617 -0.000) 1.617 7.524 ( 0.000 2.329 0.000) 2.329 7.619 ( -0.000 1.354 0.000) 1.354 7.773 ( 0.000 -2.358 -0.000) 2.358 7.869 ( 0.000 2.945 0.000) 2.945 7.891 ( -0.000 3.589 0.000) 3.589 8.054 ( 0.000 -0.812 0.000) 0.812 8.062 ( 0.000 5.065 0.000) 5.065 8.144 ( 0.000 -4.828 0.000) 4.828 8.179 ( 0.000 1.637 0.000) 1.637 8.242 ( 0.000 3.504 0.000) 3.504 8.251 ( 0.000 1.542 0.000) 1.542 8.389 ( 0.000 -1.560 0.000) 1.560 8.476 ( 0.000 -4.106 -0.000) 4.106 8.564 ( -0.000 2.452 0.000) 2.452 8.577 ( -0.000 -0.421 0.000) 0.421 8.585 ( 0.000 0.633 -0.000) 0.633 8.789 ( 0.000 4.235 0.000) 4.235 8.838 ( 0.000 3.220 0.000) 3.220 8.938 ( 0.000 6.855 0.000) 6.855 8.990 ( -0.000 6.399 0.000) 6.399 9.057 ( -0.000 6.379 0.000) 6.379 9.092 ( 0.000 7.240 0.000) 7.240 9.268 ( 0.000 1.724 0.000) 1.724 9.401 ( -0.000 -0.006 0.000) 0.006 9.460 ( 0.000 1.873 0.000) 1.873 9.547 ( 0.000 4.457 0.000) 4.457 9.677 ( 0.000 -4.489 0.000) 4.489 9.709 ( 0.000 2.591 0.000) 2.591 9.888 ( 0.000 -1.975 -0.000) 1.975 9.907 ( 0.000 -1.085 0.000) 1.085 9.924 ( -0.000 -1.761 0.000) 1.761 9.989 ( 0.000 -2.815 0.000) 2.815 10.018 ( 0.000 -2.155 0.000) 2.155 10.191 ( 0.000 -3.931 0.000) 3.931 10.224 ( -0.000 -4.060 0.000) 4.060 ======================= Grid point 91 (35/42) ======================= q-point: ( 0.20 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 1.568 9.877 -0.696) 10.025 1.550 ( -2.034 9.062 -0.191) 9.289 1.616 ( -1.304 8.567 -0.368) 8.673 1.686 ( -2.477 10.036 1.555) 10.453 1.759 ( -3.655 5.952 -0.939) 7.047 1.788 ( -0.578 3.523 -0.721) 3.642 1.806 ( -1.511 4.822 1.603) 5.302 1.855 ( -3.894 7.139 0.062) 8.132 1.935 ( -4.035 2.135 0.138) 4.567 1.969 ( 1.754 -0.041 4.453) 4.787 2.010 ( -0.185 4.144 -2.427) 4.806 2.075 ( 0.536 4.648 -0.513) 4.706 2.123 ( -0.279 0.120 -1.965) 1.988 2.136 ( -2.842 5.757 -0.943) 6.489 2.197 ( -3.400 5.291 0.890) 6.352 2.237 ( -2.595 1.811 1.319) 3.428 2.269 ( 1.178 -0.156 -4.384) 4.542 2.373 ( -3.573 1.611 1.666) 4.259 2.401 ( -0.754 6.122 -1.521) 6.353 2.419 ( -3.152 2.599 1.524) 4.361 2.467 ( -5.165 1.847 3.704) 6.619 2.517 ( -5.308 2.044 -0.787) 5.742 2.525 ( 0.014 0.797 -1.435) 1.642 2.573 ( 0.859 2.634 0.619) 2.839 2.600 ( -1.866 2.428 1.556) 3.435 2.693 ( 3.107 -1.439 -2.796) 4.421 2.824 ( 5.686 -2.742 0.574) 6.339 2.858 ( 4.112 1.214 -0.260) 4.295 2.922 ( 7.129 1.856 -1.522) 7.522 2.952 ( 4.454 1.396 0.329) 4.679 3.005 ( 3.644 -0.872 0.246) 3.755 3.079 ( 4.000 3.669 -0.081) 5.428 3.120 ( 2.810 2.569 2.079) 4.338 3.281 ( 0.312 -1.441 -0.349) 1.516 3.357 ( 2.396 1.540 0.707) 2.934 3.433 ( 1.788 -3.433 -1.432) 4.127 3.514 ( 1.828 2.976 -0.177) 3.497 3.613 ( -3.039 2.221 -0.321) 3.777 3.675 ( 0.152 5.364 0.510) 5.390 3.733 ( -0.472 11.037 1.321) 11.126 3.749 ( -4.542 11.154 -1.566) 12.145 3.817 ( -2.720 8.778 0.837) 9.228 3.992 ( -0.372 15.144 0.123) 15.149 4.127 ( 2.541 13.769 -0.839) 14.027 4.260 ( 2.466 6.149 0.042) 6.626 4.295 ( -0.653 2.610 0.389) 2.719 4.332 ( -3.693 3.484 0.030) 5.077 4.378 ( 0.309 4.046 0.747) 4.126 4.400 ( -1.573 10.022 -0.802) 10.176 4.568 ( 1.048 1.411 0.011) 1.757 5.392 ( -1.304 2.994 -0.424) 3.293 5.462 ( -1.547 2.019 0.764) 2.656 5.512 ( -0.234 3.374 1.013) 3.531 5.535 ( 3.548 4.048 -0.532) 5.410 5.623 ( 0.708 1.371 0.373) 1.588 5.657 ( 1.319 4.654 -1.144) 4.971 5.696 ( -0.002 0.611 -0.721) 0.946 5.760 ( -0.838 -0.574 0.228) 1.041 5.803 ( -1.065 -0.249 0.388) 1.160 5.856 ( 0.501 2.659 -0.167) 2.711 5.866 ( 3.932 3.684 -0.348) 5.400 5.955 ( 0.785 5.547 1.374) 5.769 5.997 ( 2.155 4.387 -1.309) 5.060 6.049 ( 1.604 4.221 0.378) 4.531 6.121 ( 0.019 5.157 0.367) 5.170 6.154 ( 0.272 4.145 -0.591) 4.196 6.217 ( 1.538 -0.304 0.462) 1.634 6.287 ( 3.092 1.622 -0.214) 3.498 6.344 ( 2.731 0.606 0.227) 2.806 6.409 ( -0.773 0.124 0.328) 0.849 6.481 ( 0.412 -2.728 -0.508) 2.806 6.559 ( -2.166 -0.629 -0.440) 2.299 6.585 ( -1.658 1.875 0.798) 2.627 6.685 ( 0.022 4.049 0.097) 4.050 6.736 ( 1.169 -2.332 -1.387) 2.954 6.866 ( 0.363 2.404 0.534) 2.489 6.950 ( -0.113 3.710 0.258) 3.721 7.031 ( 0.490 5.463 0.292) 5.493 7.036 ( -1.903 3.028 -0.338) 3.592 7.089 ( -2.523 2.724 1.039) 3.856 7.139 ( -1.698 3.245 0.587) 3.709 7.202 ( -0.419 1.686 -2.845) 3.334 7.297 ( -1.204 4.626 0.955) 4.875 7.359 ( -2.260 2.921 1.391) 3.946 7.454 ( -2.308 3.109 -1.852) 4.292 7.546 ( -2.770 0.638 -2.679) 3.906 7.554 ( -1.375 0.609 4.186) 4.448 7.793 ( 1.038 -1.720 1.369) 2.431 7.858 ( -0.238 3.118 -1.633) 3.528 7.937 ( 3.562 3.978 -0.479) 5.361 7.995 ( -4.355 -1.123 -0.686) 4.549 8.070 ( 0.423 4.692 0.757) 4.772 8.165 ( -0.542 2.120 -0.926) 2.376 8.200 ( -2.884 2.496 1.233) 4.008 8.210 ( 3.092 -1.916 1.293) 3.860 8.236 ( -0.667 0.873 -2.379) 2.620 8.401 ( 1.104 -2.157 -1.850) 3.049 8.469 ( -1.024 -1.246 3.885) 4.207 8.512 ( -4.491 1.720 2.909) 5.621 8.580 ( 0.341 -1.336 -2.176) 2.577 8.637 ( 4.367 -0.121 -2.694) 5.132 8.772 ( -1.689 5.192 0.247) 5.465 8.839 ( 0.226 3.409 0.569) 3.464 8.956 ( 1.653 6.135 0.466) 6.371 9.013 ( 1.984 5.618 -0.878) 6.022 9.053 ( -0.124 6.339 1.304) 6.473 9.098 ( 0.492 6.888 -1.152) 7.001 9.284 ( 1.244 1.467 0.184) 1.932 9.399 ( -0.341 