----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:43:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.181384920000003 0.000000000000000 0.000000000000000 b 0.000000000000000 5.644385910000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.976038869999998 Atomic positions (fractional): *1 O 0.60159908943514 0.25000000000000 0.42140705714345 15.999 2 O 0.39840091056486 0.75000000000000 0.57859294285655 15.999 3 O 0.89840091056486 0.75000000000000 0.92140705714345 15.999 4 O 0.10159908943514 0.25000000000000 0.07859294285655 15.999 *5 O 0.27553711906083 0.99940640892267 0.86129998012408 15.999 6 O 0.72446288093917 0.49940640892267 0.13870001987592 15.999 7 O 0.22446288093917 0.00059359107733 0.36129998012408 15.999 8 O 0.77553711906083 0.50059359107733 0.63870001987592 15.999 9 O 0.72446288093917 0.00059359107733 0.13870001987592 15.999 10 O 0.27553711906083 0.50059359107733 0.86129998012408 15.999 11 O 0.77553711906083 0.99940640892267 0.63870001987592 15.999 12 O 0.22446288093917 0.49940640892267 0.36129998012408 15.999 *13 O 0.06543383056282 0.49941105233319 0.66432425239129 15.999 14 O 0.93456616943718 0.99941105233319 0.33567574760871 15.999 15 O 0.43456616943718 0.50058894766681 0.16432425239129 15.999 16 O 0.56543383056282 0.00058894766681 0.83567574760871 15.999 17 O 0.43456616943718 0.99941105233319 0.16432425239129 15.999 18 O 0.56543383056282 0.49941105233319 0.83567574760871 15.999 19 O 0.06543383056282 0.00058894766681 0.66432425239129 15.999 20 O 0.93456616943718 0.50058894766681 0.33567574760871 15.999 *21 Zn 0.15083035562141 0.25000000000000 0.80907328570507 65.380 22 Zn 0.84916964437859 0.75000000000000 0.19092671429493 65.380 23 Zn 0.34916964437859 0.75000000000000 0.30907328570507 65.380 24 Zn 0.65083035562141 0.25000000000000 0.69092671429493 65.380 *25 Ba 0.10102049700047 0.75000000000000 0.07774017940502 137.327 26 Ba 0.60102049700047 0.75000000000000 0.42225982059498 137.327 27 Ba 0.39897950299953 0.25000000000000 0.57774017940502 137.327 28 Ba 0.89897950299953 0.25000000000000 0.92225982059498 137.327 *29 Er 0.07456500270702 0.25000000000000 0.40134594305515 167.259 *30 Er 0.20787447125584 0.75000000000000 0.62067662506578 167.259 31 Er 0.70787447125584 0.75000000000000 0.87932337493422 167.259 32 Er 0.29212552874416 0.25000000000000 0.12067662506578 167.259 33 Er 0.92543499729298 0.75000000000000 0.59865405694485 167.259 34 Er 0.42543499729298 0.75000000000000 0.90134594305515 167.259 35 Er 0.57456500270702 0.25000000000000 0.09865405694485 167.259 36 Er 0.79212552874416 0.25000000000000 0.37932337493422 167.259 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.181384920000003 0.000000000000000 0.000000000000000 b 0.000000000000000 5.644385910000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.976038869999998 Atomic positions (fractional): *1 O 0.60159908943514 0.25000000000000 0.42140705714345 15.999 > 1 2 O 0.39840091056486 0.75000000000000 0.57859294285655 15.999 > 2 3 O 0.89840091056486 0.75000000000000 0.92140705714345 15.999 > 3 4 O 0.10159908943514 0.25000000000000 0.07859294285655 15.999 > 4 *5 O 0.27553711906083 0.99940640892267 0.86129998012408 15.999 > 5 6 O 0.72446288093917 0.49940640892267 0.13870001987592 15.999 > 6 7 O 0.22446288093917 0.00059359107733 0.36129998012408 15.999 > 7 8 O 0.77553711906083 0.50059359107733 0.63870001987592 15.999 > 8 9 O 0.72446288093917 0.00059359107733 0.13870001987592 15.999 > 9 10 O 0.27553711906083 0.50059359107733 0.86129998012408 15.999 > 10 11 O 0.77553711906083 0.99940640892267 0.63870001987592 15.999 > 11 12 O 0.22446288093917 0.49940640892267 0.36129998012408 15.999 > 12 *13 O 0.06543383056282 0.49941105233319 0.66432425239129 15.999 > 13 14 O 0.93456616943718 0.99941105233319 0.33567574760871 15.999 > 14 15 O 0.43456616943718 0.50058894766681 0.16432425239129 15.999 > 15 16 O 0.56543383056282 0.00058894766681 0.83567574760871 15.999 > 16 17 O 0.43456616943718 0.99941105233319 0.16432425239129 15.999 > 17 18 O 0.56543383056282 0.49941105233319 0.83567574760871 15.999 > 18 19 O 0.06543383056282 0.00058894766681 0.66432425239129 15.999 > 19 20 O 0.93456616943718 0.50058894766681 0.33567574760871 15.999 > 20 *21 Zn 0.15083035562141 0.25000000000000 0.80907328570507 65.380 > 21 22 Zn 0.84916964437859 0.75000000000000 0.19092671429493 65.380 > 22 23 Zn 0.34916964437859 0.75000000000000 0.30907328570507 65.380 > 23 24 Zn 0.65083035562141 0.25000000000000 0.69092671429493 65.380 > 24 *25 Ba 0.10102049700047 0.75000000000000 0.07774017940502 137.327 > 25 26 Ba 0.60102049700047 0.75000000000000 0.42225982059498 137.327 > 26 27 Ba 0.39897950299953 0.25000000000000 0.57774017940502 137.327 > 27 28 Ba 0.89897950299953 0.25000000000000 0.92225982059498 137.327 > 28 *29 Er 0.07456500270702 0.25000000000000 0.40134594305515 167.259 > 29 *30 Er 0.20787447125584 0.75000000000000 0.62067662506578 167.259 > 30 31 Er 0.70787447125584 0.75000000000000 0.87932337493422 167.259 > 31 32 Er 0.29212552874416 0.25000000000000 0.12067662506578 167.259 > 32 33 Er 0.92543499729298 0.75000000000000 0.59865405694485 167.259 > 33 34 Er 0.42543499729298 0.75000000000000 0.90134594305515 167.259 > 34 35 Er 0.57456500270702 0.25000000000000 0.09865405694485 167.259 > 35 36 Er 0.79212552874416 0.25000000000000 0.37932337493422 167.259 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.181384920000003 0.000000000000000 0.000000000000000 b 0.000000000000000 11.288771819999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.952077739999996 Atomic positions (fractional): *1 O 0.60159908943514 0.12500000000000 0.21070352857172 15.999 > 1 2 O 0.60159908943514 0.62500000000000 0.21070352857172 15.999 > 1 3 O 0.60159908943514 0.12500000000000 0.71070352857172 15.999 > 1 4 O 0.60159908943514 0.62500000000000 0.71070352857172 15.999 > 1 5 O 0.39840091056486 0.37500000000000 0.28929647142828 15.999 > 2 6 O 0.39840091056486 0.87500000000000 0.28929647142828 15.999 > 2 7 O 0.39840091056486 0.37500000000000 0.78929647142828 15.999 > 2 8 O 0.39840091056486 0.87500000000000 0.78929647142828 15.999 > 2 9 O 0.89840091056486 0.37500000000000 0.46070352857172 15.999 > 3 10 O 0.89840091056486 0.87500000000000 0.46070352857172 15.999 > 3 11 O 0.89840091056486 0.37500000000000 0.96070352857172 15.999 > 3 12 O 0.89840091056486 0.87500000000000 0.96070352857172 15.999 > 3 13 O 0.10159908943514 0.12500000000000 0.03929647142828 15.999 > 4 14 O 0.10159908943514 0.62500000000000 0.03929647142828 15.999 > 4 15 O 0.10159908943514 0.12500000000000 0.53929647142828 15.999 > 4 16 O 0.10159908943514 0.62500000000000 0.53929647142828 15.999 > 4 *17 O 0.27553711906083 0.49970320446134 0.43064999006204 15.999 > 5 18 O 0.27553711906083 0.99970320446134 0.43064999006204 15.999 > 5 19 O 0.27553711906083 0.49970320446134 0.93064999006204 15.999 > 5 20 O 0.27553711906083 0.99970320446134 0.93064999006204 15.999 > 5 21 O 0.72446288093917 0.24970320446134 0.06935000993796 15.999 > 6 22 O 0.72446288093917 0.74970320446134 0.06935000993796 15.999 > 6 23 O 0.72446288093917 0.24970320446134 0.56935000993796 15.999 > 6 24 O 0.72446288093917 0.74970320446134 0.56935000993796 15.999 > 6 25 O 0.22446288093917 0.00029679553866 0.18064999006204 15.999 > 7 26 O 0.22446288093917 0.50029679553866 0.18064999006204 15.999 > 7 27 O 0.22446288093917 0.00029679553866 0.68064999006204 15.999 > 7 28 O 0.22446288093917 0.50029679553866 0.68064999006204 15.999 > 7 29 O 0.77553711906083 0.25029679553866 0.31935000993796 15.999 > 8 30 O 0.77553711906083 0.75029679553866 0.31935000993796 15.999 > 8 31 O 0.77553711906083 0.25029679553866 0.81935000993796 15.999 > 8 32 O 0.77553711906083 0.75029679553866 0.81935000993796 15.999 > 8 33 O 0.72446288093917 0.00029679553866 0.06935000993796 15.999 > 9 34 O 0.72446288093917 0.50029679553866 0.06935000993796 15.999 > 9 35 O 0.72446288093917 0.00029679553866 0.56935000993796 15.999 > 9 36 O 0.72446288093917 0.50029679553866 0.56935000993796 15.999 > 9 37 O 0.27553711906083 0.25029679553866 0.43064999006204 15.999 > 10 38 O 0.27553711906083 0.75029679553866 0.43064999006204 15.999 > 10 39 O 0.27553711906083 0.25029679553866 0.93064999006204 15.999 > 10 40 O 0.27553711906083 0.75029679553866 0.93064999006204 15.999 > 10 41 O 0.77553711906083 0.49970320446134 0.31935000993796 15.999 > 11 42 O 0.77553711906083 0.99970320446134 0.31935000993796 15.999 > 11 43 O 0.77553711906083 0.49970320446134 0.81935000993796 15.999 > 11 44 O 0.77553711906083 0.99970320446134 0.81935000993796 15.999 > 11 45 O 0.22446288093917 0.24970320446134 0.18064999006204 15.999 > 12 46 O 0.22446288093917 0.74970320446134 0.18064999006204 15.999 > 12 47 O 0.22446288093917 0.24970320446134 0.68064999006204 15.999 > 12 48 O 0.22446288093917 0.74970320446134 0.68064999006204 15.999 > 12 *49 O 0.06543383056282 0.24970552616660 0.33216212619565 15.999 > 13 50 O 0.06543383056282 0.74970552616660 0.33216212619565 15.999 > 13 51 O 0.06543383056282 0.24970552616660 0.83216212619565 15.999 > 13 52 O 0.06543383056282 0.74970552616660 0.83216212619565 15.999 > 13 53 O 0.93456616943718 0.49970552616660 0.16783787380435 15.999 > 14 54 O 0.93456616943718 0.99970552616660 0.16783787380435 15.999 > 14 55 O 0.93456616943718 0.49970552616660 0.66783787380435 15.999 > 14 56 O 0.93456616943718 0.99970552616660 0.66783787380435 15.999 > 14 57 O 0.43456616943718 0.25029447383340 0.08216212619565 15.999 > 15 58 O 0.43456616943718 0.75029447383340 0.08216212619565 15.999 > 15 59 O 0.43456616943718 0.25029447383340 0.58216212619565 15.999 > 15 60 O 0.43456616943718 0.75029447383340 0.58216212619565 15.999 > 15 61 O 0.56543383056282 0.00029447383340 0.41783787380435 15.999 > 16 62 O 0.56543383056282 0.50029447383340 0.41783787380435 15.999 > 16 63 O 0.56543383056282 0.00029447383340 0.91783787380435 15.999 > 16 64 O 0.56543383056282 0.50029447383340 0.91783787380435 15.999 > 16 65 O 0.43456616943718 0.49970552616660 0.08216212619565 15.999 > 17 66 O 0.43456616943718 0.99970552616660 0.08216212619565 15.999 > 17 67 O 0.43456616943718 0.49970552616660 0.58216212619565 15.999 > 17 68 O 0.43456616943718 0.99970552616660 0.58216212619565 15.999 > 17 69 O 0.56543383056282 0.24970552616660 0.41783787380435 15.999 > 18 70 O 0.56543383056282 0.74970552616660 0.41783787380435 15.999 > 18 71 O 0.56543383056282 0.24970552616660 0.91783787380435 15.999 > 18 72 O 0.56543383056282 0.74970552616660 0.91783787380435 15.999 > 18 73 O 0.06543383056282 0.00029447383340 0.33216212619565 15.999 > 19 74 O 0.06543383056282 0.50029447383340 0.33216212619565 15.999 > 19 75 O 0.06543383056282 0.00029447383340 0.83216212619565 15.999 > 19 76 O 0.06543383056282 0.50029447383340 0.83216212619565 15.999 > 19 77 O 0.93456616943718 0.25029447383340 0.16783787380435 15.999 > 20 78 O 0.93456616943718 0.75029447383340 0.16783787380435 15.999 > 20 79 O 0.93456616943718 0.25029447383340 0.66783787380435 15.999 > 20 80 O 0.93456616943718 0.75029447383340 0.66783787380435 15.999 > 20 *81 Zn 0.15083035562141 0.12500000000000 0.40453664285253 65.380 > 21 82 Zn 0.15083035562141 0.62500000000000 0.40453664285253 65.380 > 21 83 Zn 0.15083035562141 0.12500000000000 0.90453664285253 65.380 > 21 84 Zn 0.15083035562141 0.62500000000000 0.90453664285253 65.380 > 21 85 Zn 0.84916964437859 0.37500000000000 0.09546335714746 65.380 > 22 86 Zn 0.84916964437859 0.87500000000000 0.09546335714746 65.380 > 22 87 Zn 0.84916964437859 0.37500000000000 0.59546335714747 65.380 > 22 88 Zn 0.84916964437859 0.87500000000000 0.59546335714747 65.380 > 22 89 Zn 0.34916964437859 0.37500000000000 0.15453664285253 65.380 > 23 90 Zn 0.34916964437859 0.87500000000000 0.15453664285253 65.380 > 23 91 Zn 0.34916964437859 0.37500000000000 0.65453664285253 65.380 > 23 92 Zn 0.34916964437859 0.87500000000000 0.65453664285253 65.380 > 23 93 Zn 0.65083035562141 0.12500000000000 0.34546335714747 65.380 > 24 94 Zn 0.65083035562141 0.62500000000000 0.34546335714747 65.380 > 24 95 Zn 0.65083035562141 0.12500000000000 0.84546335714747 65.380 > 24 96 Zn 0.65083035562141 0.62500000000000 0.84546335714747 65.380 > 24 *97 Ba 0.10102049700047 0.37500000000000 0.03887008970251 137.327 > 25 98 Ba 0.10102049700047 0.87500000000000 0.03887008970251 137.327 > 25 99 Ba 0.10102049700047 0.37500000000000 0.53887008970251 137.327 > 25 100 Ba 0.10102049700047 0.87500000000000 0.53887008970251 137.327 > 25 101 Ba 0.60102049700047 0.37500000000000 0.21112991029749 137.327 > 26 102 Ba 0.60102049700047 0.87500000000000 0.21112991029749 137.327 > 26 103 Ba 0.60102049700047 0.37500000000000 0.71112991029749 137.327 > 26 104 Ba 0.60102049700047 0.87500000000000 0.71112991029749 137.327 > 26 105 Ba 0.39897950299953 0.12500000000000 0.28887008970251 137.327 > 27 106 Ba 0.39897950299953 0.62500000000000 0.28887008970251 137.327 > 27 107 Ba 0.39897950299953 0.12500000000000 0.78887008970251 137.327 > 27 108 Ba 0.39897950299953 0.62500000000000 0.78887008970251 137.327 > 27 109 Ba 0.89897950299953 0.12500000000000 0.46112991029749 137.327 > 28 110 Ba 0.89897950299953 0.62500000000000 0.46112991029749 137.327 > 28 111 Ba 0.89897950299953 0.12500000000000 0.96112991029749 137.327 > 28 112 Ba 0.89897950299953 0.62500000000000 0.96112991029749 137.327 > 28 *113 Er 0.07456500270702 0.12500000000000 0.20067297152757 167.259 > 29 114 Er 0.07456500270702 0.62500000000000 0.20067297152757 167.259 > 29 115 Er 0.07456500270702 0.12500000000000 0.70067297152757 167.259 > 29 116 Er 0.07456500270702 0.62500000000000 0.70067297152757 167.259 > 29 *117 Er 0.20787447125584 0.37500000000000 0.31033831253289 167.259 > 30 118 Er 0.20787447125584 0.87500000000000 0.31033831253289 167.259 > 30 119 Er 0.20787447125584 0.37500000000000 0.81033831253289 167.259 > 30 120 Er 0.20787447125584 0.87500000000000 0.81033831253289 167.259 > 30 121 Er 0.70787447125584 0.37500000000000 0.43966168746711 167.259 > 31 122 Er 0.70787447125584 0.87500000000000 0.43966168746711 167.259 > 31 123 Er 0.70787447125584 0.37500000000000 0.93966168746711 167.259 > 31 124 Er 0.70787447125584 0.87500000000000 0.93966168746711 167.259 > 31 125 Er 0.29212552874416 0.12500000000000 0.06033831253289 167.259 > 32 126 Er 0.29212552874416 0.62500000000000 0.06033831253289 167.259 > 32 127 Er 0.29212552874416 0.12500000000000 0.56033831253289 167.259 > 32 128 Er 0.29212552874416 0.62500000000000 0.56033831253289 167.259 > 32 129 Er 0.92543499729298 0.37500000000000 0.29932702847243 167.259 > 33 130 Er 0.92543499729298 0.87500000000000 0.29932702847243 167.259 > 33 131 Er 0.92543499729298 0.37500000000000 0.79932702847243 167.259 > 33 132 Er 0.92543499729298 0.87500000000000 0.79932702847243 167.259 > 33 133 Er 0.42543499729298 0.37500000000000 0.45067297152757 167.259 > 34 134 Er 0.42543499729298 0.87500000000000 0.45067297152757 167.259 > 34 135 Er 0.42543499729298 0.37500000000000 0.95067297152757 167.259 > 34 136 Er 0.42543499729298 0.87500000000000 0.95067297152757 167.259 > 34 137 Er 0.57456500270702 0.12500000000000 0.04932702847243 167.259 > 35 138 Er 0.57456500270702 0.62500000000000 0.04932702847243 167.259 > 35 139 Er 0.57456500270702 0.12500000000000 0.54932702847243 167.259 > 35 140 Er 0.57456500270702 0.62500000000000 0.54932702847243 167.259 > 35 141 Er 0.79212552874416 0.12500000000000 0.18966168746711 167.259 > 36 142 Er 0.79212552874416 0.62500000000000 0.18966168746711 167.259 > 36 143 Er 0.79212552874416 0.12500000000000 0.68966168746711 167.259 > 36 144 Er 0.79212552874416 0.62500000000000 0.68966168746711 167.259 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6370035 0.0000000 0.0000000 0.0000000 4.5980231 0.0000000 0.0000000 0.0000000 4.5399955 -------------------------- Born effective charges -------------------------- 1 O -2.5502938 0.0000000 -0.0619275 0.0000000 -2.0576628 0.0000000 -0.0394817 0.0000000 -2.8551036 2 O -2.5502938 0.0000000 -0.0619275 0.0000000 -2.0576628 0.0000000 -0.0394817 0.0000000 -2.8551036 3 O -2.5502938 0.0000000 0.0619275 0.0000000 -2.0576628 0.0000000 0.0394817 0.0000000 -2.8551036 4 O -2.5502938 0.0000000 0.0619275 0.0000000 -2.0576628 0.0000000 0.0394817 0.0000000 -2.8551036 5 O -2.3712122 0.2748482 -0.1614197 0.2672493 -2.6763665 -0.4481880 -0.1751369 -0.4121417 -2.4542659 6 O -2.3712122 -0.2748482 -0.1614197 -0.2672493 -2.6763665 0.4481880 -0.1751369 0.4121417 -2.4542659 7 O -2.3712122 0.2748482 0.1614197 0.2672493 -2.6763665 0.4481880 0.1751369 0.4121417 -2.4542659 8 O -2.3712122 -0.2748482 0.1614197 -0.2672493 -2.6763665 -0.4481880 0.1751369 -0.4121417 -2.4542659 9 O -2.3712122 0.2748482 -0.1614197 0.2672493 -2.6763665 -0.4481880 -0.1751369 -0.4121417 -2.4542659 10 O -2.3712122 -0.2748482 -0.1614197 -0.2672493 -2.6763665 0.4481880 -0.1751369 0.4121417 -2.4542659 11 O -2.3712122 0.2748482 0.1614197 0.2672493 -2.6763665 0.4481880 0.1751369 0.4121417 -2.4542659 12 O -2.3712122 -0.2748482 0.1614197 -0.2672493 -2.6763665 -0.4481880 0.1751369 -0.4121417 -2.4542659 13 O -2.5806249 0.1172507 -0.1682368 0.1724392 -2.6021208 0.0244511 -0.0766303 -0.0228392 -2.1134786 14 O -2.5806249 -0.1172507 -0.1682368 -0.1724392 -2.6021208 -0.0244511 -0.0766303 0.0228392 -2.1134786 15 O -2.5806249 0.1172507 0.1682368 0.1724392 -2.6021208 -0.0244511 0.0766303 0.0228392 -2.1134786 16 O -2.5806249 -0.1172507 0.1682368 -0.1724392 -2.6021208 0.0244511 0.0766303 -0.0228392 -2.1134786 17 O -2.5806249 -0.1172507 0.1682368 -0.1724392 -2.6021208 0.0244511 0.0766303 -0.0228392 -2.1134786 18 O -2.5806249 0.1172507 0.1682368 0.1724392 -2.6021208 -0.0244511 0.0766303 0.0228392 -2.1134786 19 O -2.5806249 -0.1172507 -0.1682368 -0.1724392 -2.6021208 -0.0244511 -0.0766303 0.0228392 -2.1134786 20 O -2.5806249 0.1172507 -0.1682368 0.1724392 -2.6021208 0.0244511 -0.0766303 -0.0228392 -2.1134786 21 Zn 1.9782879 0.0000000 0.3026163 0.0000000 2.2988055 0.0000000 0.2818724 0.0000000 1.8571465 22 Zn 1.9782879 0.0000000 0.3026163 0.0000000 2.2988055 0.0000000 0.2818724 0.0000000 1.8571465 23 Zn 1.9782879 0.0000000 -0.3026163 0.0000000 2.2988055 0.0000000 -0.2818724 0.0000000 1.8571465 24 Zn 1.9782879 0.0000000 -0.3026163 0.0000000 2.2988055 0.0000000 -0.2818724 0.0000000 1.8571465 25 Ba 2.9045729 0.0000000 0.1379736 0.0000000 2.9641971 0.0000000 0.0860149 0.0000000 2.6232767 26 Ba 2.9045729 0.0000000 -0.1379736 0.0000000 2.9641971 0.0000000 -0.0860149 0.0000000 2.6232767 27 Ba 2.9045729 0.0000000 -0.1379736 0.0000000 2.9641971 0.0000000 -0.0860149 0.0000000 2.6232767 28 Ba 2.9045729 0.0000000 0.1379736 0.0000000 2.9641971 0.0000000 0.0860149 0.0000000 2.6232767 29 Er 3.9576320 0.0000000 0.0022961 0.0000000 3.6611022 0.0000000 -0.0965030 0.0000000 3.7830017 30 Er 3.6134751 0.0000000 -0.0906479 0.0000000 3.6905327 0.0000000 -0.1214549 0.0000000 3.7271676 31 Er 3.6134751 0.0000000 0.0906479 0.0000000 3.6905327 0.0000000 0.1214549 0.0000000 3.7271676 32 Er 3.6134751 0.0000000 0.0906479 0.0000000 3.6905327 0.0000000 0.1214549 0.0000000 3.7271676 33 Er 3.9576320 0.0000000 0.0022961 0.0000000 3.6611022 0.0000000 -0.0965030 0.0000000 3.7830017 34 Er 3.9576320 0.0000000 -0.0022961 0.0000000 3.6611022 0.0000000 0.0965030 0.0000000 3.7830017 35 Er 3.9576320 0.0000000 -0.0022961 0.0000000 3.6611022 0.0000000 0.0965030 0.0000000 3.7830017 36 Er 3.6134751 0.0000000 -0.0906479 0.0000000 3.6905327 0.0000000 -0.1214549 0.0000000 3.7271676 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3101 Number of blocks in projector: 3101 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: 748 Use submatrix version of eigh solver. (1) Block: 500 / 748 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 748 / 748 (1) 235 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 246 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 246 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 419 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 419 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 419 Use standard eigh solver. Tree of FC basis block matrices: - (3101, 3058), data: False |-- (419, 412), data: True |-- (419, 412), data: True |-- (419, 412), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 4), data: (548, 8) @ (8, 4) |-- (298, 294), data: True |-- (250, 246), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 4), data: (548, 8) @ (8, 4) |-- (298, 294), data: True |-- (250, 246), data: True |-- (748, 734), data: False |-- (748, 13), data: (748, 27) @ (27, 13) |-- (248, 235), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.012 Solver_block: 100 / 560 - Time: 1.910 Solver_block: 200 / 560 - Time: 1.473 Solver_block: 300 / 560 - Time: 1.762 Solver_block: 400 / 560 - Time: 1.164 Solver_block: 500 / 560 - Time: 1.723 Solver_block: 560 / 560 - Time: 0.983 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.567 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3101 Number of blocks in projector: 3101 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: 748 Use submatrix version of eigh solver. (1) Block: 500 / 748 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 748 / 748 (1) 235 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 246 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 246 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 419 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 419 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 419 Use standard eigh solver. Tree of FC basis block matrices: - (3101, 3058), data: False |-- (419, 412), data: True |-- (419, 412), data: True |-- (419, 412), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 4), data: (548, 8) @ (8, 4) |-- (298, 294), data: True |-- (250, 246), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 4), data: (548, 8) @ (8, 4) |-- (298, 294), data: True |-- (250, 246), data: True |-- (748, 734), data: False |-- (748, 13), data: (748, 27) @ (27, 13) |-- (248, 235), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:44:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:44:52]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.181384920000003 0.000000000000000 0.000000000000000 b 0.000000000000000 5.644385910000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.976038869999998 Atomic positions (fractional): 1 O 0.60159908943514 0.25000000000000 0.42140705714345 15.999 2 O 0.39840091056486 0.75000000000000 0.57859294285655 15.999 3 O 0.89840091056486 0.75000000000000 0.92140705714345 15.999 4 O 0.10159908943514 0.25000000000000 0.07859294285655 15.999 5 O 0.27553711906083 0.99940640892267 0.86129998012408 15.999 6 O 0.72446288093917 0.49940640892267 0.13870001987592 15.999 7 O 0.22446288093917 0.00059359107733 0.36129998012408 15.999 8 O 0.77553711906083 0.50059359107733 0.63870001987592 15.999 9 O 0.72446288093917 0.00059359107733 0.13870001987592 15.999 10 O 0.27553711906083 0.50059359107733 0.86129998012408 15.999 11 O 0.77553711906083 0.99940640892267 0.63870001987592 15.999 12 O 0.22446288093917 0.49940640892267 0.36129998012408 15.999 13 O 0.06543383056282 0.49941105233319 0.66432425239129 15.999 14 O 0.93456616943718 0.99941105233319 0.33567574760871 15.999 15 O 0.43456616943718 0.50058894766681 0.16432425239129 15.999 16 O 0.56543383056282 0.00058894766681 0.83567574760871 15.999 17 O 0.43456616943718 0.99941105233319 0.16432425239129 15.999 18 O 0.56543383056282 0.49941105233319 0.83567574760871 15.999 19 O 0.06543383056282 0.00058894766681 0.66432425239129 15.999 20 O 0.93456616943718 0.50058894766681 0.33567574760871 15.999 21 Zn 0.15083035562141 0.25000000000000 0.80907328570507 65.380 22 Zn 0.84916964437859 0.75000000000000 0.19092671429493 65.380 23 Zn 0.34916964437859 0.75000000000000 0.30907328570507 65.380 24 Zn 0.65083035562141 0.25000000000000 0.69092671429493 65.380 25 Ba 0.10102049700047 0.75000000000000 0.07774017940502 137.327 26 Ba 0.60102049700047 0.75000000000000 0.42225982059498 137.327 27 Ba 0.39897950299953 0.25000000000000 0.57774017940502 137.327 28 Ba 0.89897950299953 0.25000000000000 0.92225982059498 137.327 29 Er 0.07456500270702 0.25000000000000 0.40134594305515 167.259 30 Er 0.20787447125584 0.75000000000000 0.62067662506578 167.259 31 Er 0.70787447125584 0.75000000000000 0.87932337493422 167.259 32 Er 0.29212552874416 0.25000000000000 0.12067662506578 167.259 33 Er 0.92543499729298 0.75000000000000 0.59865405694485 167.259 34 Er 0.42543499729298 0.75000000000000 0.90134594305515 167.259 35 Er 0.57456500270702 0.25000000000000 0.09865405694485 167.259 36 Er 0.79212552874416 0.25000000000000 0.37932337493422 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.181384920000003 0.000000000000000 0.000000000000000 b 0.000000000000000 11.288771819999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.952077739999996 Atomic positions (fractional): 1 O 0.60159908943514 0.12500000000000 0.21070352857172 15.999 > 1 2 O 0.60159908943514 0.62500000000000 0.21070352857172 15.999 > 1 3 O 0.60159908943514 0.12500000000000 0.71070352857172 15.999 > 1 4 O 0.60159908943514 0.62500000000000 0.71070352857172 15.999 > 1 5 O 0.39840091056486 0.37500000000000 0.28929647142828 15.999 > 5 6 O 0.39840091056486 0.87500000000000 0.28929647142828 15.999 > 5 7 O 0.39840091056486 0.37500000000000 0.78929647142828 15.999 > 5 8 O 0.39840091056486 0.87500000000000 0.78929647142828 15.999 > 5 9 O 0.89840091056486 0.37500000000000 0.46070352857172 15.999 > 9 10 O 0.89840091056486 0.87500000000000 0.46070352857172 15.999 > 9 11 O 0.89840091056486 0.37500000000000 0.96070352857172 15.999 > 9 12 O 0.89840091056486 0.87500000000000 0.96070352857172 15.999 > 9 13 O 0.10159908943514 0.12500000000000 0.03929647142828 15.999 > 13 14 O 0.10159908943514 0.62500000000000 0.03929647142828 15.999 > 13 15 O 0.10159908943514 0.12500000000000 0.53929647142828 15.999 > 13 16 O 0.10159908943514 0.62500000000000 0.53929647142828 15.999 > 13 17 O 0.27553711906083 0.49970320446134 0.43064999006204 15.999 > 17 18 O 0.27553711906083 0.99970320446134 0.43064999006204 15.999 > 17 19 O 0.27553711906083 0.49970320446134 0.93064999006204 15.999 > 17 20 O 0.27553711906083 0.99970320446134 0.93064999006204 15.999 > 17 21 O 0.72446288093917 0.24970320446134 0.06935000993796 15.999 > 21 22 O 0.72446288093917 0.74970320446134 0.06935000993796 15.999 > 21 23 O 0.72446288093917 0.24970320446134 0.56935000993796 15.999 > 21 24 O 0.72446288093917 0.74970320446134 0.56935000993796 15.999 > 21 25 O 0.22446288093917 0.00029679553866 0.18064999006204 15.999 > 25 26 O 0.22446288093917 0.50029679553866 0.18064999006204 15.999 > 25 27 O 0.22446288093917 0.00029679553866 0.68064999006204 15.999 > 25 28 O 0.22446288093917 0.50029679553866 0.68064999006204 15.999 > 25 29 O 0.77553711906083 0.25029679553866 0.31935000993796 15.999 > 29 30 O 0.77553711906083 0.75029679553866 0.31935000993796 15.999 > 29 31 O 0.77553711906083 0.25029679553866 0.81935000993796 15.999 > 29 32 O 0.77553711906083 0.75029679553866 0.81935000993796 15.999 > 29 33 O 0.72446288093917 0.00029679553866 0.06935000993796 15.999 > 33 34 O 0.72446288093917 0.50029679553866 0.06935000993796 15.999 > 33 35 O 0.72446288093917 0.00029679553866 0.56935000993796 15.999 > 33 36 O 0.72446288093917 0.50029679553866 0.56935000993796 15.999 > 33 37 O 0.27553711906083 0.25029679553866 0.43064999006204 15.999 > 37 38 O 0.27553711906083 0.75029679553866 0.43064999006204 15.999 > 37 39 O 0.27553711906083 0.25029679553866 0.93064999006204 15.999 > 37 40 O 0.27553711906083 0.75029679553866 0.93064999006204 15.999 > 37 41 O 0.77553711906083 0.49970320446134 0.31935000993796 15.999 > 41 42 O 0.77553711906083 0.99970320446134 0.31935000993796 15.999 > 41 43 O 0.77553711906083 0.49970320446134 0.81935000993796 15.999 > 41 44 O 0.77553711906083 0.99970320446134 0.81935000993796 15.999 > 41 45 O 0.22446288093917 0.24970320446134 0.18064999006204 15.999 > 45 46 O 0.22446288093917 0.74970320446134 0.18064999006204 15.999 > 45 47 O 0.22446288093917 0.24970320446134 0.68064999006204 15.999 > 45 48 O 0.22446288093917 0.74970320446134 0.68064999006204 15.999 > 45 49 O 0.06543383056282 0.24970552616660 0.33216212619565 15.999 > 49 50 O 0.06543383056282 0.74970552616660 0.33216212619565 15.999 > 49 51 O 0.06543383056282 0.24970552616660 0.83216212619565 15.999 > 49 52 O 0.06543383056282 0.74970552616660 0.83216212619565 15.999 > 49 53 O 0.93456616943718 0.49970552616660 0.16783787380435 15.999 > 53 54 O 0.93456616943718 0.99970552616660 0.16783787380435 15.999 > 53 55 O 0.93456616943718 0.49970552616660 0.66783787380435 15.999 > 53 56 O 0.93456616943718 0.99970552616660 0.66783787380435 15.999 > 53 57 O 0.43456616943718 0.25029447383340 0.08216212619565 15.999 > 57 58 O 0.43456616943718 0.75029447383340 0.08216212619565 15.999 > 57 59 O 0.43456616943718 0.25029447383340 0.58216212619565 15.999 > 57 60 O 0.43456616943718 0.75029447383340 0.58216212619565 15.999 > 57 61 O 0.56543383056282 0.00029447383340 0.41783787380435 15.999 > 61 62 O 0.56543383056282 0.50029447383340 0.41783787380435 15.999 > 61 63 O 0.56543383056282 0.00029447383340 0.91783787380435 15.999 > 61 64 O 0.56543383056282 0.50029447383340 0.91783787380435 15.999 > 61 65 O 0.43456616943718 0.49970552616660 0.08216212619565 15.999 > 65 66 O 0.43456616943718 0.99970552616660 0.08216212619565 15.999 > 65 67 O 0.43456616943718 0.49970552616660 0.58216212619565 15.999 > 65 68 O 0.43456616943718 0.99970552616660 0.58216212619565 15.999 > 65 69 O 0.56543383056282 0.24970552616660 0.41783787380435 15.999 > 69 70 O 0.56543383056282 0.74970552616660 0.41783787380435 15.999 > 69 71 O 0.56543383056282 0.24970552616660 0.91783787380435 15.999 > 69 72 O 0.56543383056282 0.74970552616660 0.91783787380435 15.999 > 69 73 O 0.06543383056282 0.00029447383340 0.33216212619565 15.999 > 73 74 O 0.06543383056282 0.50029447383340 0.33216212619565 15.999 > 73 75 O 0.06543383056282 0.00029447383340 0.83216212619565 15.999 > 73 76 O 0.06543383056282 0.50029447383340 0.83216212619565 15.999 > 73 77 O 0.93456616943718 0.25029447383340 0.16783787380435 15.999 > 77 78 O 0.93456616943718 0.75029447383340 0.16783787380435 15.999 > 77 79 O 0.93456616943718 0.25029447383340 0.66783787380435 15.999 > 77 80 O 0.93456616943718 0.75029447383340 0.66783787380435 15.999 > 77 81 Zn 0.15083035562141 0.12500000000000 0.40453664285253 65.380 > 81 82 Zn 0.15083035562141 0.62500000000000 0.40453664285253 65.380 > 81 83 Zn 0.15083035562141 0.12500000000000 0.90453664285253 65.380 > 81 84 Zn 0.15083035562141 0.62500000000000 0.90453664285253 65.380 > 81 85 Zn 0.84916964437859 0.37500000000000 0.09546335714746 65.380 > 85 86 Zn 0.84916964437859 0.87500000000000 0.09546335714746 65.380 > 85 87 Zn 0.84916964437859 0.37500000000000 0.59546335714747 65.380 > 85 88 Zn 0.84916964437859 0.87500000000000 0.59546335714747 65.380 > 85 89 Zn 0.34916964437859 0.37500000000000 0.15453664285253 65.380 > 89 90 Zn 0.34916964437859 0.87500000000000 0.15453664285253 65.380 > 89 91 Zn 0.34916964437859 0.37500000000000 0.65453664285253 65.380 > 89 92 Zn 0.34916964437859 0.87500000000000 0.65453664285253 65.380 > 89 93 Zn 0.65083035562141 0.12500000000000 0.34546335714747 65.380 > 93 94 Zn 0.65083035562141 0.62500000000000 0.34546335714747 65.380 > 93 95 Zn 0.65083035562141 0.12500000000000 0.84546335714747 65.380 > 93 96 Zn 0.65083035562141 0.62500000000000 0.84546335714747 65.380 > 93 97 Ba 0.10102049700047 0.37500000000000 0.03887008970251 137.327 > 97 98 Ba 0.10102049700047 0.87500000000000 0.03887008970251 137.327 > 97 99 Ba 0.10102049700047 0.37500000000000 0.53887008970251 137.327 > 97 100 Ba 0.10102049700047 0.87500000000000 0.53887008970251 137.327 > 97 101 Ba 0.60102049700047 0.37500000000000 0.21112991029749 137.327 > 101 102 Ba 0.60102049700047 0.87500000000000 0.21112991029749 137.327 > 101 103 Ba 0.60102049700047 0.37500000000000 0.71112991029749 137.327 > 101 104 Ba 0.60102049700047 0.87500000000000 0.71112991029749 137.327 > 101 105 Ba 0.39897950299953 0.12500000000000 0.28887008970251 137.327 > 105 106 Ba 0.39897950299953 0.62500000000000 0.28887008970251 137.327 > 105 107 Ba 0.39897950299953 0.12500000000000 0.78887008970251 137.327 > 105 108 Ba 0.39897950299953 0.62500000000000 0.78887008970251 137.327 > 105 109 Ba 0.89897950299953 0.12500000000000 0.46112991029749 137.327 > 109 110 Ba 0.89897950299953 0.62500000000000 0.46112991029749 137.327 > 109 111 Ba 0.89897950299953 0.12500000000000 0.96112991029749 137.327 > 109 112 Ba 0.89897950299953 0.62500000000000 0.96112991029749 137.327 > 109 113 Er 0.07456500270702 0.12500000000000 0.20067297152757 167.259 > 113 114 Er 0.07456500270702 0.62500000000000 0.20067297152757 167.259 > 113 115 Er 0.07456500270702 0.12500000000000 0.70067297152757 167.259 > 113 116 Er 0.07456500270702 0.62500000000000 0.70067297152757 167.259 > 113 117 Er 0.20787447125584 0.37500000000000 0.31033831253289 167.259 > 117 118 Er 0.20787447125584 0.87500000000000 0.31033831253289 167.259 > 117 119 Er 0.20787447125584 0.37500000000000 0.81033831253289 167.259 > 117 120 Er 0.20787447125584 0.87500000000000 0.81033831253289 167.259 > 117 121 Er 0.70787447125584 0.37500000000000 0.43966168746711 167.259 > 121 122 Er 0.70787447125584 0.87500000000000 0.43966168746711 167.259 > 121 123 Er 0.70787447125584 0.37500000000000 0.93966168746711 167.259 > 121 124 Er 0.70787447125584 0.87500000000000 0.93966168746711 167.259 > 121 125 Er 0.29212552874416 0.12500000000000 0.06033831253289 167.259 > 125 126 Er 0.29212552874416 0.62500000000000 0.06033831253289 167.259 > 125 127 Er 0.29212552874416 0.12500000000000 0.56033831253289 167.259 > 125 128 Er 0.29212552874416 0.62500000000000 0.56033831253289 167.259 > 125 129 Er 0.92543499729298 0.37500000000000 0.29932702847243 167.259 > 129 130 Er 0.92543499729298 0.87500000000000 0.29932702847243 167.259 > 129 131 Er 0.92543499729298 0.37500000000000 0.79932702847243 167.259 > 129 132 Er 0.92543499729298 0.87500000000000 0.79932702847243 167.259 > 129 133 Er 0.42543499729298 0.37500000000000 0.45067297152757 167.259 > 133 134 Er 0.42543499729298 0.87500000000000 0.45067297152757 167.259 > 133 135 