3.250 0.014) 3.268 9.451 ( -0.628 -1.415 0.051) 1.549 9.507 ( -3.775 5.349 0.065) 6.547 9.690 ( 1.304 -4.380 0.502) 4.597 9.724 ( 1.486 2.252 -0.652) 2.775 9.900 ( 1.164 -2.157 -0.467) 2.495 9.907 ( -1.449 -1.684 0.241) 2.235 9.925 ( 1.509 -1.060 0.578) 1.932 9.989 ( -0.122 -2.665 -0.498) 2.714 10.019 ( 0.015 -2.092 0.268) 2.109 10.191 ( -0.027 -3.878 -0.015) 3.878 10.226 ( 0.181 -4.014 -0.006) 4.018 ======================= Grid point 92 (36/42) ======================= q-point: ( 0.40 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 0.011 10.271 0.479) 10.282 1.519 ( -0.974 6.213 -0.940) 6.359 1.608 ( 0.411 5.388 -0.591) 5.436 1.646 ( -1.508 9.337 0.418) 9.467 1.687 ( -1.956 7.500 -0.654) 7.778 1.751 ( -2.100 1.919 1.150) 3.068 1.788 ( -2.392 5.225 0.838) 5.807 1.828 ( 0.811 6.088 3.386) 7.013 1.862 ( -2.270 5.553 -4.317) 7.391 1.993 ( -0.730 4.382 -0.575) 4.479 2.012 ( 0.251 5.299 0.914) 5.383 2.053 ( -0.123 3.007 3.958) 4.972 2.095 ( -1.055 2.670 -2.515) 3.817 2.109 ( 0.331 6.006 -1.590) 6.221 2.150 ( -2.992 6.516 -0.084) 7.171 2.197 ( -0.959 3.963 0.814) 4.158 2.267 ( -2.283 -1.517 -1.970) 3.376 2.288 ( -1.578 -1.806 -0.790) 2.525 2.363 ( -2.281 3.321 1.661) 4.358 2.394 ( -0.063 2.722 0.267) 2.736 2.453 ( 0.430 6.549 1.161) 6.665 2.478 ( 2.357 1.960 -1.699) 3.505 2.507 ( -1.780 3.965 0.450) 4.369 2.579 ( 1.132 1.274 -3.154) 3.585 2.608 ( -1.707 0.827 4.482) 4.867 2.723 ( 0.951 -1.712 -1.139) 2.266 2.887 ( 1.954 -2.489 0.922) 3.296 2.916 ( 1.011 3.222 -0.648) 3.438 2.980 ( 2.665 4.744 1.431) 5.626 3.015 ( 0.475 4.353 -2.458) 5.022 3.124 ( 4.698 4.118 -1.054) 6.336 3.166 ( 7.361 -4.141 0.061) 8.446 3.254 ( 6.724 3.702 1.627) 7.847 3.289 ( -0.590 -5.627 1.727) 5.915 3.320 ( -1.499 -4.206 0.266) 4.473 3.412 ( -4.244 -4.150 -0.917) 6.006 3.518 ( -4.188 1.992 -0.908) 4.726 3.538 ( -2.844 6.828 -0.659) 7.426 3.672 ( 0.521 12.384 -0.325) 12.399 3.702 ( -0.790 2.468 0.428) 2.627 3.764 ( 1.876 10.960 0.149) 11.120 3.797 ( 1.296 4.326 0.369) 4.531 4.011 ( 2.924 15.157 0.475) 15.443 4.115 ( -4.982 17.566 -0.568) 18.268 4.240 ( -1.502 6.353 0.199) 6.531 4.295 ( 0.663 2.542 -0.735) 2.728 4.311 ( 0.485 6.515 0.644) 6.565 4.387 ( 0.348 5.186 0.514) 5.223 4.392 ( 0.067 9.020 -0.481) 9.033 4.577 ( 0.094 -1.604 -0.011) 1.607 5.375 ( -0.397 1.153 -0.540) 1.333 5.436 ( -0.992 0.379 0.627) 1.234 5.508 ( -0.200 4.811 0.388) 4.831 5.584 ( 1.315 3.818 0.146) 4.040 5.640 ( 0.688 -0.052 0.033) 0.691 5.691 ( 1.932 5.328 -0.694) 5.710 5.702 ( 0.232 0.103 -0.244) 0.352 5.743 ( -0.544 0.833 -0.059) 0.997 5.791 ( -0.089 1.680 0.224) 1.698 5.862 ( 0.370 2.803 -0.047) 2.828 5.927 ( 1.659 4.883 0.230) 5.162 5.970 ( -0.081 5.620 0.425) 5.637 6.036 ( 2.424 4.566 -1.915) 5.513 6.063 ( 0.015 5.955 0.979) 6.035 6.130 ( -0.786 3.104 0.842) 3.311 6.153 ( 0.577 5.601 -1.044) 5.727 6.249 ( 2.152 2.663 1.386) 3.694 6.306 ( -1.288 5.229 -0.628) 5.422 6.400 ( 2.820 1.155 -0.192) 3.054 6.435 ( 2.866 0.468 0.128) 2.907 6.483 ( -1.073 -4.410 -0.065) 4.539 6.513 ( -1.792 -0.474 -0.507) 1.922 6.562 ( -0.768 -1.473 0.900) 1.889 6.680 ( -0.338 1.791 -0.158) 1.829 6.757 ( 1.261 -2.073 -0.758) 2.542 6.863 ( -0.927 1.414 0.317) 1.720 6.953 ( 0.537 6.008 0.389) 6.044 6.997 ( -1.551 3.283 -0.307) 3.644 7.023 ( -1.202 1.437 -0.108) 1.876 7.065 ( -0.415 2.604 0.526) 2.689 7.122 ( -1.026 1.145 -0.365) 1.580 7.165 ( -1.013 1.988 -0.812) 2.375 7.303 ( 0.973 5.785 -0.382) 5.879 7.316 ( -1.900 3.602 1.891) 4.490 7.413 ( -1.514 2.141 -0.876) 2.764 7.481 ( -1.806 0.502 0.437) 1.925 7.558 ( -0.170 -0.051 0.228) 0.289 7.809 ( 0.379 -1.169 0.787) 1.459 7.857 ( 0.370 4.474 -1.495) 4.732 7.924 ( -2.483 0.330 0.115) 2.507 7.987 ( 1.264 4.130 0.184) 4.323 8.078 ( 0.333 5.749 -0.125) 5.760 8.140 ( -1.236 3.194 0.359) 3.443 8.177 ( 1.105 2.324 -0.830) 2.704 8.207 ( -1.413 2.357 -0.186) 2.755 8.275 ( 1.571 -4.365 0.346) 4.652 8.401 ( -0.532 -3.355 -1.416) 3.681 8.431 ( -2.568 -1.542 1.124) 3.199 8.471 ( -0.495 3.444 2.057) 4.042 8.591 ( 0.948 -2.379 -0.837) 2.694 8.699 ( 1.878 -0.993 -0.929) 2.318 8.746 ( -0.647 6.618 0.059) 6.650 8.844 ( 0.082 3.649 0.326) 3.664 8.985 ( 0.973 5.184 0.324) 5.284 9.040 ( 0.804 6.007 -0.773) 6.110 9.066 ( 0.996 5.399 0.991) 5.579 9.099 ( -0.275 5.916 -0.599) 5.953 9.301 ( 0.478 1.213 0.045) 1.305 9.386 ( -0.749 7.689 0.032) 7.725 9.441 ( -2.105 5.850 -0.490) 6.237 9.447 ( -0.194 -4.688 0.539) 4.723 9.717 ( 1.047 -5.170 0.388) 5.289 9.749 ( 0.972 2.067 -0.536) 2.346 9.881 ( -0.987 -1.263 0.139) 1.609 9.922 ( 0.892 -2.024 -0.229) 2.224 9.955 ( 1.323 -1.412 0.777) 2.085 9.980 ( -0.660 -2.167 -0.764) 2.391 10.017 ( -0.269 -2.140 0.213) 2.167 10.190 ( -0.025 -3.770 -0.011) 3.770 10.228 ( 0.077 -3.938 -0.003) 3.939 ======================= Grid point 95 (37/42) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 0.000 6.366 0.000) 6.366 1.710 ( 0.000 3.566 0.000) 3.566 1.782 ( 0.000 4.629 0.000) 4.629 1.784 ( -0.000 -1.133 -0.000) 1.133 1.816 ( 0.000 -3.336 0.000) 3.336 1.853 ( -0.000 3.254 0.000) 3.254 1.946 ( -0.000 1.605 0.000) 1.605 1.964 ( 0.000 7.486 0.000) 7.486 1.995 ( -0.000 -1.514 0.000) 1.514 2.004 ( 0.000 1.226 -0.000) 1.226 2.032 ( 0.000 0.936 -0.000) 0.936 2.093 ( 0.000 -3.799 0.000) 3.799 2.172 ( -0.000 6.790 -0.000) 6.790 2.218 ( 0.000 -1.823 -0.000) 1.823 2.225 ( -0.000 -0.667 0.000) 0.667 2.309 ( -0.000 7.067 0.000) 7.067 2.351 ( 0.000 2.649 0.000) 2.649 2.387 ( 0.000 -1.143 0.000) 1.143 2.494 ( -0.000 -2.417 0.000) 2.417 2.495 ( -0.000 -3.403 -0.000) 3.403 2.503 ( 0.000 -2.462 -0.000) 2.462 2.536 ( -0.000 2.705 0.000) 2.705 2.564 ( 0.000 4.131 0.000) 4.131 2.569 ( -0.000 -0.022 0.000) 0.022 2.644 ( 0.000 -1.292 0.000) 1.292 2.714 ( -0.000 0.410 0.000) 0.410 2.735 ( -0.000 3.756 0.000) 3.756 2.750 ( 0.000 -4.075 0.000) 4.075 2.784 ( -0.000 -1.582 0.000) 1.582 2.857 ( -0.000 -3.046 0.000) 3.046 2.917 ( 0.000 -5.044 0.000) 5.044 3.012 ( -0.000 -5.458 -0.000) 5.458 3.167 ( -0.000 -4.278 -0.000) 4.278 3.204 ( 0.000 -5.723 0.000) 5.723 3.240 ( -0.000 4.771 -0.000) 4.771 3.338 ( 0.000 -3.996 0.000) 3.996 3.648 ( 0.000 6.611 0.000) 6.611 3.690 ( 0.000 1.238 0.000) 1.238 3.782 ( 0.000 6.214 0.000) 6.214 3.895 ( 0.000 2.298 0.000) 2.298 4.050 ( 0.000 12.352 0.000) 12.352 4.089 ( 0.000 11.624 0.000) 11.624 4.299 ( -0.000 2.537 0.000) 2.537 4.323 ( 0.000 1.501 0.000) 1.501 4.334 ( 0.000 13.368 0.000) 13.368 4.351 ( -0.000 11.905 0.000) 11.905 4.465 ( -0.000 7.572 -0.000) 7.572 4.483 ( 0.000 5.998 0.000) 5.998 4.635 ( -0.000 8.624 0.000) 8.624 4.672 ( 0.000 6.921 0.000) 6.921 5.510 ( -0.000 0.936 0.000) 0.936 5.519 ( 0.000 3.486 0.000) 3.486 5.551 ( -0.000 2.728 0.000) 2.728 5.553 ( 0.000 1.960 -0.000) 1.960 5.668 ( 0.000 -0.627 0.000) 0.627 5.692 ( 0.000 4.198 0.000) 4.198 5.728 ( 0.000 1.682 0.000) 1.682 5.754 ( 0.000 1.130 0.000) 1.130 5.837 ( 0.000 5.109 0.000) 5.109 5.866 ( -0.000 1.196 0.000) 1.196 5.907 ( 0.000 2.909 0.000) 2.909 5.977 ( 0.000 -2.303 0.000) 2.303 6.049 ( 0.000 3.008 0.000) 3.008 6.123 ( 0.000 3.689 0.000) 3.689 6.171 ( -0.000 0.345 0.000) 0.345 6.210 ( 0.000 1.447 -0.000) 1.447 6.232 ( 0.000 4.957 0.000) 4.957 6.273 ( 0.000 4.157 0.000) 4.157 6.358 ( 0.000 1.257 0.000) 1.257 6.425 ( -0.000 -0.858 0.000) 0.858 6.473 ( 0.000 0.095 0.000) 0.095 6.504 ( 0.000 -4.261 0.000) 4.261 6.639 ( 0.000 1.476 0.000) 1.476 6.703 ( -0.000 -1.072 0.000) 1.072 6.785 ( 0.000 3.837 0.000) 3.837 6.909 ( -0.000 2.309 0.000) 2.309 6.970 ( 0.000 -0.366 0.000) 0.366 7.088 ( -0.000 -5.159 0.000) 5.159 7.117 ( 0.000 4.634 0.000) 4.634 7.122 ( -0.000 3.394 0.000) 3.394 7.262 ( 0.000 4.417 0.000) 4.417 7.272 ( 0.000 2.755 0.000) 2.755 7.383 ( 0.000 4.034 0.000) 4.034 7.422 ( -0.000 1.840 0.000) 1.840 7.516 ( -0.000 0.447 0.000) 0.447 7.554 ( 0.000 0.461 0.000) 0.461 7.659 ( -0.000 2.186 0.000) 2.186 7.724 ( 0.000 -2.070 -0.000) 2.070 7.927 ( 0.000 2.792 0.000) 2.792 7.957 ( 0.000 2.804 0.000) 2.804 8.042 ( 0.000 -0.467 0.000) 0.467 8.054 ( -0.000 -3.215 0.000) 3.215 8.116 ( 0.000 0.275 0.000) 0.275 8.186 ( 0.000 -1.284 0.000) 1.284 8.263 ( -0.000 0.271 0.000) 0.271 8.272 ( 0.000 -0.378 0.000) 0.378 8.386 ( 0.000 1.822 0.000) 1.822 8.432 ( 0.000 -0.639 0.000) 0.639 8.566 ( -0.000 0.171 0.000) 0.171 8.590 ( 0.000 0.170 0.000) 0.170 8.676 ( 0.000 7.184 0.000) 7.184 8.886 ( -0.000 4.579 0.000) 4.579 8.908 ( 0.000 3.375 0.000) 3.375 9.044 ( 0.000 2.506 0.000) 2.506 9.116 ( 0.000 5.696 0.000) 5.696 9.161 ( 0.000 3.973 0.000) 3.973 9.210 ( 0.000 4.147 0.000) 4.147 9.281 ( 0.000 -5.463 0.000) 5.463 9.316 ( -0.000 3.220 0.000) 3.220 9.577 ( 0.000 2.791 0.000) 2.791 9.589 ( 0.000 -2.643 0.000) 2.643 9.615 ( -0.000 2.304 0.000) 2.304 9.768 ( 0.000 3.036 0.000) 3.036 9.859 ( 0.000 -0.868 -0.000) 0.868 9.892 ( 0.000 -0.260 0.000) 0.260 9.903 ( -0.000 -0.524 0.000) 0.524 9.937 ( 0.000 -2.300 0.000) 2.300 9.983 ( 0.000 -1.720 0.000) 1.720 10.130 ( 0.000 -2.099 0.000) 2.099 10.156 ( -0.000 -2.638 0.000) 2.638 ======================= Grid point 97 (38/42) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 0.076 5.368 -0.662) 5.410 1.690 ( -1.951 4.886 0.376) 5.275 1.747 ( -2.774 2.924 -0.607) 4.076 1.780 ( -1.140 0.178 0.455) 1.240 1.806 ( -0.243 -1.217 1.038) 1.618 1.849 ( -1.304 3.528 0.530) 3.799 1.876 ( -4.101 3.015 1.057) 5.198 1.976 ( -2.147 1.407 -0.794) 2.687 1.988 ( -2.063 -0.231 -4.215) 4.698 2.001 ( 0.487 6.297 0.741) 6.359 2.025 ( 1.284 1.358 0.158) 1.875 2.092 ( 0.042 -1.969 1.412) 2.423 2.150 ( 0.165 -2.102 1.672) 2.691 2.195 ( -1.513 2.470 0.802) 3.005 2.243 ( -0.118 1.192 -1.700) 2.080 2.279 ( -4.096 2.721 -1.926) 5.281 2.317 ( -1.187 4.341 -0.560) 4.535 2.384 ( -2.302 0.592 2.171) 3.220 2.444 ( -2.980 0.667 -0.648) 3.121 2.454 ( -3.093 0.097 2.165) 3.777 2.512 ( -4.216 -0.764 0.892) 4.376 2.519 ( -1.060 -0.957 -0.017) 1.429 2.570 ( 0.012 1.148 -2.226) 2.504 2.588 ( 3.340 0.136 0.277) 3.354 2.634 ( 3.408 -0.036 -1.460) 3.708 2.681 ( -1.936 2.223 -1.698) 3.402 2.722 ( -0.788 -1.969 3.887) 4.428 2.815 ( 7.808 -1.888 -2.293) 8.354 2.850 ( 3.759 -6.314 1.607) 7.522 2.928 ( 7.695 -2.086 -0.425) 7.984 3.007 ( 4.567 -1.604 0.805) 4.907 3.073 ( 5.098 -4.505 -1.304) 6.927 3.142 ( 0.230 -7.739 -1.055) 7.814 3.227 ( 0.437 4.814 -0.617) 4.873 3.285 ( 2.734 -4.754 2.825) 6.169 3.330 ( -0.105 -1.999 -0.113) 2.005 3.639 ( -1.948 3.270 0.059) 3.806 3.654 ( -2.233 2.271 -1.176) 3.395 3.799 ( 1.103 5.850 0.446) 5.969 3.890 ( -1.532 2.309 0.534) 2.822 3.995 ( -3.854 12.544 -0.091) 13.123 4.027 ( -5.182 11.544 -0.353) 12.658 4.271 ( -2.266 6.924 -0.338) 7.293 4.286 ( -1.072 1.898 0.918) 2.366 4.334 ( 0.383 6.015 -0.595) 6.056 4.423 ( 4.575 10.569 0.048) 11.517 4.472 ( -0.345 8.426 -1.161) 8.513 4.526 ( 3.314 8.328 1.522) 9.092 4.620 ( -1.277 9.941 -0.266) 10.026 4.659 ( -1.326 6.375 -0.109) 6.512 5.444 ( -3.782 1.900 -0.672) 4.285 5.479 ( -3.509 0.246 0.768) 3.601 5.586 ( 2.407 3.358 -0.382) 4.149 5.603 ( 2.909 1.413 1.060) 3.403 5.675 ( -0.443 3.229 -0.237) 3.267 5.704 ( 3.014 1.696 -0.407) 3.483 5.717 ( 0.467 3.443 -0.356) 3.493 5.800 ( 2.384 1.746 0.280) 2.968 5.834 ( -0.213 5.592 -0.280) 5.603 5.902 ( 0.375 2.573 1.249) 2.885 5.939 ( 6.140 2.000 -1.437) 6.615 6.014 ( 2.980 -0.780 0.634) 3.145 6.055 ( 1.272 2.584 -0.018) 2.880 6.126 ( 0.602 2.750 -0.946) 2.970 6.194 ( 1.837 -0.255 -0.195) 1.865 6.213 ( 0.295 1.903 0.742) 2.064 6.250 ( 1.993 4.767 -0.802) 5.229 6.303 ( 2.141 1.993 1.389) 3.238 6.364 ( 0.471 0.772 0.534) 1.050 6.417 ( -0.888 -0.148 0.182) 0.919 6.447 ( -1.921 -0.839 -0.309) 2.119 6.499 ( -0.653 -3.944 -0.493) 4.028 6.618 ( -2.071 1.607 0.481) 2.665 6.705 ( 0.188 -0.929 -1.406) 1.696 6.759 ( -1.998 3.054 -0.242) 3.658 6.912 ( -0.121 1.870 0.406) 1.917 6.981 ( 0.851 -0.697 -0.034) 1.100 7.061 ( -2.634 -3.367 0.566) 4.312 7.094 ( -1.634 3.007 -0.018) 3.423 7.129 ( 0.429 4.648 0.442) 4.689 7.233 ( -3.784 1.448 -0.699) 4.111 7.242 ( -1.922 3.919 -0.113) 4.367 7.366 ( -1.048 2.904 -1.272) 3.340 7.419 ( -1.387 3.024 3.609) 4.908 7.510 ( -0.118 1.407 -0.815) 1.630 7.546 ( -1.435 -0.765 -4.051) 4.366 7.583 ( -5.273 2.590 2.890) 6.547 7.749 ( 1.379 -2.272 0.657) 2.738 7.923 ( 0.336 3.124 -1.055) 3.315 7.979 ( -2.309 0.567 -0.242) 2.390 8.006 ( 4.005 2.672 -0.266) 4.821 8.113 ( -0.156 -0.356 1.385) 1.439 8.137 ( 4.346 -2.459 0.257) 5.000 8.202 ( 1.024 -1.341 -1.310) 2.136 8.234 ( -0.805 2.203 -0.248) 2.358 8.277 ( -0.541 1.709 0.654) 1.908 8.400 ( 0.650 2.149 -0.785) 2.378 8.455 ( 1.203 0.015 1.362) 1.817 8.531 ( -4.016 -0.040 1.364) 4.241 8.551 ( -2.008 -1.119 -1.506) 2.748 8.700 ( 2.104 5.880 -0.501) 6.265 8.879 ( -0.594 4.844 0.056) 4.881 8.910 ( 0.193 3.341 0.274) 3.358 9.051 ( 0.760 2.213 -0.131) 2.343 9.123 ( 0.765 4.962 -0.110) 5.022 9.160 ( -0.087 4.320 0.327) 4.333 9.206 ( -0.396 3.738 -0.372) 3.777 9.255 ( -1.332 -4.706 0.058) 4.892 9.358 ( 2.798 1.810 0.087) 3.333 9.559 ( -1.808 4.300 -0.070) 4.665 9.584 ( -2.522 1.897 0.213) 3.163 9.599 ( 0.668 -3.773 -0.118) 3.834 9.779 ( 1.043 2.823 -0.011) 3.010 9.862 ( 0.026 -1.237 -0.038) 1.238 9.897 ( 0.190 0.312 -0.046) 0.368 9.910 ( 1.215 -0.593 0.121) 1.358 9.942 ( 0.460 -1.999 -0.094) 2.053 9.989 ( 0.406 -1.289 0.061) 1.352 10.129 ( -0.072 -2.197 -0.008) 2.198 10.159 ( 0.223 -2.651 -0.004) 2.661 ======================= Grid point 98 (39/42) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -1.196 4.348 -0.667) 4.559 1.663 ( -0.874 4.915 0.574) 5.025 1.711 ( -0.749 4.378 -0.274) 4.450 1.751 ( -1.144 0.259 0.589) 1.313 1.799 ( -1.008 4.062 -0.238) 4.192 1.816 ( -0.646 0.409 0.853) 1.146 1.823 ( -2.717 4.566 -0.127) 5.315 1.926 ( -0.583 3.139 0.508) 3.233 1.962 ( -0.651 0.674 -1.755) 1.990 2.021 ( 0.733 2.944 -0.187) 3.040 2.057 ( 1.696 1.087 0.165) 2.022 2.100 ( 0.140 0.390 -0.205) 0.462 2.169 ( 0.751 -3.368 2.685) 4.372 2.176 ( -0.294 1.596 0.532) 1.708 2.204 ( -2.315 2.861 -0.710) 3.748 2.213 ( -2.789 -1.609 -2.004) 3.792 2.287 ( -0.951 4.557 -0.698) 4.708 2.313 ( -2.910 5.844 0.102) 6.529 2.409 ( -0.892 1.557 1.026) 2.068 2.439 ( 0.396 1.476 0.079) 1.531 2.482 ( 0.394 -1.963 -1.042) 2.257 2.506 ( -1.430 -1.426 2.565) 3.265 2.564 ( -0.063 1.863 -1.397) 2.330 2.633 ( 0.188 -3.759 -0.729) 3.833 2.650 ( -0.444 4.064 0.185) 4.092 2.661 ( 1.016 3.737 -0.309) 3.885 2.759 ( 2.412 -6.280 1.689) 6.936 2.896 ( 0.103 -1.623 -3.365) 3.737 2.962 ( 6.882 -6.840 3.271) 10.239 3.014 ( 2.652 -2.988 -2.576) 4.754 3.115 ( 2.302 -6.288 -1.206) 6.803 3.123 ( 1.210 -2.068 2.293) 3.316 3.178 ( 2.839 -4.358 0.724) 5.251 3.243 ( 0.732 3.686 0.241) 3.766 3.285 ( 0.988 -1.766 -0.097) 2.026 3.343 ( -0.815 -2.259 -0.442) 2.442 3.589 ( -1.656 3.326 0.348) 3.732 3.624 ( -1.802 2.416 -0.527) 3.059 3.762 ( -4.336 3.487 0.313) 5.573 3.832 ( -2.620 1.925 -0.158) 3.255 3.962 ( 0.735 11.724 -0.139) 11.748 3.995 ( 0.410 10.096 0.014) 10.104 4.262 ( 0.975 3.380 0.288) 3.530 4.277 ( 0.154 1.022 0.214) 1.055 4.329 ( -1.037 8.125 -0.361) 8.199 4.432 ( -2.490 11.237 -0.147) 11.510 4.505 ( 3.730 10.453 -0.102) 11.099 4.575 ( 1.240 8.045 0.430) 8.151 4.602 ( -0.951 9.738 -0.185) 9.786 4.628 ( -1.327 7.421 -0.050) 7.539 5.392 ( -1.378 0.732 -0.604) 1.674 5.427 ( -1.794 -0.682 0.652) 2.027 5.621 ( 1.233 5.029 -0.601) 5.213 5.635 ( 0.392 1.791 0.855) 2.023 5.683 ( 0.892 3.245 0.318) 3.380 5.714 ( -0.097 2.668 -0.820) 2.793 5.771 ( 2.396 3.687 0.688) 4.451 5.826 ( 0.573 2.025 -0.492) 2.161 5.834 ( 