Er 0.42543499729298 0.37500000000000 0.95067297152757 167.259 > 133 136 Er 0.42543499729298 0.87500000000000 0.95067297152757 167.259 > 133 137 Er 0.57456500270702 0.12500000000000 0.04932702847243 167.259 > 137 138 Er 0.57456500270702 0.62500000000000 0.04932702847243 167.259 > 137 139 Er 0.57456500270702 0.12500000000000 0.54932702847243 167.259 > 137 140 Er 0.57456500270702 0.62500000000000 0.54932702847243 167.259 > 137 141 Er 0.79212552874416 0.12500000000000 0.18966168746711 167.259 > 141 142 Er 0.79212552874416 0.62500000000000 0.18966168746711 167.259 > 141 143 Er 0.79212552874416 0.12500000000000 0.68966168746711 167.259 > 141 144 Er 0.79212552874416 0.62500000000000 0.68966168746711 167.259 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6370035 0.0000000 0.0000000 0.0000000 4.5980231 0.0000000 0.0000000 0.0000000 4.5399955 -------------------------- Born effective charges -------------------------- 1 O -2.5502938 0.0000000 -0.0619275 0.0000000 -2.0576628 0.0000000 -0.0394817 0.0000000 -2.8551036 2 O -2.5502938 0.0000000 -0.0619275 0.0000000 -2.0576628 0.0000000 -0.0394817 0.0000000 -2.8551036 3 O -2.5502938 0.0000000 0.0619275 0.0000000 -2.0576628 0.0000000 0.0394817 0.0000000 -2.8551036 4 O -2.5502938 0.0000000 0.0619275 0.0000000 -2.0576628 0.0000000 0.0394817 0.0000000 -2.8551036 5 O -2.3712122 0.2748482 -0.1614197 0.2672493 -2.6763665 -0.4481880 -0.1751369 -0.4121417 -2.4542659 6 O -2.3712122 -0.2748482 -0.1614197 -0.2672493 -2.6763665 0.4481880 -0.1751369 0.4121417 -2.4542659 7 O -2.3712122 0.2748482 0.1614197 0.2672493 -2.6763665 0.4481880 0.1751369 0.4121417 -2.4542659 8 O -2.3712122 -0.2748482 0.1614197 -0.2672493 -2.6763665 -0.4481880 0.1751369 -0.4121417 -2.4542659 9 O -2.3712122 0.2748482 -0.1614197 0.2672493 -2.6763665 -0.4481880 -0.1751369 -0.4121417 -2.4542659 10 O -2.3712122 -0.2748482 -0.1614197 -0.2672493 -2.6763665 0.4481880 -0.1751369 0.4121417 -2.4542659 11 O -2.3712122 0.2748482 0.1614197 0.2672493 -2.6763665 0.4481880 0.1751369 0.4121417 -2.4542659 12 O -2.3712122 -0.2748482 0.1614197 -0.2672493 -2.6763665 -0.4481880 0.1751369 -0.4121417 -2.4542659 13 O -2.5806249 0.1172507 -0.1682368 0.1724392 -2.6021208 0.0244511 -0.0766303 -0.0228392 -2.1134786 14 O -2.5806249 -0.1172507 -0.1682368 -0.1724392 -2.6021208 -0.0244511 -0.0766303 0.0228392 -2.1134786 15 O -2.5806249 0.1172507 0.1682368 0.1724392 -2.6021208 -0.0244511 0.0766303 0.0228392 -2.1134786 16 O -2.5806249 -0.1172507 0.1682368 -0.1724392 -2.6021208 0.0244511 0.0766303 -0.0228392 -2.1134786 17 O -2.5806249 -0.1172507 0.1682368 -0.1724392 -2.6021208 0.0244511 0.0766303 -0.0228392 -2.1134786 18 O -2.5806249 0.1172507 0.1682368 0.1724392 -2.6021208 -0.0244511 0.0766303 0.0228392 -2.1134786 19 O -2.5806249 -0.1172507 -0.1682368 -0.1724392 -2.6021208 -0.0244511 -0.0766303 0.0228392 -2.1134786 20 O -2.5806249 0.1172507 -0.1682368 0.1724392 -2.6021208 0.0244511 -0.0766303 -0.0228392 -2.1134786 21 Zn 1.9782879 0.0000000 0.3026163 0.0000000 2.2988055 0.0000000 0.2818724 0.0000000 1.8571465 22 Zn 1.9782879 0.0000000 0.3026163 0.0000000 2.2988055 0.0000000 0.2818724 0.0000000 1.8571465 23 Zn 1.9782879 0.0000000 -0.3026163 0.0000000 2.2988055 0.0000000 -0.2818724 0.0000000 1.8571465 24 Zn 1.9782879 0.0000000 -0.3026163 0.0000000 2.2988055 0.0000000 -0.2818724 0.0000000 1.8571465 25 Ba 2.9045729 0.0000000 0.1379736 0.0000000 2.9641971 0.0000000 0.0860149 0.0000000 2.6232767 26 Ba 2.9045729 0.0000000 -0.1379736 0.0000000 2.9641971 0.0000000 -0.0860149 0.0000000 2.6232767 27 Ba 2.9045729 0.0000000 -0.1379736 0.0000000 2.9641971 0.0000000 -0.0860149 0.0000000 2.6232767 28 Ba 2.9045729 0.0000000 0.1379736 0.0000000 2.9641971 0.0000000 0.0860149 0.0000000 2.6232767 29 Er 3.9576320 0.0000000 0.0022961 0.0000000 3.6611022 0.0000000 -0.0965030 0.0000000 3.7830017 30 Er 3.6134751 0.0000000 -0.0906479 0.0000000 3.6905327 0.0000000 -0.1214549 0.0000000 3.7271676 31 Er 3.6134751 0.0000000 0.0906479 0.0000000 3.6905327 0.0000000 0.1214549 0.0000000 3.7271676 32 Er 3.6134751 0.0000000 0.0906479 0.0000000 3.6905327 0.0000000 0.1214549 0.0000000 3.7271676 33 Er 3.9576320 0.0000000 0.0022961 0.0000000 3.6611022 0.0000000 -0.0965030 0.0000000 3.7830017 34 Er 3.9576320 0.0000000 -0.0022961 0.0000000 3.6611022 0.0000000 0.0965030 0.0000000 3.7830017 35 Er 3.9576320 0.0000000 -0.0022961 0.0000000 3.6611022 0.0000000 0.0965030 0.0000000 3.7830017 36 Er 3.6134751 0.0000000 -0.0906479 0.0000000 3.6905327 0.0000000 -0.1214549 0.0000000 3.7271676 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 117, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (yzy) 0.00000003 (yzy) 0.00000003 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:45:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:45:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.181384920000003 0.000000000000000 0.000000000000000 b 0.000000000000000 5.644385910000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.976038869999998 Atomic positions (fractional): 1 O 0.60159908943514 0.25000000000000 0.42140705714345 15.999 2 O 0.39840091056486 0.75000000000000 0.57859294285655 15.999 3 O 0.89840091056486 0.75000000000000 0.92140705714345 15.999 4 O 0.10159908943514 0.25000000000000 0.07859294285655 15.999 5 O 0.27553711906083 0.99940640892267 0.86129998012408 15.999 6 O 0.72446288093917 0.49940640892267 0.13870001987592 15.999 7 O 0.22446288093917 0.00059359107733 0.36129998012408 15.999 8 O 0.77553711906083 0.50059359107733 0.63870001987592 15.999 9 O 0.72446288093917 0.00059359107733 0.13870001987592 15.999 10 O 0.27553711906083 0.50059359107733 0.86129998012408 15.999 11 O 0.77553711906083 0.99940640892267 0.63870001987592 15.999 12 O 0.22446288093917 0.49940640892267 0.36129998012408 15.999 13 O 0.06543383056282 0.49941105233319 0.66432425239129 15.999 14 O 0.93456616943718 0.99941105233319 0.33567574760871 15.999 15 O 0.43456616943718 0.50058894766681 0.16432425239129 15.999 16 O 0.56543383056282 0.00058894766681 0.83567574760871 15.999 17 O 0.43456616943718 0.99941105233319 0.16432425239129 15.999 18 O 0.56543383056282 0.49941105233319 0.83567574760871 15.999 19 O 0.06543383056282 0.00058894766681 0.66432425239129 15.999 20 O 0.93456616943718 0.50058894766681 0.33567574760871 15.999 21 Zn 0.15083035562141 0.25000000000000 0.80907328570507 65.380 22 Zn 0.84916964437859 0.75000000000000 0.19092671429493 65.380 23 Zn 0.34916964437859 0.75000000000000 0.30907328570507 65.380 24 Zn 0.65083035562141 0.25000000000000 0.69092671429493 65.380 25 Ba 0.10102049700047 0.75000000000000 0.07774017940502 137.327 26 Ba 0.60102049700047 0.75000000000000 0.42225982059498 137.327 27 Ba 0.39897950299953 0.25000000000000 0.57774017940502 137.327 28 Ba 0.89897950299953 0.25000000000000 0.92225982059498 137.327 29 Er 0.07456500270702 0.25000000000000 0.40134594305515 167.259 30 Er 0.20787447125584 0.75000000000000 0.62067662506578 167.259 31 Er 0.70787447125584 0.75000000000000 0.87932337493422 167.259 32 Er 0.29212552874416 0.25000000000000 0.12067662506578 167.259 33 Er 0.92543499729298 0.75000000000000 0.59865405694485 167.259 34 Er 0.42543499729298 0.75000000000000 0.90134594305515 167.259 35 Er 0.57456500270702 0.25000000000000 0.09865405694485 167.259 36 Er 0.79212552874416 0.25000000000000 0.37932337493422 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.181384920000003 0.000000000000000 0.000000000000000 b 0.000000000000000 11.288771819999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.952077739999996 Atomic positions (fractional): 1 O 0.60159908943514 0.12500000000000 0.21070352857172 15.999 > 1 2 O 0.60159908943514 0.62500000000000 0.21070352857172 15.999 > 1 3 O 0.60159908943514 0.12500000000000 0.71070352857172 15.999 > 1 4 O 0.60159908943514 0.62500000000000 0.71070352857172 15.999 > 1 5 O 0.39840091056486 0.37500000000000 0.28929647142828 15.999 > 5 6 O 0.39840091056486 0.87500000000000 0.28929647142828 15.999 > 5 7 O 0.39840091056486 0.37500000000000 0.78929647142828 15.999 > 5 8 O 0.39840091056486 0.87500000000000 0.78929647142828 15.999 > 5 9 O 0.89840091056486 0.37500000000000 0.46070352857172 15.999 > 9 10 O 0.89840091056486 0.87500000000000 0.46070352857172 15.999 > 9 11 O 0.89840091056486 0.37500000000000 0.96070352857172 15.999 > 9 12 O 0.89840091056486 0.87500000000000 0.96070352857172 15.999 > 9 13 O 0.10159908943514 0.12500000000000 0.03929647142828 15.999 > 13 14 O 0.10159908943514 0.62500000000000 0.03929647142828 15.999 > 13 15 O 0.10159908943514 0.12500000000000 0.53929647142828 15.999 > 13 16 O 0.10159908943514 0.62500000000000 0.53929647142828 15.999 > 13 17 O 0.27553711906083 0.49970320446134 0.43064999006204 15.999 > 17 18 O 0.27553711906083 0.99970320446134 0.43064999006204 15.999 > 17 19 O 0.27553711906083 0.49970320446134 0.93064999006204 15.999 > 17 20 O 0.27553711906083 0.99970320446134 0.93064999006204 15.999 > 17 21 O 0.72446288093917 0.24970320446134 0.06935000993796 15.999 > 21 22 O 0.72446288093917 0.74970320446134 0.06935000993796 15.999 > 21 23 O 0.72446288093917 0.24970320446134 0.56935000993796 15.999 > 21 24 O 0.72446288093917 0.74970320446134 0.56935000993796 15.999 > 21 25 O 0.22446288093917 0.00029679553866 0.18064999006204 15.999 > 25 26 O 0.22446288093917 0.50029679553866 0.18064999006204 15.999 > 25 27 O 0.22446288093917 0.00029679553866 0.68064999006204 15.999 > 25 28 O 0.22446288093917 0.50029679553866 0.68064999006204 15.999 > 25 29 O 0.77553711906083 0.25029679553866 0.31935000993796 15.999 > 29 30 O 0.77553711906083 0.75029679553866 0.31935000993796 15.999 > 29 31 O 0.77553711906083 0.25029679553866 0.81935000993796 15.999 > 29 32 O 0.77553711906083 0.75029679553866 0.81935000993796 15.999 > 29 33 O 0.72446288093917 0.00029679553866 0.06935000993796 15.999 > 33 34 O 0.72446288093917 0.50029679553866 0.06935000993796 15.999 > 33 35 O 0.72446288093917 0.00029679553866 0.56935000993796 15.999 > 33 36 O 0.72446288093917 0.50029679553866 0.56935000993796 15.999 > 33 37 O 0.27553711906083 0.25029679553866 0.43064999006204 15.999 > 37 38 O 0.27553711906083 0.75029679553866 0.43064999006204 15.999 > 37 39 O 0.27553711906083 0.25029679553866 0.93064999006204 15.999 > 37 40 O 0.27553711906083 0.75029679553866 0.93064999006204 15.999 > 37 41 O 0.77553711906083 0.49970320446134 0.31935000993796 15.999 > 41 42 O 0.77553711906083 0.99970320446134 0.31935000993796 15.999 > 41 43 O 0.77553711906083 0.49970320446134 0.81935000993796 15.999 > 41 44 O 0.77553711906083 0.99970320446134 0.81935000993796 15.999 > 41 45 O 0.22446288093917 0.24970320446134 0.18064999006204 15.999 > 45 46 O 0.22446288093917 0.74970320446134 0.18064999006204 15.999 > 45 47 O 0.22446288093917 0.24970320446134 0.68064999006204 15.999 > 45 48 O 0.22446288093917 0.74970320446134 0.68064999006204 15.999 > 45 49 O 0.06543383056282 0.24970552616660 0.33216212619565 15.999 > 49 50 O 0.06543383056282 0.74970552616660 0.33216212619565 15.999 > 49 51 O 0.06543383056282 0.24970552616660 0.83216212619565 15.999 > 49 52 O 0.06543383056282 0.74970552616660 0.83216212619565 15.999 > 49 53 O 0.93456616943718 0.49970552616660 0.16783787380435 15.999 > 53 54 O 0.93456616943718 0.99970552616660 0.16783787380435 15.999 > 53 55 O 0.93456616943718 0.49970552616660 0.66783787380435 15.999 > 53 56 O 0.93456616943718 0.99970552616660 0.66783787380435 15.999 > 53 57 O 0.43456616943718 0.25029447383340 0.08216212619565 15.999 > 57 58 O 0.43456616943718 0.75029447383340 0.08216212619565 15.999 > 57 59 O 0.43456616943718 0.25029447383340 0.58216212619565 15.999 > 57 60 O 0.43456616943718 0.75029447383340 0.58216212619565 15.999 > 57 61 O 0.56543383056282 0.00029447383340 0.41783787380435 15.999 > 61 62 O 0.56543383056282 0.50029447383340 0.41783787380435 15.999 > 61 63 O 0.56543383056282 0.00029447383340 0.91783787380435 15.999 > 61 64 O 0.56543383056282 0.50029447383340 0.91783787380435 15.999 > 61 65 O 0.43456616943718 0.49970552616660 0.08216212619565 15.999 > 65 66 O 0.43456616943718 0.99970552616660 0.08216212619565 15.999 > 65 67 O 0.43456616943718 0.49970552616660 0.58216212619565 15.999 > 65 68 O 0.43456616943718 0.99970552616660 0.58216212619565 15.999 > 65 69 O 0.56543383056282 0.24970552616660 0.41783787380435 15.999 > 69 70 O 0.56543383056282 0.74970552616660 0.41783787380435 15.999 > 69 71 O 0.56543383056282 0.24970552616660 0.91783787380435 15.999 > 69 72 O 0.56543383056282 0.74970552616660 0.91783787380435 15.999 > 69 73 O 0.06543383056282 0.00029447383340 0.33216212619565 15.999 > 73 74 O 0.06543383056282 0.50029447383340 0.33216212619565 15.999 > 73 75 O 0.06543383056282 0.00029447383340 0.83216212619565 15.999 > 73 76 O 0.06543383056282 0.50029447383340 0.83216212619565 15.999 > 73 77 O 0.93456616943718 0.25029447383340 0.16783787380435 15.999 > 77 78 O 0.93456616943718 0.75029447383340 0.16783787380435 15.999 > 77 79 O 0.93456616943718 0.25029447383340 0.66783787380435 15.999 > 77 80 O 0.93456616943718 0.75029447383340 0.66783787380435 15.999 > 77 81 Zn 0.15083035562141 0.12500000000000 0.40453664285253 65.380 > 81 82 Zn 0.15083035562141 0.62500000000000 0.40453664285253 65.380 > 81 83 Zn 0.15083035562141 0.12500000000000 0.90453664285253 65.380 > 81 84 Zn 0.15083035562141 0.62500000000000 0.90453664285253 65.380 > 81 85 Zn 0.84916964437859 0.37500000000000 0.09546335714746 65.380 > 85 86 Zn 0.84916964437859 0.87500000000000 0.09546335714746 65.380 > 85 87 Zn 0.84916964437859 0.37500000000000 0.59546335714747 65.380 > 85 88 Zn 0.84916964437859 0.87500000000000 0.59546335714747 65.380 > 85 89 Zn 0.34916964437859 0.37500000000000 0.15453664285253 65.380 > 89 90 Zn 0.34916964437859 0.87500000000000 0.15453664285253 65.380 > 89 91 Zn 0.34916964437859 0.37500000000000 0.65453664285253 65.380 > 89 92 Zn 0.34916964437859 0.87500000000000 0.65453664285253 65.380 > 89 93 Zn 0.65083035562141 0.12500000000000 0.34546335714747 65.380 > 93 94 Zn 0.65083035562141 0.62500000000000 0.34546335714747 65.380 > 93 95 Zn 0.65083035562141 0.12500000000000 0.84546335714747 65.380 > 93 96 Zn 0.65083035562141 0.62500000000000 0.84546335714747 65.380 > 93 97 Ba 0.10102049700047 0.37500000000000 0.03887008970251 137.327 > 97 98 Ba 0.10102049700047 0.87500000000000 0.03887008970251 137.327 > 97 99 Ba 0.10102049700047 0.37500000000000 0.53887008970251 137.327 > 97 100 Ba 0.10102049700047 0.87500000000000 0.53887008970251 137.327 > 97 101 Ba 0.60102049700047 0.37500000000000 0.21112991029749 137.327 > 101 102 Ba 0.60102049700047 0.87500000000000 0.21112991029749 137.327 > 101 103 Ba 0.60102049700047 0.37500000000000 0.71112991029749 137.327 > 101 104 Ba 0.60102049700047 0.87500000000000 0.71112991029749 137.327 > 101 105 Ba 0.39897950299953 0.12500000000000 0.28887008970251 137.327 > 105 106 Ba 0.39897950299953 0.62500000000000 0.28887008970251 137.327 > 105 107 Ba 0.39897950299953 0.12500000000000 0.78887008970251 137.327 > 105 108 Ba 0.39897950299953 0.62500000000000 0.78887008970251 137.327 > 105 109 Ba 0.89897950299953 0.12500000000000 0.46112991029749 137.327 > 109 110 Ba 0.89897950299953 0.62500000000000 0.46112991029749 137.327 > 109 111 Ba 0.89897950299953 0.12500000000000 0.96112991029749 137.327 > 109 112 Ba 0.89897950299953 0.62500000000000 0.96112991029749 137.327 > 109 113 Er 0.07456500270702 0.12500000000000 0.20067297152757 167.259 > 113 114 Er 0.07456500270702 0.62500000000000 0.20067297152757 167.259 > 113 115 Er 0.07456500270702 0.12500000000000 0.70067297152757 167.259 > 113 116 Er 0.07456500270702 0.62500000000000 0.70067297152757 167.259 > 113 117 Er 0.20787447125584 0.37500000000000 0.31033831253289 167.259 > 117 118 Er 0.20787447125584 0.87500000000000 0.31033831253289 167.259 > 117 119 Er 0.20787447125584 0.37500000000000 0.81033831253289 167.259 > 117 120 Er 0.20787447125584 0.87500000000000 0.81033831253289 167.259 > 117 121 Er 0.70787447125584 0.37500000000000 0.43966168746711 167.259 > 121 122 Er 0.70787447125584 0.87500000000000 0.43966168746711 167.259 > 121 123 Er 0.70787447125584 0.37500000000000 0.93966168746711 167.259 > 121 124 Er 0.70787447125584 0.87500000000000 0.93966168746711 167.259 > 121 125 Er 0.29212552874416 0.12500000000000 0.06033831253289 167.259 > 125 126 Er 0.29212552874416 0.62500000000000 0.06033831253289 167.259 > 125 127 Er 0.29212552874416 0.12500000000000 0.56033831253289 167.259 > 125 128 Er 0.29212552874416 0.62500000000000 0.56033831253289 167.259 > 125 129 Er 0.92543499729298 0.37500000000000 0.29932702847243 167.259 > 129 130 Er 0.92543499729298 0.87500000000000 0.29932702847243 167.259 > 129 131 Er 0.92543499729298 0.37500000000000 0.79932702847243 167.259 > 129 132 Er 0.92543499729298 0.87500000000000 0.79932702847243 167.259 > 129 133 Er 0.42543499729298 0.37500000000000 0.45067297152757 167.259 > 133 134 Er 0.42543499729298 0.87500000000000 0.45067297152757 167.259 > 133 135 Er 0.42543499729298 0.37500000000000 0.95067297152757 167.259 > 133 136 Er 0.42543499729298 0.87500000000000 0.95067297152757 167.259 > 133 137 Er 0.57456500270702 