0.238 6.645 -0.023) 6.649 5.922 ( 1.104 2.849 0.283) 3.069 6.014 ( 0.989 3.794 -0.060) 3.921 6.077 ( 3.945 1.491 0.701) 4.275 6.085 ( 0.782 2.870 -1.007) 3.140 6.149 ( 0.888 1.718 -0.579) 2.019 6.204 ( 0.372 3.096 -1.217) 3.347 6.243 ( 0.962 2.437 1.605) 3.073 6.288 ( 3.093 0.455 0.448) 3.159 6.328 ( 0.385 -4.989 0.379) 5.018 6.361 ( -2.177 -0.680 -0.222) 2.291 6.400 ( -0.291 0.159 0.359) 0.489 6.434 ( 0.841 -0.279 -0.344) 0.951 6.485 ( -0.998 -2.369 -0.338) 2.593 6.569 ( -2.056 1.451 0.534) 2.573 6.693 ( -1.281 1.595 -0.251) 2.061 6.751 ( 1.205 -0.868 -0.765) 1.670 6.888 ( -2.173 0.819 0.499) 2.375 6.984 ( -0.374 -2.152 0.092) 2.186 7.046 ( 2.030 1.989 0.292) 2.857 7.077 ( -0.203 2.180 -0.501) 2.246 7.127 ( -3.319 4.201 -0.338) 5.364 7.150 ( -1.739 1.064 -0.026) 2.038 7.206 ( -1.469 2.453 -0.165) 2.864 7.359 ( 0.205 1.990 0.367) 2.034 7.397 ( -0.261 2.472 1.442) 2.874 7.457 ( -4.508 0.777 -0.523) 4.605 7.513 ( 0.061 2.790 -0.734) 2.886 7.552 ( -0.334 0.436 0.183) 0.579 7.766 ( 0.339 -2.729 0.316) 2.768 7.935 ( 0.576 2.798 -0.184) 2.863 7.958 ( -0.084 3.712 -0.657) 3.771 8.061 ( 0.976 2.955 0.072) 3.113 8.144 ( 3.692 0.335 0.182) 3.712 8.187 ( 1.036 -0.856 0.518) 1.440 8.200 ( -0.518 1.809 0.531) 1.955 8.247 ( -0.007 2.487 -1.123) 2.729 8.271 ( 0.729 2.548 -0.207) 2.659 8.372 ( -2.599 0.498 -0.415) 2.679 8.409 ( -4.134 -0.374 0.949) 4.258 8.507 ( 0.462 0.361 0.741) 0.945 8.547 ( 0.980 -1.864 -0.605) 2.191 8.733 ( 1.138 4.370 -0.340) 4.529 8.871 ( -0.216 5.343 0.003) 5.347 8.914 ( 0.099 3.133 0.162) 3.139 9.065 ( 0.500 1.764 0.045) 1.835 9.139 ( 0.775 3.890 -0.269) 3.976 9.162 ( 0.259 3.679 0.436) 3.714 9.194 ( -0.721 3.431 -0.376) 3.526 9.240 ( -0.367 -4.916 0.108) 4.931 9.397 ( 1.197 1.835 0.019) 2.191 9.527 ( -1.153 4.189 -0.100) 4.346 9.537 ( -1.779 2.930 0.115) 3.430 9.613 ( 0.507 -4.884 0.000) 4.910 9.798 ( 0.722 2.514 -0.025) 2.616 9.858 ( -0.228 -0.818 0.013) 0.849 9.905 ( 0.407 0.151 -0.035) 0.435 9.935 ( 1.137 -0.758 0.230) 1.386 9.947 ( -0.089 -1.285 -0.230) 1.308 9.993 ( -0.007 -0.662 0.041) 0.663 10.129 ( -0.019 -2.324 -0.005) 2.324 10.162 ( 0.098 -2.678 -0.002) 2.680 ======================= Grid point 101 (40/42) ======================= q-point: ( 0.00 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -0.000 -0.719 -0.000) 0.719 1.729 ( 0.000 0.585 0.000) 0.585 1.760 ( -0.000 1.400 -0.000) 1.400 1.772 ( 0.000 0.432 0.000) 0.432 1.827 ( 0.000 -0.240 0.000) 0.240 1.861 ( -0.000 -2.144 0.000) 2.144 1.954 ( 0.000 0.410 0.000) 0.410 1.959 ( -0.000 -0.456 0.000) 0.456 1.985 ( -0.000 -2.371 -0.000) 2.371 1.992 ( 0.000 -3.126 0.000) 3.126 2.102 ( -0.000 5.001 -0.000) 5.001 2.106 ( 0.000 5.227 0.000) 5.227 2.181 ( 0.000 -2.239 0.000) 2.239 2.194 ( 0.000 -3.015 0.000) 3.015 2.303 ( 0.000 5.477 0.000) 5.477 2.368 ( 0.000 -0.103 0.000) 0.103 2.370 ( -0.000 0.162 0.000) 0.162 2.406 ( 0.000 -4.301 0.000) 4.301 2.433 ( 0.000 3.294 0.000) 3.294 2.460 ( -0.000 -0.770 0.000) 0.770 2.489 ( -0.000 1.038 0.000) 1.038 2.522 ( 0.000 -2.980 0.000) 2.980 2.592 ( 0.000 1.380 -0.000) 1.380 2.621 ( -0.000 0.118 0.000) 0.118 2.644 ( 0.000 -1.846 0.000) 1.846 2.649 ( 0.000 1.107 0.000) 1.107 2.731 ( 0.000 -1.603 0.000) 1.603 2.751 ( -0.000 -1.505 0.000) 1.505 2.803 ( 0.000 1.156 0.000) 1.156 2.825 ( -0.000 -0.174 0.000) 0.174 2.863 ( -0.000 2.701 0.000) 2.701 2.961 ( 0.000 0.306 0.000) 0.306 3.039 ( 0.000 -7.283 0.000) 7.283 3.070 ( -0.000 -4.762 -0.000) 4.762 3.313 ( 0.000 1.923 0.000) 1.923 3.326 ( 0.000 0.330 0.000) 0.330 3.712 ( 0.000 0.954 0.000) 0.954 3.715 ( 0.000 1.047 0.000) 1.047 3.878 ( 0.000 3.275 0.000) 3.275 3.913 ( 0.000 -0.283 0.000) 0.283 4.214 ( 0.000 3.605 0.000) 3.605 4.225 ( 0.000 2.227 0.000) 2.227 4.355 ( 0.000 2.658 0.000) 2.658 4.361 ( 0.000 1.910 0.000) 1.910 4.517 ( 0.000 4.755 0.000) 4.755 4.521 ( -0.000 4.413 0.000) 4.413 4.579 ( -0.000 2.935 -0.000) 2.935 4.581 ( 0.000 3.039 0.000) 3.039 4.761 ( 0.000 3.644 0.000) 3.644 4.773 ( 0.000 2.512 0.000) 2.512 5.528 ( -0.000 0.835 0.000) 0.835 5.536 ( -0.000 0.005 0.000) 0.005 5.563 ( 0.000 -0.007 0.000) 0.007 5.575 ( 0.000 -0.930 0.000) 0.930 5.709 ( 0.000 2.937 0.000) 2.937 5.737 ( 0.000 0.173 0.000) 0.173 5.802 ( -0.000 4.009 0.000) 4.009 5.812 ( 0.000 4.994 0.000) 4.994 5.874 ( -0.000 -0.607 0.000) 0.607 5.914 ( 0.000 -2.963 0.000) 2.963 5.936 ( -0.000 2.627 0.000) 2.627 5.953 ( -0.000 1.196 0.000) 1.196 6.099 ( 0.000 2.684 0.000) 2.684 6.147 ( 0.000 -1.293 0.000) 1.293 6.182 ( 0.000 0.978 0.000) 0.978 6.215 ( 0.000 -1.353 0.000) 1.353 6.301 ( 0.000 1.781 0.000) 1.781 6.328 ( 0.000 -0.987 0.000) 0.987 6.386 ( -0.000 1.537 0.000) 1.537 6.393 ( 0.000 0.554 -0.000) 0.554 6.465 ( -0.000 -0.166 0.000) 0.166 6.473 ( 0.000 -0.330 0.000) 0.330 6.661 ( 0.000 0.839 0.000) 0.839 6.679 ( 0.000 -1.091 0.000) 1.091 6.858 ( 0.000 4.112 0.000) 4.112 6.937 ( 0.000 -0.299 0.000) 0.299 6.957 ( 0.000 -0.516 0.000) 0.516 6.973 ( 0.000 -5.003 0.000) 5.003 7.194 ( 0.000 3.094 0.000) 3.094 7.201 ( -0.000 2.922 -0.000) 2.922 7.290 ( -0.000 -0.311 -0.000) 0.311 7.297 ( 0.000 -0.497 0.000) 0.497 7.464 ( 0.000 2.287 0.000) 2.287 7.467 ( -0.000 4.103 -0.000) 4.103 7.504 ( 0.000 -1.489 0.000) 1.489 7.535 ( 0.000 -2.365 -0.000) 2.365 7.691 ( 0.000 0.923 0.000) 0.923 7.701 ( -0.000 -0.418 0.000) 0.418 7.973 ( 0.000 1.493 0.000) 1.493 7.983 ( -0.000 0.046 0.000) 0.046 8.034 ( -0.000 -0.063 0.000) 0.063 8.036 ( 0.000 0.489 0.000) 0.489 8.104 ( 0.000 -0.032 0.000) 0.032 8.139 ( 0.000 -2.753 0.000) 2.753 8.272 ( 0.000 0.327 0.000) 0.327 8.273 ( -0.000 0.391 0.000) 0.391 8.416 ( 0.000 0.849 0.000) 0.849 8.426 ( 0.000 -0.284 0.000) 0.284 8.582 ( 0.000 1.012 0.000) 1.012 8.593 ( 0.000 -0.083 0.000) 0.083 8.830 ( 0.000 7.993 0.000) 7.993 8.950 ( -0.000 1.208 0.000) 1.208 8.958 ( 0.000 1.333 0.000) 1.333 8.989 ( -0.000 -6.366 0.000) 6.366 9.204 ( 0.000 2.954 0.000) 2.954 9.223 ( 0.000 2.073 0.000) 2.073 9.238 ( 0.000 -0.069 0.000) 0.069 9.252 ( 0.000 0.213 0.000) 0.213 9.397 ( -0.000 4.630 0.000) 4.630 9.492 ( 0.000 -4.804 0.000) 4.804 9.638 ( 0.000 1.317 0.000) 1.317 9.643 ( -0.000 0.630 0.000) 0.630 9.822 ( -0.000 2.181 0.000) 2.181 9.848 ( 0.000 -0.564 0.000) 0.564 9.889 ( 0.000 -0.098 0.000) 0.098 9.900 ( 0.000 -1.323 0.000) 1.323 9.910 ( -0.000 1.206 0.000) 1.206 9.944 ( 0.000 -2.058 0.000) 2.058 10.108 ( 0.000 -0.195 0.000) 0.195 10.119 ( -0.000 -1.178 0.000) 1.178 ======================= Grid point 103 (41/42) ======================= q-point: ( 0.20 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( -1.318 -0.375 0.941) 1.662 1.715 ( -1.677 -1.297 -1.210) 2.441 1.743 ( -0.092 3.088 -0.320) 3.106 1.789 ( 0.176 0.799 0.590) 1.009 1.827 ( -0.131 0.811 0.122) 0.831 1.855 ( -0.850 -3.395 0.106) 3.501 1.909 ( -1.823 1.791 0.261) 2.569 1.940 ( -1.719 -1.270 -0.191) 2.146 1.992 ( 0.034 -0.191 -0.966) 0.986 2.023 ( 1.659 -2.964 0.120) 3.399 2.102 ( -0.265 3.460 -2.408) 4.224 2.108 ( -1.194 3.723 2.486) 4.633 2.136 ( -0.928 1.480 0.177) 1.756 2.192 ( -1.439 -2.850 1.416) 3.493 2.285 ( -3.438 1.996 -1.378) 4.207 2.309 ( -3.624 0.874 -0.247) 3.736 2.383 ( 1.007 0.184 -1.079) 1.487 2.404 ( -2.598 1.147 1.464) 3.195 2.423 ( 0.971 -1.295 -1.050) 1.930 2.425 ( -1.932 -1.842 -0.206) 2.677 2.472 ( -3.043 -2.617 2.458) 4.707 2.478 ( -3.890 -0.595 0.763) 4.009 2.579 ( -0.097 1.605 -0.499) 1.683 2.614 ( -0.089 0.701 -0.971) 1.201 2.629 ( 2.106 -0.300 -0.127) 2.131 2.684 ( 2.815 -3.407 -0.616) 4.462 2.759 ( -1.193 4.845 0.040) 4.990 2.794 ( 3.958 1.075 1.309) 4.305 2.847 ( 6.174 3.374 1.481) 7.190 2.866 ( 3.775 -2.590 -2.267) 5.109 2.950 ( 7.899 -4.550 2.432) 9.435 2.979 ( -1.303 -6.130 -6.610) 9.109 3.053 ( 5.392 2.720 1.570) 6.239 3.152 ( 4.184 -6.135 2.946) 7.989 3.311 ( -0.214 1.949 -0.042) 1.962 3.327 ( 0.133 0.103 0.408) 0.442 3.677 ( -2.737 1.342 -1.136) 3.253 3.688 ( -2.289 0.466 -1.069) 2.569 3.883 ( -0.851 2.694 0.974) 2.989 3.910 ( -1.540 -0.110 0.970) 1.823 4.172 ( -3.807 4.613 -0.612) 6.013 4.181 ( -4.132 3.546 -0.432) 5.462 4.301 ( -3.009 0.788 0.045) 3.111 4.306 ( -2.915 0.249 0.082) 2.927 4.502 ( -0.553 6.066 0.006) 6.091 4.545 ( 0.526 1.849 -0.152) 1.928 4.620 ( 3.583 4.875 0.152) 6.051 4.642 ( 4.066 2.650 0.891) 4.935 4.760 ( -0.284 3.889 -0.281) 3.909 4.768 ( -0.471 3.164 -0.376) 3.221 5.470 ( -4.473 0.851 -0.209) 4.558 5.480 ( -4.375 -0.195 0.182) 4.384 5.608 ( 3.606 -0.163 0.315) 3.624 5.608 ( 3.442 -0.188 -0.379) 3.468 5.737 ( 0.260 2.599 0.134) 2.616 5.758 ( 3.289 1.208 0.476) 3.536 5.815 ( 1.557 5.499 -1.384) 5.880 5.864 ( 2.674 5.131 0.755) 5.835 5.916 ( 5.265 -3.281 -0.303) 6.211 5.939 ( 0.550 2.617 -0.246) 2.686 5.940 ( 1.544 0.197 0.583) 1.662 5.981 ( 3.785 -1.805 0.709) 4.253 6.097 ( 0.244 2.791 -0.167) 2.807 6.150 ( 0.505 -1.150 -1.498) 1.955 6.189 ( 0.226 0.298 -0.085) 0.383 6.210 ( -0.296 -1.537 0.345) 1.603 6.321 ( 1.653 2.296 -0.124) 2.832 6.359 ( 2.257 -0.371 1.219) 2.591 6.367 ( -2.669 0.619 1.583) 3.164 6.384 ( -0.036 -0.470 -0.839) 0.962 6.440 ( -1.613 0.282 0.089) 1.640 6.457 ( -1.684 -1.029 0.354) 2.005 6.652 ( -1.210 1.945 -0.870) 2.451 6.688 ( 1.046 -1.265 -1.575) 2.275 6.829 ( -2.889 4.628 0.131) 5.457 6.922 ( -1.930 -2.261 0.522) 3.018 6.960 ( 0.088 -0.693 0.000) 0.699 6.976 ( 0.862 -3.233 0.084) 3.347 7.158 ( -2.527 3.020 0.194) 3.943 7.192 ( -1.785 0.510 0.220) 1.869 7.255 ( -2.593 1.535 0.104) 3.015 7.280 ( -1.985 -0.132 0.311) 2.014 7.425 ( -2.059 3.090 -2.221) 4.327 7.477 ( -1.981 1.252 1.463) 2.763 7.491 ( -0.665 -1.016 -0.491) 1.310 7.528 ( -1.007 -1.457 0.604) 1.871 7.644 ( -2.978 3.114 0.220) 4.314 7.701 ( -0.207 -2.615 0.000) 2.623 7.980 ( 1.247 2.773 -0.085) 3.041 8.018 ( -0.111 1.724 -0.251) 1.746 8.031 ( 4.143 0.176 -0.208) 4.152 8.082 ( 1.021 -2.642 0.374) 2.857 8.114 ( 3.171 1.097 0.255) 3.365 8.157 ( 2.222 -2.580 -1.053) 3.564 8.279 ( 0.920 1.723 0.580) 2.038 8.295 ( 0.815 0.103 0.723) 1.094 8.442 ( 2.256 1.409 -0.517) 2.710 8.456 ( 2.908 -0.171 0.016) 2.913 8.532 ( -5.123 0.291 0.442) 5.150 8.538 ( -5.053 -0.338 -0.428) 5.082 8.838 ( 0.719 7.517 -0.095) 7.552 8.947 ( -0.185 1.385 0.138) 1.404 8.958 ( -0.017 1.193 0.215) 1.212 8.993 ( 0.427 -6.323 -0.294) 6.344 9.198 ( -0.553 2.308 0.007) 2.374 9.215 ( -1.539 0.362 -0.143) 1.587 9.228 ( 