0.12500000000000 0.04932702847243 167.259 > 137 138 Er 0.57456500270702 0.62500000000000 0.04932702847243 167.259 > 137 139 Er 0.57456500270702 0.12500000000000 0.54932702847243 167.259 > 137 140 Er 0.57456500270702 0.62500000000000 0.54932702847243 167.259 > 137 141 Er 0.79212552874416 0.12500000000000 0.18966168746711 167.259 > 141 142 Er 0.79212552874416 0.62500000000000 0.18966168746711 167.259 > 141 143 Er 0.79212552874416 0.12500000000000 0.68966168746711 167.259 > 141 144 Er 0.79212552874416 0.62500000000000 0.68966168746711 167.259 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.6370035 0.0000000 0.0000000 0.0000000 4.5980231 0.0000000 0.0000000 0.0000000 4.5399955 -------------------------- Born effective charges -------------------------- 1 O -2.5502938 0.0000000 -0.0619275 0.0000000 -2.0576628 0.0000000 -0.0394817 0.0000000 -2.8551036 2 O -2.5502938 0.0000000 -0.0619275 0.0000000 -2.0576628 0.0000000 -0.0394817 0.0000000 -2.8551036 3 O -2.5502938 0.0000000 0.0619275 0.0000000 -2.0576628 0.0000000 0.0394817 0.0000000 -2.8551036 4 O -2.5502938 0.0000000 0.0619275 0.0000000 -2.0576628 0.0000000 0.0394817 0.0000000 -2.8551036 5 O -2.3712122 0.2748482 -0.1614197 0.2672493 -2.6763665 -0.4481880 -0.1751369 -0.4121417 -2.4542659 6 O -2.3712122 -0.2748482 -0.1614197 -0.2672493 -2.6763665 0.4481880 -0.1751369 0.4121417 -2.4542659 7 O -2.3712122 0.2748482 0.1614197 0.2672493 -2.6763665 0.4481880 0.1751369 0.4121417 -2.4542659 8 O -2.3712122 -0.2748482 0.1614197 -0.2672493 -2.6763665 -0.4481880 0.1751369 -0.4121417 -2.4542659 9 O -2.3712122 0.2748482 -0.1614197 0.2672493 -2.6763665 -0.4481880 -0.1751369 -0.4121417 -2.4542659 10 O -2.3712122 -0.2748482 -0.1614197 -0.2672493 -2.6763665 0.4481880 -0.1751369 0.4121417 -2.4542659 11 O -2.3712122 0.2748482 0.1614197 0.2672493 -2.6763665 0.4481880 0.1751369 0.4121417 -2.4542659 12 O -2.3712122 -0.2748482 0.1614197 -0.2672493 -2.6763665 -0.4481880 0.1751369 -0.4121417 -2.4542659 13 O -2.5806249 0.1172507 -0.1682368 0.1724392 -2.6021208 0.0244511 -0.0766303 -0.0228392 -2.1134786 14 O -2.5806249 -0.1172507 -0.1682368 -0.1724392 -2.6021208 -0.0244511 -0.0766303 0.0228392 -2.1134786 15 O -2.5806249 0.1172507 0.1682368 0.1724392 -2.6021208 -0.0244511 0.0766303 0.0228392 -2.1134786 16 O -2.5806249 -0.1172507 0.1682368 -0.1724392 -2.6021208 0.0244511 0.0766303 -0.0228392 -2.1134786 17 O -2.5806249 -0.1172507 0.1682368 -0.1724392 -2.6021208 0.0244511 0.0766303 -0.0228392 -2.1134786 18 O -2.5806249 0.1172507 0.1682368 0.1724392 -2.6021208 -0.0244511 0.0766303 0.0228392 -2.1134786 19 O -2.5806249 -0.1172507 -0.1682368 -0.1724392 -2.6021208 -0.0244511 -0.0766303 0.0228392 -2.1134786 20 O -2.5806249 0.1172507 -0.1682368 0.1724392 -2.6021208 0.0244511 -0.0766303 -0.0228392 -2.1134786 21 Zn 1.9782879 0.0000000 0.3026163 0.0000000 2.2988055 0.0000000 0.2818724 0.0000000 1.8571465 22 Zn 1.9782879 0.0000000 0.3026163 0.0000000 2.2988055 0.0000000 0.2818724 0.0000000 1.8571465 23 Zn 1.9782879 0.0000000 -0.3026163 0.0000000 2.2988055 0.0000000 -0.2818724 0.0000000 1.8571465 24 Zn 1.9782879 0.0000000 -0.3026163 0.0000000 2.2988055 0.0000000 -0.2818724 0.0000000 1.8571465 25 Ba 2.9045729 0.0000000 0.1379736 0.0000000 2.9641971 0.0000000 0.0860149 0.0000000 2.6232767 26 Ba 2.9045729 0.0000000 -0.1379736 0.0000000 2.9641971 0.0000000 -0.0860149 0.0000000 2.6232767 27 Ba 2.9045729 0.0000000 -0.1379736 0.0000000 2.9641971 0.0000000 -0.0860149 0.0000000 2.6232767 28 Ba 2.9045729 0.0000000 0.1379736 0.0000000 2.9641971 0.0000000 0.0860149 0.0000000 2.6232767 29 Er 3.9576320 0.0000000 0.0022961 0.0000000 3.6611022 0.0000000 -0.0965030 0.0000000 3.7830017 30 Er 3.6134751 0.0000000 -0.0906479 0.0000000 3.6905327 0.0000000 -0.1214549 0.0000000 3.7271676 31 Er 3.6134751 0.0000000 0.0906479 0.0000000 3.6905327 0.0000000 0.1214549 0.0000000 3.7271676 32 Er 3.6134751 0.0000000 0.0906479 0.0000000 3.6905327 0.0000000 0.1214549 0.0000000 3.7271676 33 Er 3.9576320 0.0000000 0.0022961 0.0000000 3.6611022 0.0000000 -0.0965030 0.0000000 3.7830017 34 Er 3.9576320 0.0000000 -0.0022961 0.0000000 3.6611022 0.0000000 0.0965030 0.0000000 3.7830017 35 Er 3.9576320 0.0000000 -0.0022961 0.0000000 3.6611022 0.0000000 0.0965030 0.0000000 3.7830017 36 Er 3.6134751 0.0000000 -0.0906479 0.0000000 3.6905327 0.0000000 -0.1214549 0.0000000 3.7271676 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (yzy) 0.00000003 (yzy) 0.00000003 (yyz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 ... [ 4 9 7 ] 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: 0.53, Number of G-points: 291, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.639 ( 0.000 0.000 0.000) 0.000 1.847 ( 0.000 0.000 0.000) 0.000 1.870 ( 0.000 0.000 0.000) 0.000 2.219 ( 0.000 0.000 0.000) 0.000 2.339 ( 0.000 0.000 0.000) 0.000 2.626 ( 0.000 0.000 0.000) 0.000 2.738 ( 0.000 0.000 0.000) 0.000 2.815 ( 0.000 0.000 0.000) 0.000 2.912 ( 0.000 0.000 0.000) 0.000 2.923 ( 0.000 0.000 0.000) 0.000 2.973 ( 0.000 0.000 0.000) 0.000 3.068 ( 0.000 0.000 0.000) 0.000 3.141 ( 0.000 0.000 0.000) 0.000 3.178 ( 0.000 0.000 0.000) 0.000 3.291 ( 0.000 0.000 0.000) 0.000 3.341 ( 0.000 0.000 0.000) 0.000 3.427 ( 0.000 0.000 0.000) 0.000 3.587 ( 0.000 0.000 0.000) 0.000 3.598 ( 0.000 0.000 0.000) 0.000 3.661 ( 0.000 0.000 0.000) 0.000 3.703 ( 0.000 0.000 0.000) 0.000 3.713 ( 0.000 0.000 0.000) 0.000 3.936 ( 0.000 0.000 0.000) 0.000 4.003 ( 0.000 0.000 0.000) 0.000 4.041 ( 0.000 0.000 0.000) 0.000 4.114 ( 0.000 0.000 0.000) 0.000 4.208 ( 0.000 0.000 0.000) 0.000 4.304 ( 0.000 0.000 0.000) 0.000 4.333 ( 0.000 0.000 0.000) 0.000 4.494 ( 0.000 0.000 0.000) 0.000 4.555 ( 0.000 0.000 0.000) 0.000 4.638 ( 0.000 0.000 0.000) 0.000 4.663 ( 0.000 0.000 0.000) 0.000 4.746 ( 0.000 0.000 0.000) 0.000 4.911 ( 0.000 0.000 0.000) 0.000 5.113 ( 0.000 0.000 0.000) 0.000 5.153 ( 0.000 0.000 0.000) 0.000 5.201 ( 0.000 0.000 0.000) 0.000 5.464 ( 0.000 0.000 0.000) 0.000 5.485 ( 0.000 0.000 0.000) 0.000 5.629 ( 0.000 0.000 0.000) 0.000 5.648 ( 0.000 0.000 0.000) 0.000 5.721 ( 0.000 0.000 0.000) 0.000 6.026 ( 0.000 0.000 0.000) 0.000 6.247 ( 0.000 0.000 0.000) 0.000 6.247 ( 0.000 0.000 0.000) 0.000 6.720 ( 0.000 0.000 0.000) 0.000 6.799 ( 0.000 0.000 0.000) 0.000 7.116 ( 0.000 0.000 0.000) 0.000 7.200 ( 0.000 0.000 0.000) 0.000 7.398 ( 0.000 0.000 0.000) 0.000 7.549 ( 0.000 0.000 0.000) 0.000 7.737 ( 0.000 0.000 0.000) 0.000 8.022 ( 0.000 0.000 0.000) 0.000 8.101 ( 0.000 0.000 0.000) 0.000 8.150 ( 0.000 0.000 0.000) 0.000 8.163 ( 0.000 0.000 0.000) 0.000 8.209 ( 0.000 0.000 0.000) 0.000 8.359 ( 0.000 0.000 0.000) 0.000 8.490 ( 0.000 0.000 0.000) 0.000 8.493 ( 0.000 0.000 0.000) 0.000 8.663 ( 0.000 0.000 0.000) 0.000 8.837 ( 0.000 0.000 0.000) 0.000 8.880 ( 0.000 0.000 0.000) 0.000 9.115 ( 0.000 0.000 0.000) 0.000 9.215 ( 0.000 0.000 0.000) 0.000 9.376 ( 0.000 0.000 0.000) 0.000 9.645 ( 0.000 0.000 0.000) 0.000 10.311 ( 0.000 0.000 0.000) 0.000 10.455 ( 0.000 0.000 0.000) 0.000 10.543 ( 0.000 0.000 0.000) 0.000 10.617 ( 0.000 0.000 0.000) 0.000 10.657 ( 0.000 0.000 0.000) 0.000 10.689 ( 0.000 0.000 0.000) 0.000 10.698 ( 0.000 0.000 0.000) 0.000 10.814 ( 0.000 0.000 0.000) 0.000 11.357 ( 0.000 0.000 0.000) 0.000 11.522 ( 0.000 0.000 0.000) 0.000 11.596 ( 0.000 0.000 0.000) 0.000 11.661 ( 0.000 0.000 0.000) 0.000 11.769 ( 0.000 0.000 0.000) 0.000 12.007 ( 0.000 0.000 0.000) 0.000 12.359 ( 0.000 0.000 0.000) 0.000 12.580 ( 0.000 0.000 0.000) 0.000 13.081 ( 0.000 0.000 0.000) 0.000 13.083 ( 0.000 0.000 0.000) 0.000 13.558 ( 0.000 0.000 0.000) 0.000 13.618 ( 0.000 0.000 0.000) 0.000 13.718 ( 0.000 0.000 0.000) 0.000 13.879 ( 0.000 0.000 0.000) 0.000 14.025 ( 0.000 0.000 0.000) 0.000 14.480 ( 0.000 0.000 0.000) 0.000 14.588 ( 0.000 0.000 0.000) 0.000 14.875 ( 0.000 0.000 0.000) 0.000 15.245 ( 0.000 0.000 0.000) 0.000 15.748 ( 0.000 0.000 0.000) 0.000 15.864 ( 0.000 0.000 0.000) 0.000 16.400 ( 0.000 0.000 0.000) 0.000 16.585 ( 0.000 0.000 0.000) 0.000 17.080 ( 0.000 0.000 0.000) 0.000 17.430 ( 0.000 0.000 0.000) 0.000 17.638 ( 0.000 0.000 0.000) 0.000 17.640 ( 0.000 0.000 0.000) 0.000 17.986 ( 0.000 0.000 0.000) 0.000 18.111 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( 22.266 0.000 0.000) 22.266 0.666 ( 31.153 0.000 0.000) 31.153 1.098 ( 51.376 0.000 0.000) 51.376 1.326 ( -19.554 0.000 0.000) 19.554 1.700 ( -13.170 0.000 0.000) 13.170 2.172 ( 18.311 0.000 0.000) 18.311 2.259 ( 1.858 0.000 0.000) 1.858 2.323 ( -1.622 0.000 0.000) 1.622 2.652 ( 2.577 0.000 0.000) 2.577 2.744 ( -0.124 0.000 0.000) 0.124 2.805 ( -9.411 0.000 0.000) 9.411 2.864 ( -6.502 0.000 0.000) 6.502 2.905 ( -9.902 0.000 0.000) 9.902 2.955 ( 7.058 0.000 0.000) 7.058 2.981 ( 0.556 0.000 0.000) 0.556 3.122 ( -2.953 0.000 0.000) 2.953 3.140 ( -26.862 0.000 0.000) 26.862 3.297 ( 8.854 0.000 0.000) 8.854 3.334 ( -18.316 0.000 0.000) 18.316 3.430 ( 5.183 0.000 0.000) 5.183 3.511 ( -1.693 0.000 0.000) 1.693 3.523 ( 8.868 0.000 0.000) 8.868 3.566 ( -3.135 0.000 0.000) 3.135 3.639 ( -5.317 0.000 0.000) 5.317 3.648 ( -2.665 0.000 0.000) 2.665 3.903 ( -7.119 0.000 0.000) 7.119 3.913 ( 12.925 0.000 0.000) 12.925 4.100 ( -0.158 0.000 0.000) 0.158 4.101 ( -1.140 0.000 0.000) 1.140 4.317 ( -2.927 0.000 0.000) 2.927 4.324 ( 1.848 0.000 0.000) 1.848 4.405 ( 0.792 0.000 0.000) 0.792 4.465 ( -5.748 0.000 0.000) 5.748 4.666 ( -7.637 0.000 0.000) 7.637 4.671 ( 17.581 0.000 0.000) 17.581 4.737 ( 4.636 0.000 0.000) 4.636 4.887 ( -2.220 0.000 0.000) 2.220 4.931 ( 14.109 0.000 0.000) 14.109 5.056 ( -4.622 0.000 0.000) 4.622 5.209 ( 2.256 0.000 0.000) 2.256 5.286 ( 7.889 0.000 0.000) 7.889 5.458 ( -1.481 0.000 0.000) 1.481 5.459 ( -0.482 0.000 0.000) 0.482 5.640 ( 1.209 0.000 0.000) 1.209 5.661 ( -5.711 0.000 0.000) 5.711 5.783 ( -4.254 0.000 0.000) 4.254 6.064 ( 4.402 0.000 0.000) 4.402 6.233 ( -1.643 0.000 0.000) 1.643 6.391 ( 11.239 0.000 0.000) 11.239 6.737 ( 0.374 0.000 0.000) 0.374 6.988 ( 16.983 0.000 0.000) 16.983 7.111 ( -0.250 0.000 0.000) 0.250 7.167 ( -2.934 0.000 0.000) 2.934 7.437 ( 2.914 0.000 0.000) 2.914 7.535 ( -1.353 0.000 0.000) 1.353 7.551 ( -13.774 0.000 0.000) 13.774 7.803 ( -13.832 0.000 0.000) 13.832 8.032 ( -15.603 0.000 0.000) 15.603 8.147 ( 1.669 0.000 0.000) 1.669 8.161 ( -0.184 0.000 0.000) 0.184 8.162 ( 3.839 0.000 0.000) 3.839 8.519 ( -10.481 0.000 0.000) 10.481 8.596 ( 7.995 0.000 0.000) 7.995 8.676 ( 10.592 0.000 0.000) 10.592 8.916 ( 7.300 0.000 0.000) 7.300 8.969 ( 6.426 0.000 0.000) 6.426 9.100 ( -1.904 0.000 0.000) 1.904 9.188 ( 2.839 0.000 0.000) 2.839 9.201 ( -0.094 0.000 0.000) 0.094 9.332 ( -3.937 0.000 0.000) 3.937 10.052 ( -4.226 0.000 0.000) 4.226 10.267 ( -8.798 0.000 0.000) 8.798 10.347 ( -11.721 0.000 0.000) 11.721 10.440 ( -13.135 0.000 0.000) 13.135 10.847 ( 12.696 0.000 0.000) 12.696 10.895 ( 11.344 0.000 0.000) 11.344 10.962 ( 7.592 0.000 0.000) 7.592 10.979 ( 20.366 0.000 0.000) 20.366 11.381 ( 1.901 0.000 0.000) 1.901 11.471 ( -10.494 0.000 0.000) 10.494 11.476 ( -3.206 0.000 0.000) 3.206 11.628 ( 2.133 0.000 0.000) 2.133 11.741 ( -2.658 0.000 0.000) 2.658 11.843 ( -14.412 0.000 0.000) 14.412 12.430 ( 5.673 0.000 0.000) 5.673 12.589 ( -0.281 0.000 0.000) 0.281 13.044 ( -2.382 0.000 0.000) 2.382 13.061 ( -1.918 0.000 0.000) 1.918 13.583 ( 2.406 0.000 0.000) 2.406 13.630 ( 1.068 0.000 0.000) 1.068 13.709 ( -0.836 0.000 0.000) 0.836 13.801 ( -5.814 0.000 0.000) 5.814 14.119 ( 7.899 0.000 0.000) 7.899 14.420 ( 9.595 0.000 0.000) 9.595 14.431 ( -4.701 0.000 0.000) 4.701 14.804 ( -6.417 0.000 0.000) 6.417 15.304 ( 5.343 0.000 0.000) 5.343 15.636 ( -8.825 0.000 0.000) 8.825 15.875 ( 1.037 0.000 0.000) 1.037 15.931 ( -1.092 0.000 0.000) 1.092 16.559 ( 11.906 0.000 0.000) 11.906 16.952 ( 2.016 0.000 0.000) 2.016 17.006 ( -6.268 0.000 0.000) 6.268 17.248 ( -12.570 0.000 0.000) 12.570 17.688 ( 7.157 0.000 0.000) 7.157 17.825 ( 9.485 0.000 0.000) 9.485 17.976 ( -4.515 0.000 0.000) 4.515 18.083 ( -2.847 0.000 0.000) 2.847 ======================= Grid point 2 (3/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -21.019 0.000 0.000) 21.019 0.909 ( 21.019 0.000 0.000) 21.019 1.249 ( -24.701 0.000 0.000) 24.701 1.249 ( 24.701 0.000 0.000) 24.701 2.148 ( -38.032 0.000 0.000) 38.032 2.148 ( 38.032 0.000 0.000) 38.032 2.337 ( -12.515 0.000 0.000) 12.515 2.337 ( 12.515 0.000 0.000) 12.515 2.534 ( -16.296 0.000 0.000) 16.296 2.534 ( 16.296 0.000 0.000) 16.296 2.738 ( -5.989 0.000 0.000) 5.989 2.738 ( 5.989 0.000 0.000) 5.989 2.797 ( -4.911 0.000 0.000) 4.911 2.797 ( 4.911 0.000 0.000) 4.911 3.016 ( -1.305 0.000 0.000) 1.305 3.016 ( 1.305 0.000 0.000) 1.305 3.157 ( -6.442 0.000 0.000) 6.442 3.157 ( 6.442 0.000 0.000) 6.442 3.463 ( -6.962 0.000 0.000) 6.962 3.463 ( 6.962 0.000 0.000) 6.962 3.536 ( -3.580 0.000 0.000) 3.580 3.536 ( 3.580 0.000 0.000) 3.580 3.551 ( -6.180 0.000 0.000) 6.180 3.551 ( 6.180 0.000 0.000) 6.180 3.728 ( -9.897 0.000 0.000) 9.897 3.728 ( 9.897 0.000 0.000) 9.897 4.083 ( -0.021 0.000 0.000) 0.021 4.083 ( 0.021 0.000 0.000) 0.021 4.168 ( -10.972 0.000 0.000) 10.972 4.168 ( 10.972 0.000 0.000) 10.972 4.375 ( -3.112 0.000 0.000) 3.112 4.375 ( 3.112 0.000 0.000) 3.112 4.500 ( -7.490 0.000 0.000) 7.490 4.500 ( 7.490 0.000 0.000) 7.490 4.825 ( -3.791 0.000 0.000) 3.791 4.825 ( 3.791 0.000 0.000) 3.791 4.924 ( -8.550 0.000 0.000) 8.550 4.924 ( 8.550 0.000 0.000) 8.550 5.174 ( -6.905 0.000 0.000) 6.905 5.174 ( 6.905 0.000 0.000) 6.905 5.448 ( -0.334 0.000 0.000) 0.334 5.448 ( 0.334 0.000 0.000) 0.334 5.491 ( -10.516 0.000 0.000) 10.516 5.491 ( 10.516 0.000 0.000) 10.516 5.688 ( -3.807 0.000 0.000) 3.807 5.688 ( 3.807 0.000 0.000) 3.807 6.169 ( -4.616 0.000 0.000) 4.616 6.169 ( 4.616 0.000 0.000) 4.616 6.639 ( -10.757 0.000 0.000) 10.757 6.639 ( 10.757 0.000 0.000) 10.757 7.119 ( -1.358 0.000 0.000) 1.358 7.119 ( 1.358 0.000 0.000) 1.358 7.327 ( -10.383 0.000 0.000) 10.383 7.327 ( 10.383 0.000 0.000) 10.383 7.495 ( -2.494 0.000 0.000) 2.494 7.495 ( 2.494 0.000 0.000) 2.494 7.699 ( -9.661 0.000 0.000) 9.661 7.699 ( 9.661 0.000 0.000) 9.661 8.156 ( -0.273 0.000 0.000) 0.273 8.156 ( 0.273 0.000 0.000) 0.273 8.310 ( -9.190 0.000 0.000) 9.190 8.310 ( 9.190 0.000 0.000) 9.190 8.746 ( -4.367 0.000 0.000) 4.367 8.746 ( 4.367 0.000 0.000) 4.367 9.062 ( -2.010 0.000 0.000) 2.010 9.062 ( 2.010 0.000 0.000) 2.010 9.102 ( -9.233 0.000 0.000) 9.233 9.102 ( 9.233 0.000 0.000) 9.233 9.242 ( -3.928 0.000 0.000) 3.928 9.242 ( 3.928 0.000 0.000) 3.928 10.159 ( -12.417 0.000 0.000) 12.417 10.159 ( 12.417 0.000 0.000) 12.417 10.191 ( -2.173 0.000 0.000) 2.173 10.191 ( 2.173 0.000 0.000) 2.173 11.021 ( -2.894 0.000 0.000) 2.894 11.021 ( 2.894 0.000 0.000) 2.894 11.143 ( -11.022 0.000 0.000) 11.022 11.143 ( 11.022 0.000 0.000) 11.022 11.419 ( -2.035 0.000 0.000) 2.035 11.419 ( 2.035 0.000 0.000) 2.035 11.484 ( -18.201 0.000 0.000) 18.201 11.484 ( 18.201 0.000 0.000) 18.201 11.678 ( -2.887 0.000 0.000) 2.887 11.678 ( 2.887 0.000 0.000) 2.887 12.541 ( -4.326 0.000 0.000) 4.326 12.541 ( 4.326 0.000 0.000) 4.326 13.026 ( -0.820 0.000 0.000) 0.820 13.026 ( 0.820 0.000 0.000) 0.820 13.640 ( -1.527 0.000 0.000) 1.527 13.640 ( 1.527 0.000 0.000) 1.527 13.703 ( -1.952 0.000 0.000) 1.952 13.703 ( 1.952 0.000 0.000) 1.952 14.295 ( -8.238 0.000 0.000) 8.238 14.295 ( 8.238 0.000 0.000) 8.238 14.631 ( -10.029 0.000 0.000) 10.029 14.631 ( 10.029 0.000 0.000) 10.029 15.450 ( -8.557 0.000 0.000) 8.557 15.450 ( 8.557 0.000 0.000) 8.557 15.902 ( -1.540 0.000 0.000) 1.540 15.902 ( 1.540 0.000 0.000) 1.540 16.822 ( -12.051 0.000 0.000) 12.051 16.822 ( 12.051 0.000 0.000) 12.051 17.034 ( -6.797 0.000 0.000) 6.797 17.034 ( 6.797 0.000 0.000) 6.797 17.848 ( -7.550 0.000 0.000) 7.550 17.848 ( 7.550 0.000 0.000) 7.550 17.989 ( -6.348 0.000 0.000) 6.348 17.989 ( 6.348 0.000 0.000) 6.348 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 0.000 22.957 0.000) 22.957 0.512 ( 0.000 25.954 0.000) 25.954 1.189 ( 0.000 58.710 0.000) 58.710 1.868 ( 0.000 2.189 0.000) 2.189 1.888 ( 0.000 19.998 0.000) 19.998 2.043 ( 0.000 13.826 0.000) 13.826 2.217 ( 0.000 -0.176 0.000) 0.176 2.350 ( 0.000 1.989 0.000) 1.989 2.653 ( 0.000 3.126 0.000) 3.126 2.679 ( 0.000 -4.238 0.000) 4.238 2.782 ( 0.000 -3.202 0.000) 3.202 2.903 ( 0.000 -3.011 0.000) 3.011 2.960 ( 0.000 1.421 0.000) 1.421 2.963 ( 0.000 -5.932 0.000) 5.932 3.040 ( 0.000 8.899 0.000) 8.899 3.146 ( 0.000 -2.815 0.000) 2.815 3.232 ( 0.000 -4.715 0.000) 4.715 3.281 ( 0.000 -8.164 0.000) 8.164 3.413 ( 0.000 4.919 0.000) 4.919 3.430 ( 0.000 2.174 0.000) 2.174 3.602 ( 0.000 -1.148 0.000) 1.148 3.652 ( 0.000 -2.027 0.000) 2.027 3.711 ( 0.000 -8.290 0.000) 8.290 3.759 ( 0.000 1.865 0.000) 1.865 3.775 ( 0.000 13.853 0.000) 13.853 3.907 ( 0.000 3.038 0.000) 3.038 3.998 ( 0.000 -3.131 0.000) 3.131 4.049 ( 0.000 10.006 0.000) 10.006 4.086 ( 0.000 -2.331 0.000) 2.331 4.125 ( 0.000 -1.592 0.000) 1.592 4.402 ( 0.000 -6.844 0.000) 6.844 4.526 ( 0.000 -4.485 0.000) 4.485 4.532 ( 0.000 19.957 0.000) 19.957 4.639 ( 0.000 6.042 0.000) 6.042 4.706 ( 0.000 -3.704 0.000) 3.704 4.770 ( 0.000 19.908 0.000) 19.908 4.786 ( 0.000 18.517 0.000) 18.517 5.058 ( 0.000 9.167 0.000) 9.167 5.136 ( 0.000 2.455 0.000) 2.455 5.173 ( 0.000 2.283 0.000) 2.283 5.289 ( 0.000 11.639 0.000) 11.639 5.480 ( 0.000 -0.601 0.000) 0.601 5.504 ( 0.000 -0.191 0.000) 0.191 5.587 ( 0.000 -3.594 0.000) 3.594 5.750 ( 0.000 11.274 0.000) 11.274 5.766 ( 0.000 4.770 0.000) 4.770 6.240 ( 0.000 -1.392 0.000) 1.392 6.328 ( 0.000 6.730 0.000) 6.730 6.406 ( 0.000 36.848 0.000) 36.848 6.851 ( 0.000 6.246 0.000) 6.246 7.168 ( 0.000 5.196 0.000) 5.196 7.192 ( 0.000 -0.822 0.000) 0.822 7.344 ( 0.000 -2.334 0.000) 2.334 7.528 ( 0.000 -2.095 0.000) 2.095 7.618 ( 0.000 18.482 0.000) 18.482 7.716 ( 0.000 -2.158 0.000) 2.158 7.864 ( 0.000 -7.689 0.000) 7.689 8.118 ( 0.000 -2.998 0.000) 2.998 8.126 ( 0.000 -2.904 0.000) 2.904 8.319 ( 0.000 13.328 0.000) 13.328 8.397 ( 0.000 4.620 0.000) 4.620 8.404 ( 0.000 4.443 0.000) 4.443 8.561 ( 0.000 6.087 0.000) 6.087 8.669 ( 0.000 0.584 0.000) 0.584 8.810 ( 0.000 -1.934 0.000) 1.934 9.050 ( 0.000 14.830 0.000) 14.830 9.321 ( 0.000 19.560 0.000) 19.560 9.365 ( 0.000 -1.722 0.000) 1.722 9.402 ( 0.000 17.068 0.000) 17.068 9.669 ( 0.000 3.228 0.000) 3.228 9.684 ( 0.000 6.188 0.000) 6.188 10.235 ( 0.000 -6.429 0.000) 6.429 10.538 ( 0.000 7.979 0.000) 7.979 10.575 ( 0.000 2.617 0.000) 2.617 10.637 ( 0.000 -1.347 0.000) 1.347 10.654 ( 0.000 -3.406 0.000) 3.406 10.901 ( 0.000 7.342 0.000) 7.342 10.921 ( 0.000 16.273 0.000) 16.273 11.348 ( 0.000 3.072 0.000) 3.072 11.626 ( 0.000 2.907 0.000) 2.907 11.649 ( 0.000 12.204 0.000) 12.204 11.650 ( 0.000 0.370 0.000) 0.370 11.841 ( 0.000 6.174 0.000) 6.174 12.017 ( 0.000 1.063 0.000) 1.063 12.454 ( 0.000 8.849 0.000) 8.849 12.569 ( 0.000 -0.981 0.000) 0.981 12.702 ( 0.000 6.474 0.000) 6.474 13.054 ( 0.000 -3.328 0.000) 3.328 13.536 ( 0.000 -1.991 0.000) 1.991 13.587 ( 0.000 -3.342 0.000) 3.342 13.666 ( 0.000 -5.262 0.000) 5.262 13.882 ( 0.000 0.859 0.000) 0.859 14.002 ( 0.000 -2.519 0.000) 2.519 14.478 ( 0.000 0.122 0.000) 0.122 14.609 ( 0.000 2.171 0.000) 2.171 14.870 ( 0.000 -0.210 0.000) 0.210 15.239 ( 0.000 -0.766 0.000) 0.766 15.695 ( 0.000 -5.259 0.000) 5.259 15.815 ( 0.000 -4.650 0.000) 4.650 16.429 ( 0.000 3.088 0.000) 3.088 16.504 ( 0.000 -8.180 0.000) 8.180 16.697 ( 0.000 3.765 0.000) 3.765 17.034 ( 0.000 -4.645 0.000) 4.645 17.401 ( 0.000 -3.683 0.000) 3.683 17.566 ( 0.000 -6.378 0.000) 6.378 17.573 ( 0.000 -6.451 0.000) 6.451 17.952 ( 0.000 -3.401 0.000) 3.401 18.067 ( 0.000 -4.515 0.000) 4.515 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.25 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 23.955 14.935 0.000) 28.229 0.959 ( 25.703 19.619 0.000) 32.335 1.421 ( 24.818 38.487 0.000) 45.795 1.641 ( -14.878 25.262 0.000) 29.317 1.745 ( -9.698 5.544 0.000) 11.171 2.235 ( 6.350 2.224 0.000) 6.728 2.242 ( 1.858 -1.141 0.000) 2.181 2.397 ( 7.551 8.862 0.000) 11.643 2.673 ( 1.884 2.571 0.000) 3.187 2.695 ( 1.154 -3.856 0.000) 4.025 2.855 ( -6.369 -0.446 0.000) 6.385 2.860 ( 3.225 -2.413 0.000) 4.028 2.884 ( -5.418 -4.022 0.000) 6.748 2.936 ( -6.172 5.678 0.000) 8.387 2.955 ( 0.629 -1.023 0.000) 1.201 3.092 ( -4.453 -0.365 0.000) 4.468 3.126 ( -16.278 -1.199 0.000) 16.322 3.295 ( -26.334 -2.250 0.000) 26.430 3.345 ( 5.956 -4.715 0.000) 7.596 3.427 ( 5.202 3.325 0.000) 6.173 3.544 ( 7.503 2.353 0.000) 7.863 3.562 ( -3.327 -2.126 0.000) 3.948 3.659 ( -1.814 9.941 0.000) 10.105 3.665 ( -2.178 1.381 0.000) 2.579 3.696 ( -1.974 -3.941 0.000) 4.408 3.902 ( -6.433 6.990 0.000) 9.499 3.985 ( 11.906 4.321 0.000) 12.666 4.072 ( -1.072 -1.902 0.000) 2.183 4.074 ( -0.946 -1.233 0.000) 1.554 4.320 ( -2.695 -2.580 0.000) 3.731 4.471 ( -2.831 1.639 0.000) 3.271 4.504 ( 9.161 7.007 0.000) 11.534 4.507 ( -5.191 -2.250 0.000) 5.657 4.590 ( 1.521 13.186 0.000) 13.273 4.752 ( 4.760 15.323 0.000) 16.045 4.878 ( 4.694 11.385 0.000) 12.314 4.944 ( 13.760 2.711 0.000) 14.025 5.031 ( -4.262 8.413 0.000) 9.431 5.089 ( -4.150 3.024 0.000) 5.135 5.204 ( 1.789 0.703 0.000) 1.922 5.352 ( 5.644 7.828 0.000) 9.650 5.455 ( -0.049 0.208 0.000) 0.214 5.480 ( -1.926 0.166 0.000) 1.933 5.652 ( 4.308 1.390 0.000) 4.526 5.710 ( -5.335 5.125 0.000) 7.398 5.770 ( -0.038 6.948 0.000) 6.948 6.240 ( 0.061 -0.514 0.000) 0.517 6.259 ( -2.035 11.418 0.000) 11.598 6.609 ( 14.716 27.401 0.000) 31.103 7.013 ( 11.652 3.690 0.000) 12.222 7.153 ( -2.523 1.728 0.000) 3.058 7.188 ( 4.207 7.419 0.000) 8.529 7.272 ( -9.978 25.446 0.000) 27.333 7.424 ( 0.312 3.159 0.000) 3.175 7.515 ( -0.954 -1.845 0.000) 2.077 7.589 ( -16.355 5.140 0.000) 17.144 7.758 ( -9.433 -3.396 0.000) 10.025 8.025 ( -11.261 -0.523 0.000) 11.273 8.120 ( 0.457 -2.774 0.000) 2.812 8.197 ( -7.372 3.254 0.000) 8.058 8.238 ( -0.308 6.791 0.000) 6.798 8.466 ( -3.234 -1.230 0.000) 3.460 8.679 ( 6.815 3.703 0.000) 7.756 8.775 ( 11.648 8.344 0.000) 14.329 8.879 ( 6.200 -2.170 0.000) 6.569 8.989 ( 2.189 7.055 0.000) 7.387 9.314 ( -0.701 19.085 0.000) 19.098 9.347 ( -1.024 1.006 0.000) 1.436 9.376 ( -2.042 16.250 0.000) 16.377 9.463 ( -2.930 20.314 0.000) 20.524 10.068 ( 1.867 1.800 0.000) 2.593 10.268 ( -10.288 2.790 0.000) 10.660 10.358 ( 1.161 -1.628 0.000) 2.000 10.532 ( -8.826 7.602 0.000) 11.649 10.861 ( 15.045 -6.744 0.000) 16.487 10.880 ( 12.244 1.152 0.000) 12.298 10.972 ( 11.772 0.798 0.000) 11.799 10.981 ( 6.180 11.257 0.000) 12.842 11.356 ( 0.738 1.837 0.000) 1.979 11.573 ( -3.185 7.444 0.000) 8.097 11.588 ( -4.170 6.223 0.000) 7.491 11.684 ( 1.817 7.083 0.000) 7.312 11.795 ( -3.187 6.052 0.000) 6.840 11.856 ( -13.805 1.197 0.000) 13.857 12.497 ( 3.575 6.490 0.000) 7.410 12.590 ( 0.751 0.288 0.000) 0.804 12.830 ( 6.727 -6.994 0.000) 9.704 13.016 ( -3.402 -4.496 0.000) 5.637 13.574 ( 3.641 -1.049 0.000) 3.789 13.598 ( 1.165 -4.003 0.000) 4.170 13.657 ( -0.896 -5.138 0.000) 5.216 13.823 ( -5.631 0.408 0.000) 5.646 14.087 ( 6.995 -1.128 0.000) 7.085 14.417 ( -5.729 -0.691 0.000) 5.771 14.543 ( 0.107 6.051 0.000) 6.052 14.800 ( -6.228 -0.516 0.000) 6.249 15.294 ( 4.964 -1.118 0.000) 5.088 15.598 ( -7.839 -3.915 0.000) 8.762 15.854 ( 3.540 -2.007 0.000) 4.070 16.145 ( -14.025 11.554 0.000) 18.171 16.561 ( 10.547 0.046 0.000) 10.547 16.849 ( 5.427 -6.827 0.000) 8.721 16.952 ( -6.548 -5.565 0.000) 8.593 17.224 ( -12.772 -2.289 0.000) 12.976 17.611 ( 7.963 -7.612 0.000) 11.016 17.773 ( 9.718 -4.915 0.000) 10.891 17.917 ( -4.208 -5.010 0.000) 6.543 18.038 ( -2.940 -4.538 0.000) 5.407 ======================= Grid point 7 (6/60) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -20.318 7.802 0.000) 21.764 1.324 ( 20.318 7.802 0.000) 21.764 1.333 ( -13.294 30.194 0.000) 32.991 1.333 ( 13.294 30.194 0.000) 32.991 2.201 ( -20.234 5.559 0.000) 20.984 2.201 ( 20.234 5.559 0.000) 20.984 2.344 ( -23.281 3.898 0.000) 23.605 2.344 ( 23.281 3.898 0.000) 23.605 2.644 ( -12.993 6.359 0.000) 14.466 2.644 ( 12.993 6.359 0.000) 14.466 2.721 ( -1.047 0.439 0.000) 1.135 2.721 ( 1.047 0.439 0.000) 1.135 2.837 ( -1.483 2.723 0.000) 3.100 2.837 ( 1.483 2.723 0.000) 3.100 2.988 ( -0.637 -2.339 0.000) 2.424 2.988 ( 0.637 -2.339 0.000) 2.424 3.067 ( -5.937 -5.818 0.000) 8.312 3.067 ( 5.937 -5.818 0.000) 8.312 3.469 ( -5.711 -3.889 0.000) 6.910 3.469 ( 5.711 -3.889 0.000) 6.910 3.562 ( -6.507 2.047 0.000) 6.821 3.562 ( 6.507 2.047 0.000) 6.821 3.658 ( -2.290 2.963 0.000) 3.745 3.658 ( 2.290 2.963 0.000) 3.745 3.738 ( -9.139 6.704 0.000) 11.334 3.738 ( 9.139 6.704 0.000) 11.334 4.050 ( -0.090 -2.551 0.000) 2.553 4.050 ( 0.090 -2.551 0.000) 2.553 4.228 ( -9.962 2.642 0.000) 10.306 4.228 ( 9.962 2.642 0.000) 10.306 4.410 ( -1.648 -4.530 0.000) 4.821 4.410 ( 1.648 -4.530 0.000) 4.821 4.600 ( -0.643 19.736 0.000) 19.746 4.600 ( 0.643 19.736 0.000) 19.746 4.911 ( -7.450 7.158 0.000) 10.332 4.911 ( 7.450 7.158 0.000) 10.332 4.980 ( -5.661 5.764 0.000) 8.080 4.980 ( 5.661 5.764 0.000) 8.080 5.166 ( -6.446 -0.192 0.000) 6.449 5.166 ( 6.446 -0.192 0.000) 6.449 5.435 ( -2.298 -1.009 0.000) 2.509 5.435 ( 2.298 -1.009 0.000) 2.509 5.558 ( -8.660 6.478 0.000) 10.815 5.558 ( 8.660 6.478 0.000) 10.815 5.732 ( -3.233 6.028 0.000) 6.841 5.732 ( 3.233 6.028 0.000) 6.841 6.242 ( -0.185 3.890 0.000) 3.895 6.242 ( 0.185 3.890 0.000) 3.895 6.974 ( -19.218 31.959 0.000) 37.292 6.974 ( 19.218 31.959 0.000) 37.292 7.117 ( -1.730 0.300 0.000) 1.756 7.117 ( 1.730 0.300 0.000) 1.756 7.364 ( -4.842 2.354 0.000) 5.384 7.364 ( 4.842 2.354 0.000) 5.384 7.493 ( -3.031 0.989 0.000) 3.188 7.493 ( 3.031 0.989 0.000) 3.188 7.704 ( -12.480 1.101 0.000) 12.529 7.704 ( 12.480 1.101 0.000) 12.529 8.135 ( -1.038 -2.042 0.000) 2.291 8.135 ( 1.038 -2.042 0.000) 2.291 8.322 ( -7.172 1.701 0.000) 7.370 8.322 ( 7.172 1.701 0.000) 7.370 8.858 ( -4.911 9.282 0.000) 10.501 8.858 ( 4.911 9.282 0.000) 10.501 9.004 ( -3.489 -1.368 0.000) 3.748 9.004 ( 3.489 -1.368 0.000) 3.748 9.326 ( -0.695 7.508 0.000) 7.541 9.326 ( 0.695 7.508 0.000) 7.541 9.356 ( -3.632 19.849 0.000) 20.179 9.356 ( 3.632 19.849 0.000) 20.179 10.182 ( -1.262 4.621 0.000) 4.790 10.182 ( 1.262 4.621 0.000) 4.790 10.309 ( -7.750 9.808 0.000) 12.500 10.309 ( 7.750 9.808 0.000) 12.500 11.055 ( -1.625 -2.775 0.000) 3.215 11.055 ( 1.625 -2.775 0.000) 3.215 11.077 ( -1.885 1.859 0.000) 2.648 11.077 ( 1.885 1.859 0.000) 2.648 11.497 ( -9.903 3.637 0.000) 10.550 11.497 ( 9.903 3.637 0.000) 10.550 11.560 ( -5.919 8.226 0.000) 10.135 11.560 ( 5.919 8.226 0.000) 10.135 11.730 ( -2.746 5.880 0.000) 6.489 11.730 ( 2.746 5.880 0.000) 6.489 12.569 ( -2.725 2.887 0.000) 3.970 12.569 ( 2.725 2.887 0.000) 3.970 12.933 ( -4.288 -7.175 0.000) 8.359 12.933 ( 4.288 -7.175 0.000) 8.359 13.629 ( -1.571 -4.218 0.000) 4.502 13.629 ( 1.571 -4.218 0.000) 4.502 13.684 ( -6.664 0.130 0.000) 6.665 13.684 ( 6.664 0.130 0.000) 6.665 14.260 ( -8.930 -1.713 0.000) 9.092 14.260 ( 8.930 -1.713 0.000) 9.092 14.647 ( -7.760 0.997 0.000) 7.824 14.647 ( 7.760 0.997 0.000) 7.824 15.429 ( -7.882 -2.211 0.000) 8.186 15.429 ( 7.882 -2.211 0.000) 8.186 15.954 ( -6.357 4.164 0.000) 7.600 15.954 ( 6.357 4.164 0.000) 7.600 16.788 ( -9.905 -3.999 0.000) 10.681 16.788 ( 9.905 -3.999 0.000) 10.681 16.983 ( -9.187 -3.786 0.000) 9.937 16.983 ( 9.187 -3.786 0.000) 9.937 17.786 ( -8.076 -6.056 0.000) 10.094 17.786 ( 8.076 -6.056 0.000) 10.094 17.941 ( -6.486 -4.713 0.000) 8.017 17.941 ( 6.486 -4.713 0.000) 8.017 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 0.000 23.333 0.000) 23.333 1.016 ( 0.000 24.999 0.000) 24.999 1.906 ( 0.000 3.700 0.000) 3.700 2.212 ( 0.000 -0.359 0.000) 0.359 2.212 ( 0.000 2.042 0.000) 2.042 2.243 ( 0.000 14.031 0.000) 14.031 2.295 ( 0.000 49.531 0.000) 49.531 2.473 ( 0.000 8.870 0.000) 8.870 2.579 ( 0.000 -5.909 0.000) 5.909 2.696 ( 0.000 -5.383 0.000) 5.383 2.773 ( 0.000 8.566 0.000) 8.566 2.797 ( 0.000 -6.710 0.000) 6.710 2.879 ( 0.000 -1.567 0.000) 1.567 3.063 ( 0.000 -13.316 0.000) 13.316 3.094 ( 0.000 11.575 0.000) 11.575 3.097 ( 0.000 -0.893 0.000) 0.893 3.140 ( 0.000 -3.495 0.000) 3.495 3.234 ( 0.000 9.508 0.000) 9.508 3.413 ( 0.000 -15.191 0.000) 15.191 3.473 ( 0.000 1.711 0.000) 1.711 3.497 ( 0.000 3.297 0.000) 3.297 3.521 ( 0.000 -7.020 0.000) 7.020 3.655 ( 0.000 -0.491 0.000) 0.491 3.745 ( 0.000 -2.866 0.000) 2.866 3.883 ( 0.000 -3.730 0.000) 3.730 3.929 ( 0.000 -4.610 0.000) 4.610 4.016 ( 0.000 6.720 0.000) 6.720 4.029 ( 0.000 -3.335 0.000) 3.335 4.133 ( 0.000 1.962 0.000) 1.962 4.284 ( 0.000 -3.655 0.000) 3.655 4.293 ( 0.000 11.490 0.000) 11.490 4.602 ( 0.000 -6.660 0.000) 6.660 4.620 ( 0.000 12.205 0.000) 12.205 4.659 ( 0.000 -0.688 0.000) 0.688 4.977 ( 0.000 19.891 0.000) 19.891 5.060 ( 0.000 7.230 0.000) 7.230 5.141 ( 0.000 13.665 0.000) 13.665 5.188 ( 0.000 4.213 0.000) 4.213 5.210 ( 0.000 4.949 0.000) 4.949 5.258 ( 0.000 6.862 0.000) 6.862 5.460 ( 0.000 -1.066 0.000) 1.066 5.500 ( 0.000 -0.387 0.000) 0.387 5.531 ( 0.000 -0.456 0.000) 0.456 5.759 ( 0.000 31.769 0.000) 31.769 5.936 ( 0.000 13.817 0.000) 13.817 6.056 ( 0.000 8.108 0.000) 8.108 6.211 ( 0.000 8.268 0.000) 8.268 6.454 ( 0.000 5.942 0.000) 5.942 7.063 ( 0.000 13.741 0.000) 13.741 7.171 ( 0.000 -1.062 0.000) 1.062 7.291 ( 0.000 -2.923 0.000) 2.923 7.320 ( 0.000 48.640 0.000) 48.640 7.323 ( 0.000 11.077 0.000) 11.077 7.473 ( 0.000 -2.702 0.000) 2.702 7.653 ( 0.000 -4.254 0.000) 4.254 7.747 ( 0.000 -4.525 0.000) 4.525 7.959 ( 0.000 3.542 0.000) 3.542 8.043 ( 0.000 -4.343 0.000) 4.343 8.151 ( 0.000 14.092 0.000) 14.092 8.519 ( 0.000 6.535 0.000) 6.535 8.528 ( 0.000 9.940 0.000) 9.940 8.564 ( 0.000 10.769 0.000) 10.769 8.652 ( 0.000 1.754 0.000) 1.754 8.690 ( 0.000 1.795 0.000) 1.795 8.829 ( 0.000 6.081 0.000) 6.081 9.280 ( 0.000 -6.577 0.000) 6.577 9.304 ( 0.000 8.327 0.000) 8.327 9.779 ( 0.000 23.328 0.000) 23.328 9.784 ( 0.000 9.002 0.000) 9.002 9.791 ( 0.000 20.258 0.000) 20.258 9.978 ( 0.000 14.540 0.000) 14.540 10.146 ( 0.000 7.714 0.000) 7.714 10.560 ( 0.000 -6.071 0.000) 6.071 10.568 ( 0.000 -2.766 0.000) 2.766 10.774 ( 0.000 17.203 0.000) 17.203 10.829 ( 0.000 19.281 0.000) 19.281 11.033 ( 0.000 4.567 0.000) 4.567 11.304 ( 0.000 22.617 0.000) 22.617 11.446 ( 0.000 6.976 0.000) 6.976 11.710 ( 0.000 5.714 0.000) 5.714 11.728 ( 0.000 8.709 0.000) 8.709 11.947 ( 0.000 15.147 0.000) 15.147 11.989 ( 0.000 8.489 0.000) 8.489 12.056 ( 0.000 4.332 0.000) 4.332 12.552 ( 0.000 -0.569 0.000) 0.569 12.654 ( 0.000 9.651 0.000) 9.651 12.847 ( 0.000 6.949 0.000) 6.949 12.928 ( 0.000 -10.074 0.000) 10.074 13.477 ( 0.000 -7.988 0.000) 7.988 13.498 ( 0.000 -1.424 0.000) 1.424 13.510 ( 0.000 -10.608 0.000) 10.608 13.915 ( 0.000 -6.645 0.000) 6.645 13.959 ( 0.000 8.549 0.000) 8.549 14.502 ( 0.000 2.662 0.000) 2.662 14.672 ( 0.000 4.161 0.000) 4.161 14.888 ( 0.000 2.991 0.000) 2.991 15.197 ( 0.000 -4.312 0.000) 4.312 15.550 ( 0.000 -9.178 0.000) 9.178 15.704 ( 0.000 -5.573 0.000) 5.573 16.261 ( 0.000 -16.197 0.000) 16.197 16.534 ( 0.000 7.640 0.000) 7.640 16.805 ( 0.000 7.067 0.000) 7.067 16.894 ( 0.000 -9.602 0.000) 9.602 17.233 ( 0.000 -13.636 0.000) 13.636 17.414 ( 0.000 -8.757 0.000) 8.757 17.450 ( 0.000 -4.799 0.000) 4.799 17.852 ( 0.000 -6.715 0.000) 6.715 17.933 ( 0.000 -9.123 0.000) 9.123 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 14.596 19.916 0.000) 24.692 1.264 ( 27.518 15.559 0.000) 31.612 1.812 ( -9.252 6.302 0.000) 11.194 2.094 ( -9.885 17.446 0.000) 20.052 2.220 ( 0.661 -0.917 0.000) 1.130 2.244 ( -0.278 0.387 0.000) 0.476 2.366 ( 7.844 42.321 0.000) 43.042 2.534 ( 4.047 2.678 0.000) 4.853 2.601 ( 1.633 -3.885 0.000) 4.214 2.745 ( 4.636 -6.311 0.000) 7.831 2.789 ( -1.327 -5.692 0.000) 5.845 2.808 ( 3.592 9.638 0.000) 10.285 2.824 ( -2.736 -2.783 0.000) 3.902 3.023 ( -5.394 4.971 0.000) 7.335 3.062 ( -3.446 4.074 0.000) 5.336 3.083 ( -4.813 -2.382 0.000) 5.370 3.109 ( -1.513 0.298 0.000) 1.543 3.191 ( 2.121 -4.820 0.000) 5.266 3.313 ( -22.273 5.058 0.000) 22.840 3.453 ( -1.961 -8.597 0.000) 8.818 3.505 ( 3.706 3.459 0.000) 5.070 3.574 ( -4.831 -1.835 0.000) 5.168 3.574 ( 4.531 0.438 0.000) 4.553 3.688 ( -3.930 0.814 0.000) 4.013 3.749 ( 2.216 -0.021 0.000) 2.216 3.958 ( -0.192 -3.346 0.000) 3.351 3.970 ( 6.252 -5.394 0.000) 8.258 4.027 ( 0.729 -3.773 0.000) 3.842 4.122 ( -9.324 2.536 0.000) 9.663 4.339 ( 1.990 4.115 0.000) 4.571 4.395 ( -8.233 -5.197 0.000) 9.736 4.568 ( -4.778 11.093 0.000) 12.078 4.579 ( 19.051 2.422 0.000) 19.204 4.921 ( 13.570 -0.447 0.000) 13.577 5.007 ( 1.618 19.170 0.000) 19.238 5.075 ( 1.432 9.064 0.000) 9.177 5.145 ( -5.471 2.704 0.000) 6.102 5.152 ( 0.915 11.678 0.000) 11.714 5.184 ( -0.991 5.653 0.000) 5.739 5.253 ( -1.059 5.242 0.000) 5.348 5.402 ( -1.394 -1.017 0.000) 1.726 5.470 ( -2.571 -0.475 0.000) 2.614 5.662 ( 7.429 4.775 0.000) 8.831 5.785 ( 3.297 24.890 0.000) 25.107 5.891 ( -4.130 14.390 0.000) 14.971 6.014 ( -3.989 7.809 0.000) 8.769 6.246 ( 3.350 8.503 0.000) 9.139 6.426 ( -2.957 7.953 0.000) 8.485 7.094 ( 2.948 9.658 0.000) 10.098 7.156 ( -1.029 0.210 0.000) 1.050 7.308 ( 1.514 14.814 0.000) 14.891 7.319 ( 2.176 -3.469 0.000) 4.095 7.438 ( 1.934 16.566 0.000) 16.679 7.513 ( 9.620 11.278 0.000) 14.823 7.520 ( -6.738 -1.370 0.000) 6.876 7.742 ( 0.057 8.448 0.000) 8.448 7.965 ( -1.453 1.044 0.000) 1.789 8.048 ( 0.698 -4.086 0.000) 4.145 8.120 ( -13.638 30.055 0.000) 33.004 8.292 ( -13.980 6.962 0.000) 15.618 8.386 ( -5.970 8.048 0.000) 10.020 8.487 ( -4.318 3.029 0.000) 5.274 8.727 ( 11.171 2.278 0.000) 11.401 8.824 ( 8.099 -1.385 0.000) 8.217 8.974 ( 10.301 9.455 0.000) 13.982 9.153 ( -5.884 5.578 0.000) 8.108 9.353 ( 4.167 0.831 0.000) 4.249 9.664 ( -10.089 14.721 0.000) 17.847 9.811 ( 0.952 23.595 0.000) 23.614 9.974 ( -5.979 28.107 0.000) 28.736 10.117 ( 10.806 4.252 0.000) 11.612 10.296 ( 22.820 -0.404 0.000) 22.823 10.423 ( -7.854 12.016 0.000) 14.355 10.723 ( 13.683 -7.563 0.000) 15.634 10.734 ( -1.857 13.518 0.000) 13.645 10.950 ( 2.345 8.041 0.000) 8.376 11.047 ( 2.709 5.233 0.000) 5.892 11.302 ( 0.289 20.492 0.000) 20.494 11.462 ( 2.366 8.066 0.000) 8.406 11.694 ( -1.799 6.104 0.000) 6.363 11.709 ( -1.606 8.283 0.000) 8.437 11.880 ( -12.542 0.975 0.000) 12.580 11.927 ( -2.416 14.732 0.000) 14.928 11.958 ( -2.292 9.296 0.000) 9.574 12.611 ( 3.546 2.111 0.000) 