0.147 2.095 0.055) 2.101 9.249 ( -0.277 0.379 0.080) 0.476 9.419 ( 1.871 3.801 0.019) 4.236 9.503 ( 0.939 -4.485 -0.007) 4.583 9.614 ( -2.265 1.111 0.018) 2.522 9.618 ( -2.407 0.685 -0.020) 2.503 9.827 ( 0.538 1.749 0.060) 1.831 9.847 ( 0.023 -0.529 -0.040) 0.531 9.902 ( 1.231 -0.090 -0.009) 1.235 9.911 ( 1.023 -1.022 0.004) 1.446 9.917 ( 0.700 1.619 -0.026) 1.764 9.957 ( 0.961 -2.009 0.012) 2.227 10.107 ( -0.134 -0.110 -0.000) 0.173 10.120 ( 0.090 -1.312 0.001) 1.315 ======================= Grid point 104 (42/42) ======================= q-point: ( 0.40 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( -0.721 -0.238 -0.661) 1.006 1.693 ( -0.803 1.130 0.655) 1.533 1.739 ( -0.237 0.672 0.024) 0.713 1.776 ( -1.018 0.289 0.020) 1.059 1.814 ( -0.631 2.879 0.151) 2.951 1.854 ( 0.394 -0.661 0.164) 0.786 1.897 ( 0.264 0.295 0.163) 0.429 1.915 ( -1.146 -1.779 -0.180) 2.124 1.965 ( -1.677 3.437 -0.791) 3.905 2.047 ( 0.956 -3.294 -0.433) 3.458 2.091 ( 0.273 0.395 0.606) 0.773 2.100 ( -0.507 0.775 -0.248) 0.959 2.141 ( 0.074 1.303 0.792) 1.526 2.162 ( -1.079 0.539 0.538) 1.321 2.213 ( -2.681 1.626 -1.401) 3.435 2.255 ( -1.530 -0.672 0.363) 1.710 2.363 ( -0.888 1.907 0.864) 2.274 2.377 ( -1.718 0.860 -0.813) 2.086 2.416 ( 0.173 -2.949 -0.372) 2.977 2.423 ( -0.520 -0.148 -0.265) 0.602 2.442 ( 0.964 -0.484 0.738) 1.307 2.457 ( -0.685 -1.767 1.248) 2.269 2.582 ( 0.384 1.077 -0.572) 1.278 2.605 ( -0.473 -0.142 -0.159) 0.519 2.672 ( 1.509 -0.297 -0.569) 1.640 2.706 ( -0.180 -1.044 1.355) 1.720 2.761 ( 0.907 5.125 -1.303) 5.366 2.848 ( 1.253 -3.279 -0.608) 3.562 2.907 ( 2.283 1.049 -1.110) 2.746 2.983 ( 2.356 -3.927 -3.208) 5.592 2.990 ( 3.959 0.537 3.326) 5.199 3.067 ( 3.532 -3.827 2.584) 5.813 3.130 ( 2.453 0.521 -0.105) 2.509 3.198 ( 0.883 -5.254 -0.651) 5.367 3.307 ( -0.198 2.064 -0.063) 2.074 3.329 ( -0.096 -0.400 0.218) 0.465 3.639 ( -0.962 1.635 0.030) 1.897 3.651 ( -1.020 0.398 -0.481) 1.196 3.823 ( -4.159 2.350 0.199) 4.781 3.849 ( -3.473 -0.216 -0.081) 3.480 4.126 ( -0.625 4.245 -0.064) 4.291 4.133 ( -0.897 3.402 -0.004) 3.519 4.270 ( -0.619 0.387 0.117) 0.740 4.280 ( -0.331 -0.395 -0.017) 0.516 4.501 ( 0.256 6.005 -0.087) 6.011 4.550 ( 0.085 1.156 -0.135) 1.167 4.668 ( 1.539 5.031 0.300) 5.270 4.686 ( 0.172 3.061 0.409) 3.093 4.753 ( -0.010 4.410 -0.252) 4.417 4.761 ( -0.083 3.692 -0.259) 3.702 5.405 ( -1.939 0.553 -0.256) 2.032 5.415 ( -2.077 -0.518 0.220) 2.152 5.663 ( 1.743 0.981 -0.202) 2.010 5.668 ( 2.039 0.466 0.022) 2.092 5.756 ( 1.413 3.853 0.551) 4.141 5.802 ( 0.858 1.264 -0.190) 1.539 5.837 ( 1.404 4.127 0.562) 4.395 5.875 ( -0.809 2.499 -0.992) 2.808 5.951 ( 0.414 4.130 0.150) 4.153 5.965 ( 1.461 1.308 0.257) 1.977 6.048 ( 5.948 -2.352 -0.309) 6.404 6.066 ( 3.970 -0.996 0.771) 4.165 6.100 ( 0.116 0.684 0.147) 0.709 6.144 ( -1.254 -1.789 -0.709) 2.297 6.204 ( 1.853 -1.745 -0.578) 2.610 6.207 ( -0.426 -1.847 -0.178) 1.904 6.298 ( -3.467 1.984 0.404) 4.015 6.325 ( -1.512 0.485 -0.069) 1.589 6.378 ( -0.194 1.276 0.651) 1.446 6.400 ( 0.998 -0.903 0.226) 1.365 6.436 ( 0.879 0.360 -0.075) 0.953 6.443 ( 0.278 -1.050 0.210) 1.106 6.617 ( -1.597 3.378 -0.101) 3.738 6.695 ( -0.435 -4.001 -0.609) 4.070 6.776 ( -1.836 6.127 -0.045) 6.397 6.880 ( -1.819 -2.507 0.130) 3.100 6.964 ( 0.221 0.063 0.037) 0.233 6.997 ( 0.879 -3.809 0.146) 3.912 7.132 ( 0.048 2.536 -0.164) 2.542 7.160 ( -0.833 -0.194 -0.334) 0.918 7.212 ( -1.762 2.943 -0.102) 3.432 7.237 ( -2.148 0.300 -0.028) 2.168 7.391 ( -0.778 1.539 0.011) 1.724 7.420 ( -3.263 -0.762 -0.110) 3.352 7.468 ( -1.142 1.532 0.557) 1.990 7.505 ( -0.927 -1.780 0.368) 2.040 7.625 ( 0.274 4.428 -0.192) 4.441 7.704 ( 0.281 -3.489 -0.002) 3.500 7.999 ( 0.353 3.135 0.184) 3.160 8.019 ( 0.297 1.607 -0.346) 1.671 8.096 ( 1.183 0.630 -0.596) 1.467 8.115 ( 3.180 -1.824 -0.015) 3.666 8.191 ( 4.127 0.811 0.678) 4.260 8.208 ( 2.719 -0.582 0.280) 2.794 8.295 ( 0.611 1.687 -0.504) 1.863 8.305 ( 0.802 0.676 -0.169) 1.062 8.398 ( -5.672 1.334 0.142) 5.828 8.410 ( -6.252 0.046 0.441) 6.268 8.507 ( 1.763 0.062 0.095) 1.766 8.518 ( 1.659 -1.025 -0.309) 1.975 8.849 ( 0.344 6.759 -0.078) 6.768 8.947 ( 0.220 1.887 -0.118) 1.903 8.956 ( -0.277 0.660 0.293) 0.774 8.999 ( 0.205 -6.324 -0.133) 6.329 9.188 ( -0.569 1.096 0.101) 1.239 9.192 ( -0.434 0.948 -0.113) 1.048 9.235 ( 0.414 1.682 0.031) 1.733 9.243 ( -0.367 0.964 -0.024) 1.032 9.447 ( 0.873 2.985 0.014) 3.110 9.517 ( 0.384 -3.898 -0.008) 3.917 9.575 ( -1.439 0.846 0.085) 1.672 9.576 ( -1.403 0.599 -0.082) 1.528 9.838 ( 0.477 1.250 0.040) 1.339 9.850 ( 0.153 -0.227 -0.030) 0.275 9.922 ( 0.598 0.571 -0.050) 0.828 9.927 ( 0.546 0.002 0.137) 0.563 9.930 ( 0.504 0.585 -0.101) 0.778 9.970 ( 0.355 -1.875 0.003) 1.909 10.105 ( -0.074 -0.023 -0.000) 0.077 10.121 ( 0.030 -1.485 0.001) 1.485 =================== 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 3/15600 10.0 170.495 192.942 8.735 0.000 4.551 0.000 3/15600 20.0 41.855 66.761 4.401 0.000 0.577 0.000 3/15600 30.0 20.883 38.815 2.909 0.000 0.016 0.000 3/15600 40.0 13.251 26.022 2.049 0.000 -0.077 0.000 3/15600 50.0 9.378 18.761 1.513 0.000 -0.082 0.000 3/15600 60.0 7.093 14.283 1.167 0.000 -0.071 0.000 3/15600 70.0 5.627 11.360 0.936 0.000 -0.060 0.000 3/15600 80.0 4.628 9.358 0.776 0.000 -0.051 0.000 3/15600 90.0 3.915 7.928 0.660 0.000 -0.043 0.000 3/15600 100.0 3.386 6.867 0.573 0.000 -0.038 0.000 3/15600 110.0 2.981 6.054 0.506 0.000 -0.033 0.000 3/15600 120.0 2.662 5.415 0.454 0.000 -0.030 0.000 3/15600 130.0 2.405 4.900 0.411 0.000 -0.027 0.000 3/15600 140.0 2.194 4.476 0.376 0.000 -0.025 0.000 3/15600 150.0 2.018 4.122 0.346 0.000 -0.023 0.000 3/15600 160.0 1.869 3.822 0.321 0.000 -0.021 0.000 3/15600 170.0 1.740 3.563 0.300 0.000 -0.020 0.000 3/15600 180.0 1.629 3.339 0.281 0.000 -0.018 0.000 3/15600 190.0 1.531 3.142 0.264 0.000 -0.017 0.000 3/15600 200.0 1.445 2.968 0.250 0.000 -0.016 0.000 3/15600 210.0 1.368 2.813 0.237 0.000 -0.015 0.000 3/15600 220.0 1.300 2.673 0.225 0.000 -0.015 0.000 3/15600 230.0 1.237 2.548 0.214 0.000 -0.014 0.000 3/15600 240.0 1.181 2.433 0.205 0.000 -0.013 0.000 3/15600 250.0 1.130 2.329 0.196 0.000 -0.013 0.000 3/15600 260.0 1.083 2.234 0.188 0.000 -0.012 0.000 3/15600 270.0 1.040 2.147 0.181 0.000 -0.012 0.000 3/15600 280.0 1.001 2.066 0.174 0.000 -0.011 0.000 3/15600 290.0 0.964 1.991 0.168 0.000 -0.011 0.000 3/15600 300.0 0.930 1.921 0.162 0.000 -0.010 0.000 3/15600 310.0 0.898 1.857 0.156 0.000 -0.010 0.000 3/15600 320.0 0.869 1.796 0.151 0.000 -0.010 0.000 3/15600 330.0 0.841 1.740 0.146 0.000 -0.009 0.000 3/15600 340.0 0.815 1.687 0.142 0.000 -0.009 0.000 3/15600 350.0 0.791 1.637 0.138 0.000 -0.009 0.000 3/15600 360.0 0.768 1.590 0.134 0.000 -0.009 0.000 3/15600 370.0 0.746 1.546 0.130 0.000 -0.008 0.000 3/15600 380.0 0.726 1.504 0.127 0.000 -0.008 0.000 3/15600 390.0 0.707 1.464 0.123 0.000 -0.008 0.000 3/15600 400.0 0.689 1.427 0.120 0.000 -0.008 0.000 3/15600 410.0 0.671 1.391 0.117 0.000 -0.008 0.000 3/15600 420.0 0.655 1.357 0.114 0.000 -0.007 0.000 3/15600 430.0 0.639 1.325 0.111 0.000 -0.007 0.000 3/15600 440.0 0.624 1.294 0.109 0.000 -0.007 0.000 3/15600 450.0 0.610 1.265 0.106 0.000 -0.007 0.000 3/15600 460.0 0.596 1.237 0.104 0.000 -0.007 0.000 3/15600 470.0 0.583 1.210 0.102 0.000 -0.007 0.000 3/15600 480.0 0.571 1.185 0.100 0.000 -0.006 0.000 3/15600 490.0 0.559 1.160 0.098 0.000 -0.006 0.000 3/15600 500.0 0.548 1.136 0.096 0.000 -0.006 0.000 3/15600 510.0 0.537 1.114 0.094 0.000 -0.006 0.000 3/15600 520.0 0.526 1.092 0.092 0.000 -0.006 0.000 3/15600 530.0 0.516 1.071 0.090 0.000 -0.006 0.000 3/15600 540.0 0.506 1.051 0.088 0.000 -0.006 0.000 3/15600 550.0 0.497 1.032 0.087 0.000 -0.006 0.000 3/15600 560.0 0.488 1.013 0.085 0.000 -0.005 0.000 3/15600 570.0 0.479 0.995 0.084 0.000 -0.005 0.000 3/15600 580.0 0.471 0.978 0.082 0.000 -0.005 0.000 3/15600 590.0 0.463 0.961 0.081 0.000 -0.005 0.000 3/15600 600.0 0.455 0.945 0.079 0.000 -0.005 0.000 3/15600 610.0 0.447 0.929 0.078 0.000 -0.005 0.000 3/15600 620.0 0.440 0.914 0.077 0.000 -0.005 0.000 3/15600 630.0 0.433 0.899 0.076 0.000 -0.005 0.000 3/15600 640.0 0.426 0.885 0.074 0.000 -0.005 0.000 3/15600 650.0 0.419 0.872 0.073 0.000 -0.005 0.000 3/15600 660.0 0.413 0.858 0.072 0.000 -0.005 0.000 3/15600 670.0 0.407 0.845 0.071 0.000 -0.005 0.000 3/15600 680.0 0.401 0.833 0.070 0.000 -0.004 0.000 3/15600 690.0 0.395 0.821 0.069 0.000 -0.004 0.000 3/15600 700.0 0.389 0.809 0.068 0.000 -0.004 0.000 3/15600 710.0 0.384 0.797 0.067 0.000 -0.004 0.000 3/15600 720.0 0.378 0.786 0.066 0.000 -0.004 0.000 3/15600 730.0 0.373 0.775 0.065 0.000 -0.004 0.000 3/15600 740.0 0.368 0.765 0.064 0.000 -0.004 0.000 3/15600 750.0 0.363 0.755 0.063 0.000 -0.004 0.000 3/15600 760.0 0.358 0.745 0.063 0.000 -0.004 0.000 3/15600 770.0 0.353 0.735 0.062 0.000 -0.004 0.000 3/15600 780.0 0.349 0.725 0.061 0.000 -0.004 0.000 3/15600 790.0 0.344 0.716 0.060 0.000 -0.004 0.000 3/15600 800.0 0.340 0.707 0.059 0.000 -0.004 0.000 3/15600 810.0 0.336 0.698 0.059 0.000 -0.004 0.000 3/15600 820.0 0.332 0.690 0.058 0.000 -0.004 0.000 3/15600 830.0 0.328 0.682 0.057 0.000 -0.004 0.000 3/15600 840.0 0.324 0.673 0.057 0.000 -0.004 0.000 3/15600 850.0 0.320 0.665 0.056 0.000 -0.004 0.000 3/15600 860.0 0.316 0.658 0.055 0.000 -0.004 0.000 3/15600 870.0 0.313 0.650 0.055 0.000 -0.003 0.000 3/15600 880.0 0.309 0.643 0.054 0.000 -0.003 0.000 3/15600 890.0 0.305 0.635 0.053 0.000 -0.003 0.000 3/15600 900.0 0.302 0.628 0.053 0.000 -0.003 0.000 3/15600 910.0 0.299 0.621 0.052 0.000 -0.003 0.000 3/15600 920.0 0.295 0.615 0.052 0.000 -0.003 0.000 3/15600 930.0 0.292 0.608 0.051 0.000 -0.003 0.000 3/15600 940.0 0.289 0.601 0.051 0.000 -0.003 0.000 3/15600 950.0 0.286 0.595 0.050 0.000 -0.003 0.000 3/15600 960.0 0.283 0.589 0.050 0.000 -0.003 0.000 3/15600 970.0 0.280 0.583 0.049 0.000 -0.003 0.000 3/15600 980.0 0.277 0.577 0.048 0.000 -0.003 0.000 3/15600 990.0 0.274 0.571 0.048 0.000 -0.003 0.000 3/15600 1000.0 0.272 0.565 0.048 0.000 -0.003 0.000 3/15600 Thermal conductivity related properties were written into "kappa-m5132.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:06:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|