4.126 12.659 ( 0.380 8.675 0.000) 8.683 12.827 ( -1.549 3.488 0.000) 3.817 12.885 ( -3.682 -8.911 0.000) 9.641 13.473 ( -0.074 -8.752 0.000) 8.752 13.492 ( -0.248 -9.861 0.000) 9.864 13.562 ( 4.451 -1.701 0.000) 4.765 13.823 ( -5.799 -0.901 0.000) 5.869 14.077 ( 7.671 1.614 0.000) 7.839 14.429 ( -6.878 1.905 0.000) 7.137 14.651 ( -0.695 5.784 0.000) 5.825 14.799 ( -6.484 1.364 0.000) 6.626 15.251 ( 4.367 -3.489 0.000) 5.590 15.485 ( -5.488 -7.394 0.000) 9.208 15.806 ( 8.697 -2.463 0.000) 9.039 16.194 ( -6.762 -8.153 0.000) 10.592 16.576 ( 3.566 3.562 0.000) 5.041 16.790 ( -7.103 -10.464 0.000) 12.646 16.807 ( 2.553 3.393 0.000) 4.246 17.171 ( -11.110 -2.628 0.000) 11.417 17.401 ( 10.168 -13.358 0.000) 16.788 17.646 ( 9.413 -7.709 0.000) 12.168 17.788 ( -5.964 -8.247 0.000) 10.178 17.906 ( -2.853 -8.740 0.000) 9.193 ======================= Grid point 12 (9/60) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -15.691 12.028 0.000) 19.770 1.521 ( 15.691 12.028 0.000) 19.770 1.802 ( -19.284 16.243 0.000) 25.213 1.802 ( 19.284 16.243 0.000) 25.213 2.234 ( -0.642 -1.087 0.000) 1.262 2.234 ( 0.642 -1.087 0.000) 1.262 2.580 ( -2.392 -1.416 0.000) 2.779 2.580 ( 2.392 -1.416 0.000) 2.779 2.676 ( -12.012 14.460 0.000) 18.799 2.676 ( 12.012 14.460 0.000) 18.799 2.833 ( -8.172 2.752 0.000) 8.623 2.833 ( 8.172 2.752 0.000) 8.623 2.871 ( -3.867 -4.186 0.000) 5.699 2.871 ( 3.867 -4.186 0.000) 5.699 2.955 ( -3.261 9.270 0.000) 9.827 2.955 ( 3.261 9.270 0.000) 9.827 3.056 ( -0.336 7.747 0.000) 7.754 3.056 ( 0.336 7.747 0.000) 7.754 3.331 ( -8.158 -9.041 0.000) 12.177 3.331 ( 8.158 -9.041 0.000) 12.177 3.558 ( -0.635 -3.012 0.000) 3.078 3.558 ( 0.635 -3.012 0.000) 3.078 3.638 ( -2.131 -0.625 0.000) 2.221 3.638 ( 2.131 -0.625 0.000) 2.221 3.883 ( -9.388 3.987 0.000) 10.200 3.883 ( 9.388 3.987 0.000) 10.200 3.994 ( -0.236 -3.111 0.000) 3.120 3.994 ( 0.236 -3.111 0.000) 3.120 4.175 ( -10.016 -7.960 0.000) 12.794 4.175 ( 10.016 -7.960 0.000) 12.794 4.452 ( -5.777 8.830 0.000) 10.552 4.452 ( 5.777 8.830 0.000) 10.552 4.903 ( -12.097 5.919 0.000) 13.467 4.903 ( 12.097 5.919 0.000) 13.467 5.086 ( -1.076 10.256 0.000) 10.312 5.086 ( 1.076 10.256 0.000) 10.312 5.142 ( -3.952 5.914 0.000) 7.112 5.142 ( 3.952 5.914 0.000) 7.112 5.189 ( -4.113 5.040 0.000) 6.506 5.189 ( 4.113 5.040 0.000) 6.506 5.414 ( -2.232 -0.518 0.000) 2.291 5.414 ( 2.232 -0.518 0.000) 2.291 5.787 ( -5.431 15.325 0.000) 16.259 5.787 ( 5.431 15.325 0.000) 16.259 5.901 ( -6.628 9.462 0.000) 11.552 5.901 ( 6.628 9.462 0.000) 11.552 6.338 ( -5.073 9.254 0.000) 10.553 6.338 ( 5.073 9.254 0.000) 10.553 7.137 ( -0.988 2.522 0.000) 2.709 7.137 ( 0.988 2.522 0.000) 2.709 7.348 ( -0.360 -2.581 0.000) 2.606 7.348 ( 0.360 -2.581 0.000) 2.606 7.450 ( -1.000 2.798 0.000) 2.972 7.450 ( 1.000 2.798 0.000) 2.972 7.769 ( -14.133 9.942 0.000) 17.280 7.769 ( 14.133 9.942 0.000) 17.280 7.850 ( -10.648 35.372 0.000) 36.939 7.850 ( 10.648 35.372 0.000) 36.939 8.088 ( -4.371 -0.653 0.000) 4.420 8.088 ( 4.371 -0.653 0.000) 4.420 8.374 ( -4.019 3.191 0.000) 5.132 8.374 ( 4.019 3.191 0.000) 5.132 8.979 ( -1.755 0.703 0.000) 1.891 8.979 ( 1.755 0.703 0.000) 1.891 9.054 ( -2.039 7.792 0.000) 8.055 9.054 ( 2.039 7.792 0.000) 8.055 9.444 ( -7.217 4.642 0.000) 8.581 9.444 ( 7.217 4.642 0.000) 8.581 9.850 ( -3.672 25.270 0.000) 25.536 9.850 ( 3.672 25.270 0.000) 25.536 10.324 ( -4.680 11.230 0.000) 12.166 10.324 ( 4.680 11.230 0.000) 12.166 10.587 ( -11.490 18.032 0.000) 21.382 10.587 ( 11.490 18.032 0.000) 21.382 10.941 ( -2.824 -6.641 0.000) 7.216 10.941 ( 2.824 -6.641 0.000) 7.216 11.218 ( -10.854 9.675 0.000) 14.540 11.218 ( 10.854 9.675 0.000) 14.540 11.587 ( -9.645 5.746 0.000) 11.227 11.587 ( 9.645 5.746 0.000) 11.227 11.690 ( -1.250 5.590 0.000) 5.728 11.690 ( 1.250 5.590 0.000) 5.728 11.917 ( -1.247 11.508 0.000) 11.575 11.917 ( 1.247 11.508 0.000) 11.575 12.657 ( -0.977 6.078 0.000) 6.156 12.657 ( 0.977 6.078 0.000) 6.156 12.819 ( -1.616 -4.099 0.000) 4.406 12.819 ( 1.616 -4.099 0.000) 4.406 13.481 ( -0.719 -10.136 0.000) 10.161 13.481 ( 0.719 -10.136 0.000) 10.161 13.686 ( -7.071 -0.481 0.000) 7.088 13.686 ( 7.071 -0.481 0.000) 7.088 14.253 ( -9.224 0.729 0.000) 9.253 14.253 ( 9.224 0.729 0.000) 9.253 14.684 ( -3.992 3.902 0.000) 5.582 14.684 ( 3.992 3.902 0.000) 5.582 15.360 ( -6.064 -4.753 0.000) 7.705 15.360 ( 6.064 -4.753 0.000) 7.705 16.010 ( -10.247 -0.196 0.000) 10.249 16.010 ( 10.247 -0.196 0.000) 10.249 16.662 ( -5.030 -7.133 0.000) 8.728 16.662 ( 5.030 -7.133 0.000) 8.728 16.945 ( -9.936 0.481 0.000) 9.947 16.945 ( 9.936 0.481 0.000) 9.947 17.620 ( -10.012 -10.634 0.000) 14.606 17.620 ( 10.012 -10.634 0.000) 14.606 17.810 ( -6.449 -8.455 0.000) 10.633 17.810 ( 6.449 -8.455 0.000) 10.633 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 0.000 22.952 0.000) 22.952 1.489 ( 0.000 22.794 0.000) 22.794 1.963 ( 0.000 2.353 0.000) 2.353 2.199 ( 0.000 -1.051 0.000) 1.051 2.208 ( 0.000 -1.462 0.000) 1.462 2.438 ( 0.000 6.337 0.000) 6.337 2.473 ( 0.000 -3.931 0.000) 3.931 2.571 ( 0.000 -7.372 0.000) 7.372 2.602 ( 0.000 3.386 0.000) 3.386 2.672 ( 0.000 -4.917 0.000) 4.917 2.753 ( 0.000 -14.712 0.000) 14.712 2.840 ( 0.000 -2.883 0.000) 2.883 2.890 ( 0.000 1.927 0.000) 1.927 2.917 ( 0.000 4.729 0.000) 4.729 3.072 ( 0.000 -8.897 0.000) 8.897 3.278 ( 0.000 7.840 0.000) 7.840 3.342 ( 0.000 -5.841 0.000) 5.841 3.352 ( 0.000 27.264 0.000) 27.264 3.357 ( 0.000 8.608 0.000) 8.608 3.397 ( 0.000 6.869 0.000) 6.869 3.512 ( 0.000 4.698 0.000) 4.698 3.542 ( 0.000 1.506 0.000) 1.506 3.655 ( 0.000 0.512 0.000) 0.512 3.673 ( 0.000 -3.521 0.000) 3.521 3.754 ( 0.000 -7.000 0.000) 7.000 3.814 ( 0.000 -6.508 0.000) 6.508 3.981 ( 0.000 0.911 0.000) 0.911 4.145 ( 0.000 -0.996 0.000) 0.996 4.160 ( 0.000 7.389 0.000) 7.389 4.314 ( 0.000 6.123 0.000) 6.123 4.452 ( 0.000 -3.089 0.000) 3.089 4.461 ( 0.000 0.668 0.000) 0.668 4.625 ( 0.000 -3.012 0.000) 3.012 4.820 ( 0.000 5.029 0.000) 5.029 5.148 ( 0.000 2.841 0.000) 2.841 5.222 ( 0.000 7.729 0.000) 7.729 5.250 ( 0.000 -0.129 0.000) 0.129 5.253 ( 0.000 3.365 0.000) 3.365 5.321 ( 0.000 5.799 0.000) 5.799 5.406 ( 0.000 5.613 0.000) 5.613 5.448 ( 0.000 0.346 0.000) 0.346 5.483 ( 0.000 -1.507 0.000) 1.507 5.579 ( 0.000 2.386 0.000) 2.386 5.886 ( 0.000 -14.780 0.000) 14.780 6.320 ( 0.000 22.860 0.000) 22.860 6.361 ( 0.000 27.078 0.000) 27.078 6.593 ( 0.000 8.551 0.000) 8.551 6.639 ( 0.000 21.380 0.000) 21.380 7.176 ( 0.000 3.188 0.000) 3.188 7.241 ( 0.000 -1.774 0.000) 1.774 7.301 ( 0.000 9.564 0.000) 9.564 7.393 ( 0.000 -3.692 0.000) 3.692 7.545 ( 0.000 -6.823 0.000) 6.823 7.610 ( 0.000 15.971 0.000) 15.971 7.674 ( 0.000 -2.429 0.000) 2.429 7.867 ( 0.000 -8.130 0.000) 8.130 7.898 ( 0.000 -2.567 0.000) 2.567 8.071 ( 0.000 11.821 0.000) 11.821 8.416 ( 0.000 8.653 0.000) 8.653 8.623 ( 0.000 3.178 0.000) 3.178 8.709 ( 0.000 4.636 0.000) 4.636 8.717 ( 0.000 3.605 0.000) 3.605 8.721 ( 0.000 4.965 0.000) 4.965 8.870 ( 0.000 19.610 0.000) 19.610 9.105 ( 0.000 24.499 0.000) 24.499 9.109 ( 0.000 -9.677 0.000) 9.677 9.426 ( 0.000 3.887 0.000) 3.887 9.959 ( 0.000 -2.423 0.000) 2.423 10.029 ( 0.000 14.992 0.000) 14.992 10.095 ( 0.000 6.073 0.000) 6.073 10.164 ( 0.000 17.588 0.000) 17.588 10.422 ( 0.000 -7.289 0.000) 7.289 10.542 ( 0.000 1.384 0.000) 1.384 10.680 ( 0.000 24.200 0.000) 24.200 11.098 ( 0.000 7.854 0.000) 7.854 11.179 ( 0.000 21.750 0.000) 21.750 11.276 ( 0.000 22.867 0.000) 22.867 11.612 ( 0.000 9.149 0.000) 9.149 11.748 ( 0.000 16.753 0.000) 16.753 11.866 ( 0.000 10.986 0.000) 10.986 11.986 ( 0.000 15.130 0.000) 15.130 12.099 ( 0.000 8.880 0.000) 8.880 12.176 ( 0.000 11.573 0.000) 11.573 12.336 ( 0.000 19.556 0.000) 19.556 12.542 ( 0.000 -1.074 0.000) 1.074 12.658 ( 0.000 -16.047 0.000) 16.047 12.710 ( 0.000 -6.307 0.000) 6.307 12.993 ( 0.000 8.602 0.000) 8.602 13.247 ( 0.000 -16.121 0.000) 16.121 13.273 ( 0.000 -12.186 0.000) 12.186 13.470 ( 0.000 -2.758 0.000) 2.758 13.737 ( 0.000 -11.221 0.000) 11.221 14.258 ( 0.000 21.434 0.000) 21.434 14.573 ( 0.000 3.894 0.000) 3.894 14.772 ( 0.000 5.910 0.000) 5.910 15.034 ( 0.000 12.673 0.000) 12.673 15.037 ( 0.000 -11.789 0.000) 11.789 15.349 ( 0.000 -10.681 0.000) 10.681 15.640 ( 0.000 -0.804 0.000) 0.804 15.872 ( 0.000 -22.967 0.000) 22.967 16.665 ( 0.000 -12.902 0.000) 12.902 16.735 ( 0.000 12.580 0.000) 12.580 16.911 ( 0.000 -17.829 0.000) 17.829 16.970 ( 0.000 9.444 0.000) 9.444 17.266 ( 0.000 -5.484 0.000) 5.484 17.356 ( 0.000 -5.028 0.000) 5.028 17.691 ( 0.000 -9.479 0.000) 9.479 17.712 ( 0.000 -13.031 0.000) 13.031 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 8.150 19.656 0.000) 21.279 1.595 ( 19.829 17.692 0.000) 26.574 1.927 ( -3.916 5.228 0.000) 6.531 2.195 ( -1.314 -1.433 0.000) 1.944 2.198 ( 0.013 -1.350 0.000) 1.350 2.391 ( -6.939 9.719 0.000) 11.942 2.479 ( 1.099 -4.249 0.000) 4.389 2.549 ( -2.744 -0.755 0.000) 2.846 2.614 ( 4.074 -6.912 0.000) 8.023 2.692 ( 1.391 -2.939 0.000) 3.252 2.770 ( -2.492 -3.624 0.000) 4.398 2.818 ( 0.458 -3.774 0.000) 3.802 2.829 ( -2.018 -5.494 0.000) 5.853 2.961 ( -8.278 -9.279 0.000) 12.435 2.990 ( 4.146 -3.565 0.000) 5.468 3.214 ( -3.296 10.388 0.000) 10.898 3.262 ( -7.111 -6.688 0.000) 9.762 3.284 ( -5.703 8.528 0.000) 10.259 3.398 ( 3.241 25.897 0.000) 26.099 3.433 ( 4.613 4.557 0.000) 6.484 3.557 ( -0.412 2.280 0.000) 2.317 3.573 ( 3.029 1.394 0.000) 3.335 3.641 ( -1.090 -0.020 0.000) 1.091 3.738 ( 7.348 0.395 0.000) 7.359 3.816 ( -15.443 17.692 0.000) 23.484 3.830 ( 6.892 -7.224 0.000) 9.984 3.866 ( 2.737 -5.278 0.000) 5.945 3.973 ( -0.938 0.684 0.000) 1.161 4.121 ( -6.563 -1.238 0.000) 6.679 4.241 ( -11.979 -6.249 0.000) 13.511 4.486 ( 4.580 5.342 0.000) 7.036 4.626 ( 16.760 2.302 0.000) 16.918 4.760 ( -5.614 5.957 0.000) 8.185 4.884 ( 15.683 -3.520 0.000) 16.073 5.172 ( 1.968 2.871 0.000) 3.481 5.173 ( -5.885 0.834 0.000) 5.944 5.242 ( -3.968 4.906 0.000) 6.309 5.276 ( 2.002 1.078 0.000) 2.274 5.282 ( 0.297 6.891 0.000) 6.897 5.366 ( -4.023 3.269 0.000) 5.184 5.420 ( -0.902 2.827 0.000) 2.968 5.469 ( -1.461 0.306 0.000) 1.493 5.670 ( 6.617 -2.406 0.000) 7.041 5.872 ( -1.764 -13.138 0.000) 13.256 6.303 ( -1.052 22.975 0.000) 22.999 6.338 ( -1.948 26.225 0.000) 26.297 6.609 ( 1.017 10.135 0.000) 10.186 6.626 ( -0.841 19.636 0.000) 19.654 7.193 ( 1.547 4.926 0.000) 5.163 7.253 ( 1.114 -2.764 0.000) 2.980 7.281 ( -1.884 9.409 0.000) 9.596 7.335 ( -3.826 -3.058 0.000) 4.898 7.457 ( -5.087 -4.763 0.000) 6.969 7.555 ( -7.591 -1.370 0.000) 7.714 7.721 ( 8.212 12.508 0.000) 14.963 7.869 ( 0.013 -7.726 0.000) 7.726 7.924 ( 2.173 -4.699 0.000) 5.178 8.185 ( 9.213 9.016 0.000) 12.890 8.413 ( -16.427 6.682 0.000) 17.734 8.508 ( -1.661 3.143 0.000) 3.555 8.646 ( -2.589 18.130 0.000) 18.314 8.729 ( -0.253 11.224 0.000) 11.227 8.816 ( 6.997 0.478 0.000) 7.013 8.864 ( 9.499 19.880 0.000) 22.033 9.153 ( -1.117 -3.258 0.000) 3.444 9.203 ( 6.929 17.178 0.000) 18.523 9.404 ( 2.270 2.857 0.000) 3.649 9.926 ( -18.773 11.636 0.000) 22.087 10.039 ( 5.737 -2.187 0.000) 6.139 10.095 ( -0.064 5.524 0.000) 5.524 10.393 ( 25.978 6.997 0.000) 26.904 10.506 ( 11.004 0.264 0.000) 11.007 10.668 ( 8.130 7.250 0.000) 10.893 10.744 ( 5.316 23.880 0.000) 24.464 11.018 ( -11.027 18.812 0.000) 21.806 11.127 ( 4.127 5.316 0.000) 6.730 11.285 ( -5.420 22.193 0.000) 22.845 11.635 ( 2.149 8.766 0.000) 9.026 11.728 ( -3.700 18.174 0.000) 18.546 11.855 ( -1.953 9.789 0.000) 9.982 11.882 ( -16.528 2.621 0.000) 16.735 11.971 ( -2.147 17.328 0.000) 17.461 12.134 ( -2.581 8.763 0.000) 9.135 12.196 ( -6.320 11.815 0.000) 13.399 12.662 ( 2.886 -10.229 0.000) 10.629 12.696 ( 6.207 4.594 0.000) 7.722 12.714 ( 0.156 -5.723 0.000) 5.725 12.949 ( -4.347 9.642 0.000) 10.576 13.236 ( -0.565 -15.826 0.000) 15.836 13.252 ( -1.464 -13.574 0.000) 13.653 13.525 ( 4.615 -3.787 0.000) 5.970 13.715 ( -2.523 -10.264 0.000) 10.569 14.266 ( 1.308 17.892 0.000) 17.940 14.483 ( -7.637 4.058 0.000) 8.649 14.780 ( 0.915 7.284 0.000) 7.342 14.884 ( -5.328 5.773 0.000) 7.856 15.165 ( 4.531 -3.288 0.000) 5.598 15.317 ( -2.870 -9.299 0.000) 9.732 15.754 ( 8.358 -3.737 0.000) 9.155 15.883 ( 0.733 -21.190 0.000) 21.202 16.581 ( -3.156 -8.751 0.000) 9.302 16.723 ( -2.797 10.618 0.000) 10.980 16.942 ( -0.516 9.263 0.000) 9.277 17.098 ( 13.018 -15.885 0.000) 20.538 17.142 ( -7.007 -0.861 0.000) 7.060 17.480 ( 7.259 -8.898 0.000) 11.483 17.589 ( -8.121 -11.820 0.000) 14.341 17.701 ( -2.493 -11.791 0.000) 12.052 ======================= Grid point 17 (12/60) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -8.877 12.732 0.000) 15.521 1.772 ( 8.877 12.732 0.000) 15.521 2.052 ( -18.522 9.766 0.000) 20.939 2.052 ( 18.522 9.766 0.000) 20.939 2.213 ( -2.659 -0.031 0.000) 2.659 2.213 ( 2.659 -0.031 0.000) 2.659 2.517 ( -1.732 -2.356 0.000) 2.924 2.517 ( 1.732 -2.356 0.000) 2.924 2.713 ( -1.005 -1.608 0.000) 1.896 2.713 ( 1.005 -1.608 0.000) 1.896 2.725 ( -6.214 -7.791 0.000) 9.965 2.725 ( 6.214 -7.791 0.000) 9.965 2.856 ( -2.155 -5.293 0.000) 5.715 2.856 ( 2.155 -5.293 0.000) 5.715 3.103 ( -6.902 -11.140 0.000) 13.105 3.103 ( 6.902 -11.140 0.000) 13.105 3.199 ( -1.837 12.561 0.000) 12.695 3.199 ( 1.837 12.561 0.000) 12.695 3.505 ( -0.219 0.372 0.000) 0.431 3.505 ( 0.219 0.372 0.000) 0.431 3.542 ( -6.437 26.082 0.000) 26.864 3.542 ( 6.437 26.082 0.000) 26.864 3.622 ( -2.044 -1.337 0.000) 2.443 3.622 ( 2.044 -1.337 0.000) 2.443 3.932 ( -6.159 -1.816 0.000) 6.421 3.932 ( 6.159 -1.816 0.000) 6.421 3.938 ( -1.544 2.928 0.000) 3.310 3.938 ( 1.544 2.928 0.000) 3.310 4.012 ( -10.251 -6.860 0.000) 12.335 4.012 ( 10.251 -6.860 0.000) 12.335 4.616 ( -7.527 6.085 0.000) 9.679 4.616 ( 7.527 6.085 0.000) 9.679 4.949 ( -14.131 0.447 0.000) 14.138 4.949 ( 14.131 0.447 0.000) 14.138 5.161 ( -9.230 -1.321 0.000) 9.324 5.161 ( 9.230 -1.321 0.000) 9.324 5.219 ( -3.357 3.924 0.000) 5.164 5.219 ( 3.357 3.924 0.000) 5.164 5.309 ( -1.093 3.617 0.000) 3.778 5.309 ( 1.093 3.617 0.000) 3.778 5.431 ( -1.711 2.325 0.000) 2.886 5.431 ( 1.711 2.325 0.000) 2.886 5.799 ( -5.284 -8.314 0.000) 9.851 5.799 ( 5.284 -8.314 0.000) 9.851 6.301 ( -1.127 24.183 0.000) 24.209 6.301 ( 1.127 24.183 0.000) 24.209 6.618 ( -0.006 14.930 0.000) 14.930 6.618 ( 0.006 14.930 0.000) 14.930 7.234 ( -2.325 7.804 0.000) 8.143 7.234 ( 2.325 7.804 0.000) 8.143 7.279 ( -1.576 -3.477 0.000) 3.818 7.279 ( 1.576 -3.477 0.000) 3.818 7.431 ( -3.125 -3.213 0.000) 4.482 7.431 ( 3.125 -3.213 0.000) 4.482 7.854 ( -2.406 -3.353 0.000) 4.127 7.854 ( 2.406 -3.353 0.000) 4.127 8.071 ( -14.117 7.342 0.000) 15.912 8.071 ( 14.117 7.342 0.000) 15.912 8.383 ( -8.868 1.947 0.000) 9.079 8.383 ( 8.868 1.947 0.000) 9.079 8.642 ( -2.858 26.029 0.000) 26.185 8.642 ( 2.858 26.029 0.000) 26.185 8.980 ( -7.288 -0.552 0.000) 7.309 8.980 ( 7.288 -0.552 0.000) 7.309 9.248 ( -7.589 14.065 0.000) 15.982 9.248 ( 7.589 14.065 0.000) 15.982 9.534 ( -13.788 5.188 0.000) 14.732 9.534 ( 13.788 5.188 0.000) 14.732 10.092 ( -0.467 2.047 0.000) 2.100 10.092 ( 0.467 2.047 0.000) 2.100 10.757 ( -11.503 -7.399 0.000) 13.677 10.757 ( 11.503 -7.399 0.000) 13.677 10.799 ( -0.205 29.302 0.000) 29.303 10.799 ( 0.205 29.302 0.000) 29.303 10.965 ( -23.819 17.078 0.000) 29.309 10.965 ( 23.819 17.078 0.000) 29.309 11.390 ( -21.431 5.484 0.000) 22.122 11.390 ( 21.431 5.484 0.000) 22.122 11.697 ( -3.962 5.557 0.000) 6.825 11.697 ( 3.962 5.557 0.000) 6.825 11.891 ( -4.239 16.293 0.000) 16.836 11.891 ( 4.239 16.293 0.000) 16.836 12.123 ( -1.394 8.580 0.000) 8.693 12.123 ( 1.394 8.580 0.000) 8.693 12.704 ( -1.373 -7.053 0.000) 7.185 12.704 ( 1.373 -7.053 0.000) 7.185 12.830 ( -6.526 9.794 0.000) 11.769 12.830 ( 6.526 9.794 0.000) 11.769 13.233 ( -0.287 -15.195 0.000) 15.198 13.233 ( 0.287 -15.195 0.000) 15.198 13.631 ( -5.173 -6.813 0.000) 8.554 13.631 ( 5.173 -6.813 0.000) 8.554 14.334 ( -5.626 9.777 0.000) 11.281 14.334 ( 5.626 9.777 0.000) 11.281 14.812 ( -2.234 8.186 0.000) 8.485 14.812 ( 2.234 8.186 0.000) 8.485 15.246 ( -3.745 -6.353 0.000) 7.375 15.246 ( 3.745 -6.353 0.000) 7.375 15.875 ( -2.502 -14.076 0.000) 14.296 15.875 ( 2.502 -14.076 0.000) 14.296 16.611 ( -5.595 3.550 0.000) 6.626 16.611 ( 5.595 3.550 0.000) 6.626 17.003 ( -5.655 5.400 0.000) 7.819 17.003 ( 5.655 5.400 0.000) 7.819 17.374 ( -12.529 -14.141 0.000) 18.893 17.374 ( 12.529 -14.141 0.000) 18.893 17.615 ( -5.624 -11.188 0.000) 12.522 17.615 ( 5.624 -11.188 0.000) 12.522 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 0.000 18.654 0.000) 18.654 1.896 ( 0.000 17.818 0.000) 17.818 1.983 ( 0.000 -1.536 0.000) 1.536 2.143 ( 0.000 -6.667 0.000) 6.667 2.185 ( 0.000 1.131 0.000) 1.131 2.351 ( 0.000 -14.654 0.000) 14.654 2.446 ( 0.000 1.247 0.000) 1.247 2.489 ( 0.000 0.225 0.000) 0.225 2.520 ( 0.000 -6.629 0.000) 6.629 2.551 ( 0.000 -6.314 0.000) 6.314 2.667 ( 0.000 4.347 0.000) 4.347 2.772 ( 0.000 -4.783 0.000) 4.783 2.928 ( 0.000 1.493 0.000) 1.493 2.941 ( 0.000 0.049 0.000) 0.049 2.987 ( 0.000 3.475 0.000) 3.475 3.140 ( 0.000 -10.043 0.000) 10.043 3.474 ( 0.000 8.745 0.000) 8.745 3.495 ( 0.000 2.853 0.000) 2.853 3.505 ( 0.000 1.426 0.000) 1.426 3.543 ( 0.000 4.268 0.000) 4.268 3.565 ( 0.000 0.349 0.000) 0.349 3.582 ( 0.000 -2.493 0.000) 2.493 3.664 ( 0.000 -0.674 0.000) 0.674 3.668 ( 0.000 0.435 0.000) 0.435 3.696 ( 0.000 -4.478 0.000) 4.478 3.702 ( 0.000 -1.150 0.000) 1.150 4.143 ( 0.000 1.766 0.000) 1.766 4.218 ( 0.000 -3.939 0.000) 3.939 4.307 ( 0.000 27.962 0.000) 27.962 4.402 ( 0.000 5.131 0.000) 5.131 4.442 ( 0.000 5.421 0.000) 5.421 4.503 ( 0.000 -0.466 0.000) 0.466 4.534 ( 0.000 -6.178 0.000) 6.178 4.746 ( 0.000 -13.562 0.000) 13.562 5.192 ( 0.000 1.830 0.000) 1.830 5.225 ( 0.000 -1.628 0.000) 1.628 5.338 ( 0.000 4.850 0.000) 4.850 5.364 ( 0.000 7.159 0.000) 7.159 5.418 ( 0.000 3.676 0.000) 3.676 5.433 ( 0.000 -2.594 0.000) 2.594 5.459 ( 0.000 -0.171 0.000) 0.171 5.485 ( 0.000 3.423 0.000) 3.423 5.563 ( 0.000 -3.457 0.000) 3.457 5.585 ( 0.000 -13.835 0.000) 13.835 6.715 ( 0.000 14.800 0.000) 14.800 6.746 ( 0.000 9.994 0.000) 9.994 6.757 ( 0.000 6.311 0.000) 6.311 6.856 ( 0.000 0.634 0.000) 0.634 7.247 ( 0.000 3.267 0.000) 3.267 7.343 ( 0.000 4.274 0.000) 4.274 7.358 ( 0.000 1.312 0.000) 1.312 7.410 ( 0.000 -0.190 0.000) 0.190 7.414 ( 0.000 2.137 0.000) 2.137 7.648 ( 0.000 3.078 0.000) 3.078 7.664 ( 0.000 -12.553 0.000) 12.553 7.773 ( 0.000 -7.587 0.000) 7.587 7.913 ( 0.000 12.607 0.000) 12.607 8.097 ( 0.000 -5.751 0.000) 5.751 8.549 ( 0.000 5.626 0.000) 5.626 8.631 ( 0.000 -2.239 0.000) 2.239 8.767 ( 0.000 1.216 0.000) 1.216 8.771 ( 0.000 0.772 0.000) 0.772 8.796 ( 0.000 5.025 0.000) 5.025 8.926 ( 0.000 -8.271 0.000) 8.271 9.216 ( 0.000 14.139 0.000) 14.139 9.414 ( 0.000 -5.692 0.000) 5.692 9.653 ( 0.000 25.289 0.000) 25.289 10.001 ( 0.000 6.682 0.000) 6.682 10.020 ( 0.000 -11.899 0.000) 11.899 10.161 ( 0.000 -6.639 0.000) 6.639 10.454 ( 0.000 14.400 0.000) 14.400 10.464 ( 0.000 11.688 0.000) 11.688 10.582 ( 0.000 -0.290 0.000) 0.290 10.728 ( 0.000 -10.525 0.000) 10.525 11.527 ( 0.000 23.703 0.000) 23.703 11.571 ( 0.000 15.184 0.000) 15.184 11.596 ( 0.000 9.021 0.000) 9.021 11.744 ( 0.000 1.417 0.000) 1.417 11.860 ( 0.000 2.341 0.000) 2.341 12.043 ( 0.000 -4.529 0.000) 4.529 12.208 ( 0.000 8.928 0.000) 8.928 12.332 ( 0.000 9.008 0.000) 9.008 12.392 ( 0.000 -0.869 0.000) 0.869 12.461 ( 0.000 -16.105 0.000) 16.105 12.511 ( 0.000 20.931 0.000) 20.931 12.568 ( 0.000 4.395 0.000) 4.395 12.790 ( 0.000 11.572 0.000) 11.572 12.911 ( 0.000 -17.974 0.000) 17.974 12.919 ( 0.000 -3.337 0.000) 3.337 13.251 ( 0.000 10.743 0.000) 10.743 13.307 ( 0.000 -15.876 0.000) 15.876 13.492 ( 0.000 -13.002 0.000) 13.002 14.652 ( 0.000 4.778 0.000) 4.778 14.741 ( 0.000 24.686 0.000) 24.686 14.797 ( 0.000 -10.538 0.000) 10.538 14.897 ( 0.000 5.894 0.000) 5.894 15.159 ( 0.000 -6.701 0.000) 6.701 15.355 ( 0.000 17.533 0.000) 17.533 15.381 ( 0.000 -25.475 0.000) 25.475 15.606 ( 0.000 -5.824 0.000) 5.824 16.468 ( 0.000 -3.728 0.000) 3.728 16.583 ( 0.000 -13.687 0.000) 13.687 17.010 ( 0.000 14.232 0.000) 14.232 17.143 ( 0.000 5.309 0.000) 5.309 17.214 ( 0.000 0.155 0.000) 0.155 17.261 ( 0.000 -4.154 0.000) 4.154 17.456 ( 0.000 -9.992 0.000) 9.992 17.495 ( 0.000 -9.592 0.000) 9.592 ======================= Grid point 21 (14/60) ======================= q-point: ( 0.25 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 11.578 13.160 0.000) 17.528 1.931 ( 2.947 15.019 0.000) 15.305 2.005 ( 1.220 2.126 0.000) 2.451 2.135 ( -0.760 -5.656 0.000) 5.707 2.186 ( 0.863 2.135 0.000) 2.302 2.358 ( 2.762 -10.753 0.000) 11.102 2.511 ( 1.950 1.773 0.000) 2.635 2.519 ( 5.448 -0.161 0.000) 5.450 2.569 ( -7.230 5.901 0.000) 9.333 2.598 ( 6.631 -7.755 0.000) 10.203 2.605 ( 2.654 -6.875 0.000) 7.370 2.711 ( -6.019 -7.272 0.000) 9.440 2.828 ( -6.722 3.448 0.000) 7.555 2.879 ( -8.432 4.638 0.000) 9.624 2.915 ( -3.687 -4.621 0.000) 5.911 3.045 ( -7.828 -10.378 0.000) 12.999 3.432 ( -2.053 6.660 0.000) 6.969 3.473 ( -0.790 9.369 0.000) 9.402 3.514 ( -0.168 -1.594 0.000) 1.603 3.544 ( -3.039 7.939 0.000) 8.500 3.565 ( 0.977 1.288 0.000) 1.617 3.591 ( -0.246 -3.959 0.000) 3.966 3.648 ( 1.170 -5.899 0.000) 6.014 3.732 ( -0.958 -8.571 0.000) 8.624 3.733 ( 8.346 2.428 0.000) 8.692 3.783 ( 6.572 -1.754 0.000) 6.802 4.074 ( -7.980 1.756 0.000) 8.171 4.094 ( -5.625 -1.563 0.000) 5.839 4.283 ( -3.280 14.425 0.000) 14.793 4.300 ( -0.785 27.360 0.000) 27.371 4.504 ( 3.588 -5.002 0.000) 6.156 4.681 ( 14.240 3.755 0.000) 14.727 4.717 ( -3.091 -12.080 0.000) 12.469 4.781 ( 15.349 -6.199 0.000) 16.553 5.220 ( -9.774 4.601 0.000) 10.802 5.221 ( 2.520 2.338 0.000) 3.437 5.262 ( 3.060 -1.694 0.000) 3.497 5.299 ( -7.296 -0.198 0.000) 7.299 5.373 ( -5.353 0.012 0.000) 5.353 5.374 ( -1.414 0.512 0.000) 1.504 5.489 ( 0.474 4.285 0.000) 4.311 5.493 ( 1.509 3.022 0.000) 3.378 5.587 ( 1.926 -5.286 0.000) 5.626 5.616 ( 1.464 -10.324 0.000) 10.427 6.693 ( -1.341 14.528 0.000) 14.590 6.724 ( -1.684 11.330 0.000) 11.455 6.777 ( 1.319 5.037 0.000) 5.207 6.831 ( -1.833 0.854 0.000) 2.022 7.238 ( -0.407 2.086 0.000) 2.125 7.306 ( -3.896 1.611 0.000) 4.216 7.332 ( -1.368 -5.062 0.000) 5.243 7.383 ( -2.573 -2.510 0.000) 3.594 7.404 ( 0.867 12.787 0.000) 12.817 7.563 ( -6.125 6.527 0.000) 8.951 7.672 ( 0.781 -12.234 0.000) 12.259 7.734 ( -2.281 -8.449 0.000) 8.752 8.021 ( 8.807 10.877 0.000) 13.995 8.185 ( 7.353 -5.280 0.000) 9.053 8.513 ( -10.605 3.171 0.000) 11.069 8.539 ( -6.168 0.306 0.000) 6.176 8.827 ( 4.740 1.803 0.000) 5.071 8.834 ( 5.583 1.123 0.000) 5.695 8.862 ( 6.901 6.593 0.000) 9.544 8.996 ( 3.033 -6.226 0.000) 6.926 9.290 ( 9.283 12.134 0.000) 15.277 9.419 ( 4.165 -1.999 0.000) 4.620 9.637 ( -1.901 21.164 0.000) 21.249 9.940 ( -8.885 -9.445 0.000) 12.967 10.081 ( 5.250 7.093 0.000) 8.825 10.277 ( 8.943 -11.070 0.000) 14.231 10.315 ( -9.177 16.884 0.000) 19.217 10.612 ( -1.521 -10.857 0.000) 10.963 10.678 ( 21.463 12.355 0.000) 24.765 10.882 ( 15.294 -6.873 0.000) 16.768 11.460 ( -5.548 20.585 0.000) 21.319 11.510 ( -1.330 24.220 0.000) 24.257 11.644 ( -2.797 12.362 0.000) 12.675 11.747 ( -11.381 -4.093 0.000) 12.094 11.753 ( 0.710 0.217 0.000) 0.742 11.942 ( -12.569 -5.938 0.000) 13.902 12.189 ( -5.646 15.066 0.000) 16.090 12.214 ( 0.651 7.152 0.000) 7.182 12.340 ( -6.884 -0.883 0.000) 6.940 12.351 ( -7.068 2.766 0.000) 7.590 12.532 ( 2.643 7.524 0.000) 7.975 12.570 ( 2.372 4.210 0.000) 4.832 12.856 ( 2.295 -15.043 0.000) 15.217 12.902 ( -0.695 -18.450 0.000) 18.463 12.965 ( 4.705 13.862 0.000) 14.638 13.199 ( -4.681 12.201 0.000) 13.068 13.336 ( 2.458 -16.192 0.000) 16.378 13.465 ( -2.544 -13.971 0.000) 14.201 14.624 ( -1.286 10.182 0.000) 10.263 14.692 ( -3.543 21.822 0.000) 22.108 14.837 ( 2.816 -9.676 0.000) 10.077 14.914 ( 0.402 3.080 0.000) 3.106 15.161 ( 0.850 -2.540 0.000) 2.679 15.295 ( -4.425 14.880 0.000) 15.524 15.424 ( 3.778 -23.352 0.000) 23.656 15.596 ( -2.184 -13.082 0.000) 13.263 16.540 ( 8.972 5.819 0.000) 10.694 16.771 ( 14.242 -15.717 0.000) 21.210 16.971 ( -4.964 13.771 0.000) 14.638 17.125 ( -1.023 5.688 0.000) 5.780 17.182 ( -1.758 4.447 0.000) 4.782 17.309 ( 3.346 -8.023 0.000) 8.692 17.354 ( -9.021 -8.489 0.000) 12.387 17.460 ( -3.323 -12.061 0.000) 12.510 ======================= Grid point 22 (15/60) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( -2.166 8.757 0.000) 9.021 1.990 ( 2.166 8.757 0.000) 9.021 2.107 ( -2.902 -3.079 0.000) 4.231 2.107 ( 2.902 -3.079 0.000) 4.231 2.324 ( -13.507 9.654 0.000) 16.602 2.324 ( 13.507 9.654 0.000) 16.602 2.481 ( -7.460 -3.943 0.000) 8.438 2.481 ( 7.460 -3.943 0.000) 8.438 2.606 ( -0.983 -1.346 0.000) 1.667 2.606 ( 0.983 -1.346 0.000) 1.667 2.700 ( -1.724 -7.836 0.000) 8.023 2.700 ( 1.724 -7.836 0.000) 8.023 2.739 ( -2.635 3.819 0.000) 4.640 2.739 ( 2.635 3.819 0.000) 4.640 2.885 ( -4.766 -10.050 0.000) 11.123 2.885 ( 4.766 -10.050 0.000) 11.123 3.431 ( -1.797 10.220 0.000) 10.377 3.431 ( 1.797 10.220 0.000) 10.377 3.511 ( -0.195 0.709 0.000) 0.736 3.511 ( 0.195 0.709 0.000) 0.736 3.592 ( -0.852 -0.841 0.000) 1.197 3.592 ( 0.852 -0.841 0.000) 1.197 3.678 ( -2.546 -7.405 0.000) 7.830 3.678 ( 2.546 -7.405 0.000) 7.830 3.918 ( -8.474 0.575 0.000) 8.493 3.918 ( 8.474 0.575 0.000) 8.493 3.938 ( -8.199 -1.652 0.000) 8.364 3.938 ( 8.199 -1.652 0.000) 8.364 4.275 ( -1.339 24.268 0.000) 24.305 4.275 ( 1.339 24.268 0.000) 24.305 4.617 ( -6.188 -8.339 0.000) 10.384 4.617 ( 6.188 -8.339 0.000) 10.384 4.973 ( -13.665 3.513 0.000) 14.109 4.973 ( 13.665 3.513 0.000) 14.109 5.083 ( -13.265 -6.240 0.000) 14.659 5.083 ( 13.265 -6.240 0.000) 14.659 5.283 ( -3.489 2.967 0.000) 4.580 5.283 ( 3.489 2.967 0.000) 4.580 5.328 ( -2.997 -1.165 0.000) 3.215 5.328 ( 2.997 -1.165 0.000) 3.215 5.501 ( -0.428 4.598 0.000) 4.618 5.501 ( 0.428 4.598 0.000) 4.618 5.621 ( -0.952 -8.008 0.000) 8.064 5.621 ( 0.952 -8.008 0.000) 8.064 6.689 ( -1.139 13.513 0.000) 13.561 6.689 ( 1.139 13.513 0.000) 13.561 6.801 ( -1.085 2.307 0.000) 2.549 6.801 ( 1.085 2.307 0.000) 2.549 7.245 ( -1.477 1.353 0.000) 2.003 7.245 ( 1.477 1.353 0.000) 2.003 7.329 ( -1.726 -5.313 0.000) 5.587 7.329 ( 1.726 -5.313 0.000) 5.587 7.456 ( -3.963 12.246 0.000) 12.872 7.456 ( 3.963 12.246 0.000) 12.872 7.696 ( -1.476 -10.943 0.000) 11.043 7.696 ( 1.476 -10.943 0.000) 11.043 8.249 ( -13.003 8.293 0.000) 15.422 8.249 ( 13.003 8.293 0.000) 15.422 8.364 ( -9.527 -3.321 0.000) 10.090 8.364 ( 9.527 -3.321 0.000) 10.090 8.910 ( -2.181 4.766 0.000) 5.242 8.910 ( 2.181 4.766 0.000) 5.242 8.959 ( -5.370 -1.457 0.000) 5.564 8.959 ( 5.370 -1.457 0.000) 5.564 9.551 ( -7.555 11.078 0.000) 13.409 9.551 ( 7.555 11.078 0.000) 13.409 9.638 ( -18.314 2.573 0.000) 18.494 9.638 ( 18.314 2.573 0.000) 18.494 10.174 ( -4.741 10.936 0.000) 11.920 10.174 ( 4.741 10.936 0.000) 11.920 10.485 ( -9.833 -16.705 0.000) 19.384 10.485 ( 9.833 -16.705 0.000) 19.384 11.213 ( -25.821 9.908 0.000) 27.657 11.213 ( 25.821 9.908 0.000) 27.657 11.311 ( -22.319 4.427 0.000) 22.754 11.311 ( 22.319 4.427 0.000) 22.754 11.516 ( -5.160 17.886 0.000) 18.615 11.516 ( 5.160 17.886 0.000) 18.615 11.772 ( -1.624 -1.984 0.000) 2.564 11.772 ( 1.624 -1.984 0.000) 2.564 12.211 ( -5.013 8.506 0.000) 9.873 12.211 ( 5.013 8.506 0.000) 9.873 12.245 ( -2.124 4.189 0.000) 4.697 12.245 ( 2.124 4.189 0.000) 4.697 12.584 ( -1.179 3.069 0.000) 3.288 12.584 ( 1.179 3.069 0.000) 3.288 12.885 ( -0.977 -19.488 0.000) 19.512 12.885 ( 0.977 -19.488 0.000) 19.512 13.081 ( -6.190 15.246 0.000) 16.454 13.081 ( 6.190 15.246 0.000) 16.454 13.399 ( -3.508 -15.582 0.000) 15.972 13.399 ( 3.508 -15.582 0.000) 15.972 14.631 ( -1.948 17.485 0.000) 17.594 14.631 ( 1.948 17.485 0.000) 17.594 14.892 ( -2.269 -5.448 0.000) 5.902 14.892 ( 2.269 -5.448 0.000) 5.902 15.209 ( -3.596 7.817 0.000) 8.605 15.209 ( 3.596 7.817 0.000) 8.605 15.517 ( -4.771 -19.803 0.000) 20.370 15.517 ( 4.771 -19.803 0.000) 20.370 16.783 ( -12.369 12.675 0.000) 17.710 16.783 ( 12.369 12.675 0.000) 17.710 17.064 ( -10.867 -13.611 0.000) 17.417 17.064 ( 10.867 -13.611 0.000) 17.417 17.168 ( -2.637 7.930 0.000) 8.357 17.168 ( 2.637 7.930 0.000) 8.357 17.383 ( -3.774 -11.965 0.000) 12.546 17.383 ( 3.774 -11.965 0.000) 12.546 ======================= Grid point 45 (16/60) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( 0.000 0.000 25.472) 25.472 0.674 ( 0.000 0.000 32.047) 32.047 1.038 ( 0.000 0.000 49.686) 49.686 1.714 ( 0.000 0.000 7.010) 7.010 1.914 ( 0.000 0.000 3.828) 3.828 1.933 ( 0.000 0.000 7.781) 7.781 2.233 ( 0.000 0.000 1.681) 1.681 2.364 ( 0.000 0.000 2.252) 2.252 2.535 ( 0.000 0.000 -7.834) 7.834 2.703 ( 0.000 0.000 -3.042) 3.042 2.712 ( 0.000 0.000 -7.372) 7.372 2.882 ( 0.000 0.000 -3.674) 3.674 2.969 ( 0.000 0.000 1.182) 1.182 3.025 ( 0.000 0.000 -3.051) 3.051 3.101 ( 0.000 0.000 -6.485) 6.485 3.106 ( 0.000 0.000 -3.587) 3.587 3.206 ( 0.000 0.000 -7.213) 7.213 3.213 ( 0.000 0.000 -2.967) 2.967 3.381 ( 0.000 0.000 -0.040) 0.040 3.411 ( 0.000 0.000 -1.542) 1.542 3.490 ( 0.000 0.000 -7.980) 7.980 3.629 ( 0.000 0.000 4.926) 4.926 3.674 ( 0.000 0.000 0.822) 0.822 3.792 ( 0.000 0.000 5.395) 5.395 3.801 ( 0.000 0.000 7.424) 7.424 3.981 ( 0.000 0.000 -0.469) 0.469 4.017 ( 0.000 0.000 -0.889) 0.889 4.090 ( 0.000 0.000 12.035) 12.035 4.138 ( 0.000 0.000 0.519) 0.519 4.261 ( 0.000 0.000 -3.135) 3.135 4.291 ( 0.000 0.000 7.585) 7.585 4.356 ( 0.000 0.000 1.142) 1.142 4.528 ( 0.000 0.000 -2.555) 2.555 4.593 ( 0.000 0.000 -4.594) 4.594 4.648 ( 0.000 0.000 3.570) 3.570 4.658 ( 0.000 0.000 -0.082) 0.082 4.764 ( 0.000 0.000 1.868) 1.868 4.896 ( 0.000 0.000 -1.474) 1.474 5.073 ( 0.000 0.000 -4.035) 4.035 5.106 ( 0.000 0.000 -3.412) 3.412 5.303 ( 0.000 0.000 3.466) 3.466 5.439 ( 0.000 0.000 -0.472) 0.472 5.556 ( 0.000 0.000 4.932) 4.932 5.590 ( 0.000 0.000 -3.650) 3.650 5.646 ( 0.000 0.000 0.132) 0.132 5.717 ( 0.000 0.000 -0.350) 0.350 6.054 ( 0.000 0.000 -11.141) 11.141 6.158 ( 0.000 0.000 12.055) 12.055 6.320 ( 0.000 0.000 -0.075) 0.075 6.798 ( 0.000 0.000 0.623) 0.623 6.819 ( 0.000 0.000 9.183) 9.183 7.093 ( 0.000 0.000 -2.013) 2.013 7.183 ( 0.000 0.000 -1.473) 1.473 7.361 ( 0.000 0.000 -3.554) 3.554 7.504 ( 0.000 0.000 -5.587) 5.587 7.870 ( 0.000 0.000 10.253) 10.253 7.955 ( 0.000 0.000 -5.222) 5.222 8.029 ( 0.000 0.000 -12.305) 12.305 8.074 ( 0.000 0.000 -7.676) 7.676 8.127 ( 0.000 0.000 1.940) 1.940 8.317 ( 0.000 0.000 0.010) 0.010 8.371 ( 0.000 0.000 1.401) 1.401 8.562 ( 0.000 0.000 6.626) 6.626 8.624 ( 0.000 0.000 7.897) 7.897 8.824 ( 0.000 0.000 11.778) 11.778 8.875 ( 0.000 0.000 -1.548) 1.548 9.109 ( 0.000 0.000 -1.892) 1.892 9.214 ( 0.000 0.000 -11.268) 11.268 9.224 ( 0.000 0.000 0.764) 0.764 9.591 ( 0.000 0.000 -5.875) 5.875 10.196 ( 0.000 0.000 -8.509) 8.509 10.426 ( 0.000 0.000 -6.656) 6.656 10.527 ( 0.000 0.000 4.183) 4.183 10.578 ( 0.000 0.000 -8.519) 8.519 10.652 ( 0.000 0.000 -0.531) 0.531 10.735 ( 0.000 0.000 1.905) 1.905 10.748 ( 0.000 0.000 8.278) 8.278 10.863 ( 0.000 0.000 5.370) 5.370 11.361 ( 0.000 0.000 0.294) 0.294 11.513 ( 0.000 0.000 -0.834) 0.834 11.573 ( 0.000 0.000 -2.152) 2.152 11.575 ( 0.000 0.000 -7.865) 7.865 11.665 ( 0.000 0.000 -21.202) 21.202 11.706 ( 0.000 0.000 -5.783) 5.783 12.618 ( 0.000 0.000 13.844) 13.844 12.676 ( 0.000 0.000 8.124) 8.124 12.908 ( 0.000 0.000 11.861) 11.861 13.069 ( 0.000 0.000 -1.141) 1.141 13.069 ( 0.000 0.000 -1.306) 1.306 13.581 ( 0.000 0.000 1.853) 1.853 13.620 ( 0.000 0.000 0.695) 0.695 13.930 ( 0.000 0.000 4.958) 4.958 14.056 ( 0.000 0.000 2.852) 2.852 14.461 ( 0.000 0.000 -1.796) 1.796 14.563 ( 0.000 0.000 -2.665) 2.665 14.937 ( 0.000 0.000 9.373) 9.373 15.181 ( 0.000 0.000 -6.140) 6.140 15.508 ( 0.000 0.000 -24.692) 24.692 15.705 ( 0.000 0.000 -2.922) 2.922 15.867 ( 0.000 0.000 3.478) 3.478 16.542 ( 0.000 0.000 -4.272) 4.272 16.571 ( 0.000 0.000 6.461) 6.461 17.150 ( 0.000 0.000 7.525) 7.525 17.479 ( 0.000 0.000 -0.616) 0.616 17.618 ( 0.000 0.000 -1.395) 1.395 18.023 ( 0.000 0.000 -3.747) 3.747 18.055 ( 0.000 0.000 5.945) 5.945 18.227 ( 0.000 0.000 5.495) 5.495 ======================= Grid point 46 (17/60) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 14.159 0.000 18.734) 23.483 0.776 ( 19.231 0.000 18.164) 26.453 1.415 ( -18.209 0.000 8.226) 19.981 1.565 ( 29.930 0.000 31.693) 43.592 1.774 ( -8.823 0.000 8.647) 12.353 2.200 ( 16.708 0.000 2.071) 16.836 2.254 ( 1.888 0.000 0.952) 2.115 2.360 ( -0.422 0.000 3.184) 3.212 2.560 ( 2.201 0.000 -7.617) 7.928 2.676 ( 0.177 0.000 -3.968) 3.972 2.770 ( -7.961 0.000 -4.040) 8.927 2.790 ( 2.202 0.000 -7.724) 8.032 2.898 ( -9.142 0.000 0.121) 9.143 2.913 ( -2.886 0.000 -0.881) 3.017 2.981 ( -8.562 0.000 -3.755) 9.349 3.091 ( -5.074 0.000 1.122) 5.196 3.235 ( -4.411 0.000 0.860) 4.494 3.240 ( 7.971 0.000 -5.127) 9.477 3.385 ( -3.678 0.000 1.128) 3.847 3.448 ( -2.640 0.000 -5.778) 6.352 3.484 ( 5.316 0.000 -2.160) 5.738 3.559 ( -18.040 0.000 11.741) 21.524 3.613 ( -0.674 0.000 5.026) 5.071 3.678 ( -1.014 0.000 3.241) 3.396 3.731 ( -5.332 0.000 7.008) 8.806 3.873 ( -7.299 0.000 -1.845) 7.529 3.938 ( 10.973 0.000 2.324) 11.217 4.085 ( 1.376 0.000 0.006) 1.376 4.111 ( -2.124 0.000 -0.298) 2.145 4.296 ( 2.231 0.000 -2.610) 3.433 4.336 ( -2.771 0.000 1.635) 3.217 4.451 ( 0.252 0.000 2.543) 2.555 4.454 ( -4.576 0.000 -0.786) 4.643 4.607 ( -3.549 0.000 -4.089) 5.414 4.721 ( 4.264 0.000 -1.343) 4.470 4.730 ( 11.666 0.000 4.349) 12.450 4.872 ( -2.340 0.000 -1.507) 2.783 4.946 ( 13.603 0.000 1.709) 13.710 5.031 ( -3.527 0.000 -2.488) 4.316 5.161 ( 3.270 0.000 -4.069) 5.220 5.322 ( 4.593 0.000 3.028) 5.501 5.442 ( 0.517 0.000 0.197) 0.553 5.515 ( -2.650 0.000 3.927) 4.738 5.579 ( -1.443 0.000 -4.821) 5.032 5.676 ( -2.687 0.000 -0.001) 2.687 5.708 ( 0.148 0.000 -3.176) 3.179 6.102 ( 3.534 0.000 -3.542) 5.004 6.184 ( 0.804 0.000 2.098) 2.247 6.422 ( 9.679 0.000 2.426) 9.979 6.725 ( -2.126 0.000 0.112) 2.129 7.055 ( 16.683 0.000 6.526) 17.914 7.089 ( -0.153 0.000 -1.897) 1.903 7.150 ( -2.661 0.000 -1.339) 2.978 7.395 ( 2.672 0.000 -3.903) 4.730 7.485 ( -1.457 0.000 -4.834) 5.049 7.675 ( -13.098 0.000 7.696) 15.192 7.763 ( -12.044 0.000 -0.473) 12.053 7.944 ( -13.192 0.000 -7.684) 15.266 8.084 ( 1.778 0.000 -4.110) 4.478 8.173 ( 1.510 0.000 0.987) 1.804 8.252 ( -1.803 0.000 4.425) 4.778 8.344 ( -1.434 0.000 -7.298) 7.437 8.663 ( 7.156 0.000 5.233) 8.865 8.716 ( 9.223 0.000 3.017) 9.704 8.974 ( 7.490 0.000 6.038) 9.621 8.980 ( 6.428 0.000 0.680) 6.464 9.086 ( -2.506 0.000 -2.279) 3.388 9.186 ( -1.028 0.000 -3.502) 3.649 9.226 ( -1.003 0.000 -5.449) 5.540 9.344 ( -13.810 0.000 4.068) 14.396 10.021 ( -2.693 0.000 -2.253) 3.511 10.264 ( -7.220 0.000 -1.125) 7.307 10.422 ( -13.048 0.000 7.806) 15.205 10.432 ( -12.603 0.000 -1.201) 12.660 10.815 ( 11.496 0.000 -2.547) 11.775 10.831 ( 13.959 0.000 -7.485) 15.839 10.919 ( 13.593 0.000 -2.990) 13.918 11.024 ( 5.760 0.000 4.717) 7.445 11.378 ( 1.267 0.000 -0.339) 1.311 11.411 ( -10.890 0.000 -6.721) 12.797 11.464 ( -3.219 0.000 -1.134) 3.413 11.586 ( -8.819 0.000 -17.269) 19.390 11.607 ( 2.032 0.000 -2.027) 2.870 11.687 ( -1.745 0.000 -4.892) 5.194 12.670 ( 1.352 0.000 12.625) 12.697 12.728 ( 0.621 0.000 14.716) 14.729 13.024 ( -1.177 0.000 -0.944) 1.509 13.081 ( -1.192 0.000 0.931) 1.512 13.306 ( 20.285 0.000 -14.986) 25.220 13.596 ( -0.150 0.000 -0.911) 0.924 13.640 ( 3.070 0.000 2.084) 3.710 13.854 ( -5.955 0.000 4.545) 7.491 14.133 ( 6.711 0.000 1.378) 6.851 14.415 ( -4.432 0.000 -1.537) 4.691 14.623 ( 5.720 0.000 6.414) 8.594 14.911 ( -4.053 0.000 8.608) 9.515 15.130 ( 0.095 0.000 -9.827) 9.828 15.388 ( -8.448 0.000 -21.988) 23.555 15.774 ( 4.342 0.000 -4.420) 6.196 15.890 ( -0.191 0.000 -0.778) 0.801 16.643 ( 6.285 0.000 2.036) 6.607 16.692 ( 7.632 0.000 -8.385) 11.338 17.137 ( -0.309 0.000 8.678) 8.683 17.395 ( -8.368 0.000 2.246) 8.664 17.692 ( 4.992 0.000 -1.685) 5.269 17.851 ( -5.994 0.000 3.522) 6.952 18.100 ( 0.608 0.000 5.773) 5.805 18.171 ( -3.078 0.000 8.086) 8.652 ======================= Grid point 47 (18/60) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -18.002 0.000 11.769) 21.507 1.040 ( 18.002 0.000 11.769) 21.507 1.283 ( -25.600 0.000 5.573) 26.200 1.283 ( 25.600 0.000 5.573) 26.200 2.255 ( -8.587 0.000 5.401) 10.144 2.255 ( 8.587 0.000 5.401) 10.144 2.480 ( -25.426 0.000 14.781) 29.410 2.480 ( 25.426 0.000 14.781) 29.410 2.504 ( -11.403 0.000 -4.105) 12.120 2.504 ( 11.403 0.000 -4.105) 12.120 2.715 ( -6.128 0.000 -0.489) 6.147 2.715 ( 6.128 0.000 -0.489) 6.147 2.763 ( -0.826 0.000 -3.322) 3.424 2.763 ( 0.826 0.000 -3.322) 3.424 2.958 ( -5.503 0.000 -2.506) 6.047 2.958 ( 5.503 0.000 -2.506) 6.047 3.205 ( -5.002 0.000 2.711) 5.690 3.205 ( 5.002 0.000 2.711) 5.690 3.378 ( -4.966 0.000 -6.056) 7.831 3.378 ( 4.966 0.000 -6.056) 7.831 3.557 ( -4.138 0.000 -0.456) 4.163 3.557 ( 4.138 0.000 -0.456) 4.163 3.633 ( -3.181 0.000 6.706) 7.422 3.633 ( 3.181 0.000 6.706) 7.422 3.712 ( -7.462 0.000 -0.485) 7.477 3.712 ( 7.462 0.000 -0.485) 7.477 4.089 ( -0.322 0.000 0.565) 0.650 4.089 ( 0.322 0.000 0.565) 0.650 4.170 ( -10.561 0.000 -0.055) 10.561 4.170 ( 10.561 0.000 -0.055) 10.561 4.377 ( -3.549 0.000 0.472) 3.580 4.377 ( 3.549 0.000 0.472) 3.580 4.504 ( -4.832 0.000 0.192) 4.836 4.504 ( 4.832 0.000 0.192) 4.836 4.805 ( -3.855 0.000 -1.762) 4.239 4.805 ( 3.855 0.000 -1.762) 4.239 4.923 ( -7.111 0.000 -0.317) 7.118 4.923 ( 7.111 0.000 -0.317) 7.118 5.154 ( -5.134 0.000 -2.012) 5.514 5.154 ( 5.134 0.000 -2.012) 5.514 5.468 ( -1.916 0.000 2.171) 2.895 5.468 ( 1.916 0.000 2.171) 2.895 5.480 ( -8.370 0.000 -1.198) 8.456 5.480 ( 8.370 0.000 -1.198) 8.456 5.666 ( -2.332 0.000 -1.305) 2.673 5.666 ( 2.332 0.000 -1.305) 2.673 6.168 ( -2.312 0.000 -1.151) 2.583 6.168 ( 2.312 0.000 -1.151) 2.583 6.633 ( -8.401 0.000 0.487) 8.416 6.633 ( 8.401 0.000 0.487) 8.416 7.102 ( -1.594 0.000 -1.426) 2.139 7.102 ( 1.594 0.000 -1.426) 2.139 7.425 ( -15.206 0.000 8.429) 17.386 7.425 ( 15.206 0.000 8.429) 17.386 7.448 ( -2.232 0.000 -4.438) 4.968 7.448 ( 2.232 0.000 -4.438) 4.968 7.650 ( -7.115 0.000 -3.833) 8.081 7.650 ( 7.115 0.000 -3.833) 8.081 8.138 ( -2.954 0.000 -1.120) 3.159 8.138 ( 2.954 0.000 -1.120) 3.159 8.294 ( -3.280 0.000 -1.665) 3.679 8.294 ( 3.280 0.000 -1.665) 3.679 8.803 ( -3.677 0.000 4.453) 5.775 8.803 ( 3.677 0.000 4.453) 5.775 9.048 ( -1.275 0.000 -1.693) 2.120 9.048 ( 1.275 0.000 -1.693) 2.120 9.119 ( -8.623 0.000 2.034) 8.859 9.119 ( 8.623 0.000 2.034) 8.859 9.191 ( -1.604 0.000 -4.147) 4.446 9.191 ( 1.604 0.000 -4.147) 4.446 10.155 ( -12.703 0.000 -0.451) 12.711 10.155 ( 12.703 0.000 -0.451) 12.711 10.225 ( -4.255 0.000 3.662) 5.614 10.225 ( 4.255 0.000 3.662) 5.614 11.018 ( -6.328 0.000 -0.597) 6.356 11.018 ( 6.328 0.000 -0.597) 6.356 11.080 ( -8.322 0.000 -6.498) 10.558 11.080 ( 8.322 0.000 -6.498) 10.558 11.336 ( -11.939 0.000 -11.040) 16.261 11.336 ( 11.939 0.000 -11.040) 16.261 11.408 ( -2.022 0.000 -1.053) 2.279 11.408 ( 2.022 0.000 -1.053) 2.279 11.647 ( -1.959 0.000 -2.862) 3.468 11.647 ( 1.959 0.000 -2.862) 3.468 12.708 ( -1.965 0.000 13.309) 13.454 12.708 ( 1.965 0.000 13.309) 13.454 13.038 ( -2.156 0.000 1.126) 2.433 13.038 ( 2.156 0.000 1.126) 2.433 13.543 ( -5.542 0.000 -6.648) 8.655 13.543 ( 5.542 0.000 -6.648) 8.655 13.734 ( -5.374 0.000 3.445) 6.383 13.734 ( 5.374 0.000 3.445) 6.383 14.288 ( -7.516 0.000 -0.575) 7.538 14.288 ( 7.516 0.000 -0.575) 7.538 14.774 ( -8.082 0.000 10.099) 12.935 14.774 ( 8.082 0.000 10.099) 12.935 15.220 ( -7.222 0.000 -18.476) 19.837 15.220 ( 7.222 0.000 -18.476) 19.837 15.852 ( -3.103 0.000 -2.679) 4.099 15.852 ( 3.103 0.000 -2.679) 4.099 16.749 ( -2.149 0.000 -4.805) 5.263 16.749 ( 2.149 0.000 -4.805) 5.263 17.201 ( -7.535 0.000 9.387) 12.037 17.201 ( 7.535 0.000 9.387) 12.037 17.783 ( -3.349 0.000 -2.137) 3.972 17.783 ( 3.349 0.000 -2.137) 3.972 18.119 ( -1.785 0.000 8.263) 8.454 18.119 ( 1.785 0.000 8.263) 8.454 ======================= Grid point 50 (19/60) ======================= q-point: ( 0.00 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 0.000 11.894 26.106) 28.688 0.936 ( 0.000 18.434 25.155) 31.187 1.439 ( 0.000 42.197 25.876) 49.499 1.933 ( 0.000 11.513 6.055) 13.008 1.966 ( 0.000 9.408 7.129) 11.804 2.085 ( 0.000 13.473 3.677) 13.966 2.231 ( 0.000 -0.141 1.664) 1.670 2.371 ( 0.000 1.620 1.793) 2.417 2.572 ( 0.000 3.290 -6.086) 6.918 2.664 ( 0.000 -1.617 -2.503) 2.980 2.704 ( 0.000 -0.409 -6.170) 6.184 2.936 ( 0.000 -4.273 -0.578) 4.312 2.952 ( 0.000 -4.747 -2.123) 5.201 3.007 ( 0.000 -4.448 1.970) 4.864 3.011 ( 0.000 9.236 -1.592) 9.372 3.077 ( 0.000 -3.172 -6.276) 7.032 3.188 ( 0.000 -2.207 -2.780) 3.550 3.197 ( 0.000 -2.633 -7.342) 7.799 3.376 ( 0.000 0.398 -2.540) 2.571 3.382 ( 0.000 0.168 -2.216) 2.222 3.526 ( 0.000 1.540 -5.938) 6.135 3.663 ( 0.000 0.028 0.103) 0.107 3.746 ( 0.000 -8.847 3.214) 9.413 3.821 ( 0.000 -0.037 4.409) 4.409 3.843 ( 0.000 10.505 5.243) 11.740 3.989 ( 0.000 9.271 4.331) 10.233 3.999 ( 0.000 -1.469 -0.362) 1.513 4.089 ( 0.000 -4.292 -0.002) 4.292 4.110 ( 0.000 2.771 7.803) 8.280 4.191 ( 0.000 -1.532 6.179) 6.366 4.479 ( 0.000 -1.492 4.419) 4.664 4.502 ( 0.000 -3.045 -2.288) 3.809 4.522 ( 0.000 12.024 -1.323) 12.096 4.632 ( 0.000 6.785 -0.251) 6.789 4.721 ( 0.000 -3.530 1.701) 3.919 4.761 ( 0.000 18.163 -2.214) 18.297 4.803 ( 0.000 20.056 2.376) 20.197 5.050 ( 0.000 10.682 -1.131) 10.742 5.095 ( 0.000 2.561 -3.996) 4.746 5.129 ( 0.000 3.828 -3.241) 5.016 5.346 ( 0.000 6.993 4.102) 8.107 5.452 ( 0.000 1.568 1.098) 1.915 5.551 ( 0.000 -3.158 -3.369) 4.617 5.589 ( 0.000 1.474 4.780) 5.002 5.743 ( 0.000 10.743 -0.283) 10.747 5.771 ( 0.000 5.433 0.465) 5.453 6.129 ( 0.000 5.664 -8.710) 10.389 6.339 ( 0.000 2.119 -1.109) 2.392 6.500 ( 0.000 33.031 8.283) 34.053 6.796 ( 0.000 0.587 -2.996) 3.053 7.137 ( 0.000 2.266 -2.563) 3.421 7.184 ( 0.000 2.037 -0.749) 2.170 7.195 ( 0.000 16.813 -8.850) 19.000 7.384 ( 0.000 5.912 -4.305) 7.313 7.500 ( 0.000 2.793 -5.591) 6.250 7.840 ( 0.000 -6.003 -2.482) 6.496 7.891 ( 0.000 1.237 13.950) 14.005 8.004 ( 0.000 -1.849 -5.313) 5.626 8.181 ( 0.000 7.589 -15.968) 17.679 8.283 ( 0.000 -2.080 3.518) 4.087 8.305 ( 0.000 11.263 -0.643) 11.282 8.419 ( 0.000 6.365 1.027) 6.447 8.554 ( 0.000 -0.508 4.248) 4.278 8.712 ( 0.000 6.698 8.451) 10.783 8.902 ( 0.000 5.845 8.323) 10.171 9.011 ( 0.000 10.847 -5.638) 12.224 9.236 ( 0.000 3.689 -9.072) 9.793 9.312 ( 0.000 16.904 -1.292) 16.953 9.397 ( 0.000 15.808 0.331) 15.811 9.652 ( 0.000 8.938 -3.036) 9.439 10.128 ( 0.000 -5.800 -8.423) 10.227 10.201 ( 0.000 -13.288 19.165) 23.320 10.562 ( 0.000 -1.675 -7.152) 7.345 10.594 ( 0.000 5.158 3.136) 6.036 10.636 ( 0.000 0.040 -0.082) 0.092 10.649 ( 0.000 1.440 8.101) 8.228 10.929 ( 0.000 14.680 0.275) 14.683 10.951 ( 0.000 8.035 5.562) 9.772 11.304 ( 0.000 -2.181 -5.074) 5.523 11.569 ( 0.000 1.378 -4.491) 4.698 11.627 ( 0.000 11.510 -2.087) 11.697 11.631 ( 0.000 3.868 -2.601) 4.661 11.745 ( 0.000 4.169 -8.583) 9.542 11.778 ( 0.000 9.126 -14.126) 16.817 12.657 ( 0.000 -1.743 7.504) 7.703 12.682 ( 0.000 5.967 5.421) 8.061 12.755 ( 0.000 -0.852 14.597) 14.622 13.056 ( 0.000 -1.835 0.080) 1.837 13.449 ( 0.000 7.751 -10.685) 13.200 13.542 ( 0.000 -3.505 0.401) 3.528 13.597 ( 0.000 -2.392 0.664) 2.482 13.958 ( 0.000 3.128 3.611) 4.777 14.026 ( 0.000 -3.236 2.060) 3.836 14.466 ( 0.000 1.014 -0.363) 1.077 14.586 ( 0.000 2.178 -2.542) 3.347 14.947 ( 0.000 0.357 7.723) 7.731 15.175 ( 0.000 -0.730 -5.924) 5.969 15.489 ( 0.000 -1.699 -23.413) 23.474 15.658 ( 0.000 -5.251 -2.814) 5.957 16.128 ( 0.000 17.901 -17.883) 25.303 16.464 ( 0.000 -7.827 -3.868) 8.730 16.563 ( 0.000 -0.777 4.451) 4.518 17.121 ( 0.000 -2.721 8.936) 9.341 17.415 ( 0.000 -6.632 -0.850) 6.686 17.544 ( 0.000 -7.226 -1.945) 7.483 17.869 ( 0.000 -11.503 6.700) 13.312 18.024 ( 0.000 -3.070 6.154) 6.878 18.146 ( 0.000 -5.532 7.177) 9.062 ======================= Grid point 51 (20/60) ======================= q-point: ( 0.25 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 16.887 12.329 14.260) 25.308 1.169 ( 12.467 27.890 13.222) 33.288 1.687 ( -0.263 17.962 13.216) 22.302 1.721 ( -5.788 19.806 11.811) 23.775 1.849 ( 4.860 12.026 14.059) 19.129 2.243 ( 1.469 -0.803 0.832) 1.869 2.274 ( 6.948 2.695 3.376) 8.181 2.423 ( 7.128 8.134 2.375) 11.073 2.586 ( 1.266 2.051 -6.743) 7.161 2.645 ( 0.375 -1.267 -3.813) 4.035 2.782 ( 2.689 0.817 -6.076) 6.694 2.833 ( -5.804 -2.073 -4.492) 7.626 2.869 ( -5.463 -2.629 -1.830) 6.333 2.922 ( -6.872 5.748 1.484) 9.081 3.002 ( -7.144 2.506 -4.623) 8.871 3.024 ( 0.568 -4.529 2.890) 5.402 3.160 ( -4.595 -3.965 0.441) 6.086 3.282 ( 4.996 -2.485 -4.759) 7.334 3.383 ( -1.131 1.471 0.515) 1.925 3.436 ( -0.420 -1.669 -2.599) 3.118 3.505 ( -5.799 0.109 -0.414) 5.814 3.548 ( -8.259 0.926 4.562) 9.480 3.670 ( -1.270 2.032 1.072) 2.625 3.736 ( -3.638 0.221 5.571) 6.658 3.772 ( -2.378 0.753 5.596) 6.127 3.900 ( -6.376 8.065 0.991) 10.329 3.991 ( 7.457 1.340 0.321) 7.583 4.054 ( 0.476 -1.137 -0.679) 1.407 4.092 ( 0.924 0.166 1.271) 1.580 4.369 ( -2.356 -1.534 1.844) 3.362 4.431 ( -2.735 1.851 -1.406) 3.589 4.492 ( -5.275 -4.040 -2.072) 6.960 4.549 ( 6.474 9.838 3.260) 12.220 4.595 ( 1.349 15.006 0.895) 15.093 4.771 ( 4.336 13.311 0.992) 14.034 4.862 ( 4.292 10.414 -1.234) 11.331 4.936 ( 8.965 2.328 -0.552) 9.279 5.043 ( 0.723 9.783 0.922) 9.853 5.057 ( -3.103 2.535 -3.080) 5.054 5.173 ( 2.277 2.219 -2.984) 4.361 5.372 ( 3.251 5.985 1.834) 7.054 5.431 ( -0.783 -1.074 0.237) 1.350 5.543 ( -0.531 2.936 2.763) 4.066 5.622 ( 1.899 3.865 -1.266) 4.489 5.730 ( -2.867 5.767 1.272) 6.564 5.758 ( -0.387 7.499 -0.525) 7.527 6.156 ( 2.267 3.864 -6.369) 7.786 6.275 ( -3.582 4.730 -0.555) 5.959 6.666 ( 12.502 27.889 5.028) 30.974 6.891 ( 6.593 4.673 -8.541) 11.758 7.106 ( -1.617 3.689 -3.173) 5.127 7.176 ( -2.012 6.624 -2.183) 7.258 7.242 ( 6.404 12.969 1.426) 14.534 7.392 ( 1.418 2.680 -2.561) 3.969 7.469 ( -1.876 -0.101 -4.100) 4.510 7.712 ( -10.451 1.891 3.398) 11.151 7.756 ( -10.141 0.911 6.274) 11.960 7.958 ( -11.522 1.650 -6.512) 13.337 8.087 ( 0.375 0.158 -4.899) 4.916 8.221 ( -5.271 2.684 4.961) 7.720 8.303 ( -2.321 4.913 2.433) 5.953 8.348 ( -1.965 2.970 -5.998) 6.975 8.731 ( 12.316 4.034 6.375) 14.442 8.806 ( 8.835 8.202 1.338) 12.129 8.936 ( 3.656 0.777 3.580) 5.175 9.072 ( -0.700 3.853 5.099) 6.429 9.216 ( 0.871 4.735 -10.220) 11.298 9.302 ( -0.873 15.744 -1.626) 15.852 9.380 ( -1.892 16.023 0.285) 16.137 9.495 ( -8.109 17.085 0.913) 18.934 10.036 ( 2.464 1.764 -2.379) 3.853 10.295 ( -5.603 3.965 1.693) 7.070 10.410 ( -8.761 0.110 1.826) 8.950 10.528 ( -5.398 6.416 2.538) 8.761 10.807 ( 12.346 -2.969 -5.339) 13.775 10.856 ( 8.209 3.971 -3.558) 9.788 10.945 ( 8.771 1.847 1.314) 9.059 11.067 ( 7.229 7.754 4.627) 11.566 11.281 ( -1.817 -1.861 -7.098) 7.560 11.529 ( -4.574 4.282 -6.033) 8.698 11.558 ( -3.280 7.452 -1.705) 8.318 11.649 ( -1.652 5.916 -5.544) 8.274 11.691 ( -3.933 7.445 -6.133) 10.417 11.731 ( -2.166 7.372 -7.160) 10.503 12.656 ( 1.282 -1.502 8.570) 8.794 12.732 ( -1.097 0.256 14.330) 14.374 12.846 ( 8.025 -5.659 2.123) 10.046 13.031 ( -2.258 -3.191 1.538) 4.201 13.490 ( 3.636 4.290 -9.129) 10.722 13.587 ( 3.119 -1.955 -0.609) 3.731 13.597 ( 0.708 -3.446 0.862) 3.622 13.862 ( -7.439 1.387 2.599) 8.001 14.099 ( 6.105 -2.386 1.054) 6.639 14.404 ( -5.733 -0.507 -1.062) 5.853 14.630 ( 4.615 1.012 4.810) 6.742 14.900 ( -4.924 -1.116 8.307) 9.721 15.167 ( 1.131 1.857 -9.738) 9.978 15.388 ( -7.192 -0.471 -19.297) 20.599 15.744 ( 6.077 -2.855 -5.049) 8.401 16.005 ( -7.080 9.162 -7.854) 13.991 16.597 ( 6.566 -6.005 -4.090) 9.793 16.640 ( 5.824 -3.449 -4.102) 7.915 17.100 ( -0.533 -3.390 10.214) 10.775 17.348 ( -7.364 -4.317 2.325) 8.847 17.611 ( 5.364 -8.044 -1.140) 9.735 17.786 ( -3.550 -5.792 3.518) 7.651 18.048 ( 0.877 -4.715 7.615) 9.000 18.120 ( -2.132 -4.645 7.414) 9.005 ======================= Grid point 52 (21/60) ======================= q-point: (-0.50 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -23.394 7.569 5.345) 25.162 1.359 ( 23.394 7.569 5.345) 25.162 1.425 ( -13.062 29.034 8.118) 32.855 1.425 ( 13.062 29.034 8.118) 32.855 2.241 ( -4.889 -0.249 2.797) 5.638 2.241 ( 4.889 -0.249 2.797) 5.638 2.499 ( -21.243 3.755 10.976) 24.204 2.499 ( 21.243 3.755 10.976) 24.204 2.615 ( -6.057 5.917 -3.033) 8.995 2.615 ( 6.057 5.917 -3.033) 8.995 2.704 ( -3.090 2.239 0.306) 3.828 2.704 ( 3.090 2.239 0.306) 3.828 2.816 ( -3.157 3.256 -1.395) 4.745 2.816 ( 3.157 3.256 -1.395) 4.745 2.937 ( -6.330 -0.562 -1.637) 6.563 2.937 ( 6.330 -0.562 -1.637) 6.563 3.149 ( -6.077 -4.385 5.006) 9.012 3.149 ( 6.077 -4.385 5.006) 9.012 3.400 ( -4.433 -1.625 -5.626) 7.345 3.400 ( 4.433 -1.625 -5.626) 7.345 3.554 ( -5.370 0.867 -1.009) 5.532 3.554 ( 5.370 0.867 -1.009) 5.532 3.675 ( -4.432 -0.663 0.006) 4.482 3.675 ( 4.432 -0.663 0.006) 4.482 3.774 ( -3.711 7.842 4.480) 9.765 3.774 ( 3.711 7.842 4.480) 9.765 4.045 ( -1.270 -2.940 -0.298) 3.217 4.045 ( 1.270 -2.940 -0.298) 3.217 4.242 ( -9.628 2.638 0.680) 10.005 4.242 ( 9.628 2.638 0.680) 10.005 4.410 ( -2.058 -3.811 0.157) 4.334 4.410 ( 2.058 -3.811 0.157) 4.334 4.611 ( -0.472 19.423 1.039) 19.457 4.611 ( 0.472 19.423 1.039) 19.457 4.896 ( -4.873 7.559 -1.532) 9.123 4.896 ( 4.873 7.559 -1.532) 9.123 4.968 ( -4.104 4.869 -1.170) 6.474 4.968 ( 4.104 4.869 -1.170) 6.474 5.161 ( -4.224 1.175 -0.630) 4.430 5.161 ( 4.224 1.175 -0.630) 4.430 5.430 ( -0.480 -1.247 -0.349) 1.381 5.430 ( 0.480 -1.247 -0.349) 1.381 5.581 ( -4.790 7.844 1.935) 9.392 5.581 ( 4.790 7.844 1.935) 9.392 5.724 ( -2.226 6.607 -0.163) 6.974 5.724 ( 2.226 6.607 -0.163) 6.974 6.210 ( -2.876 2.850 -3.105) 5.102 6.210 ( 2.876 2.850 -3.105) 5.102 6.908 ( -7.460 22.507 -4.903) 24.213 6.908 ( 7.460 22.507 -4.903) 24.213 7.109 ( -2.568 4.087 -0.631) 4.867 7.109 ( 2.568 4.087 -0.631) 4.867 7.403 ( -3.398 -2.085 -1.142) 4.147 7.403 ( 3.398 -2.085 -1.142) 4.147 7.524 ( -10.062 7.209 6.259) 13.870 7.524 ( 10.062 7.209 6.259) 13.870 7.660 ( -8.772 1.610 -2.981) 9.404 7.660 ( 8.772 1.610 -2.981) 9.404 8.143 ( -3.417 0.199 0.798) 3.514 8.143 ( 3.417 0.199 0.798) 3.514 8.302 ( -1.958 1.488 -1.999) 3.169 8.302 ( 1.958 1.488 -1.999) 3.169 8.911 ( -2.585 9.012 3.564) 10.030 8.911 ( 2.585 9.012 3.564) 10.030 9.011 ( -3.904 -1.892 0.961) 4.444 9.011 ( 3.904 -1.892 0.961) 4.444 9.281 ( -3.390 9.274 -3.754) 10.564 9.281 ( 3.390 9.274 -3.754) 10.564 9.353 ( -2.637 19.554 -0.019) 19.731 9.353 ( 2.637 19.554 -0.019) 19.731 10.185 ( -8.272 4.322 -0.393) 9.341 10.185 ( 8.272 4.322 -0.393) 9.341 10.332 ( -8.627 9.901 3.194) 13.515 10.332 ( 8.627 9.901 3.194) 13.515 10.977 ( -2.876 -4.432 -6.103) 8.072 10.977 ( 2.876 -4.432 -6.103) 8.072 11.097 ( -4.292 3.834 -0.239) 5.760 11.097 ( 4.292 3.834 -0.239) 5.760 11.355 ( -10.228 2.895 -9.987) 14.585 11.355 ( 10.228 2.895 -9.987) 14.585 11.554 ( -3.016 10.013 -1.521) 10.567 11.554 ( 3.016 10.013 -1.521) 10.567 11.695 ( -1.537 6.264 -3.440) 7.310 11.695 ( 1.537 6.264 -3.440) 7.310 12.695 ( -2.177 -1.385 10.365) 10.681 12.695 ( 2.177 -1.385 10.365) 10.681 12.965 ( -4.195 -5.464 3.126) 7.565 12.965 ( 4.195 -5.464 3.126) 7.565 13.564 ( -2.725 -0.472 -4.755) 5.500 13.564 ( 2.725 -0.472 -4.755) 5.500 13.706 ( -6.957 -1.399 2.201) 7.430 13.706 ( 6.957 -1.399 2.201) 7.430 14.253 ( -8.229 -2.399 -0.620) 8.594 14.253 ( 8.229 -2.399 -0.620) 8.594 14.763 ( -7.500 -0.894 8.706) 11.525 14.763 ( 7.500 -0.894 8.706) 11.525 15.246 ( -6.002 1.616 -15.487) 16.688 15.246 ( 6.002 1.616 -15.487) 16.688 15.872 ( -6.228 1.916 -4.838) 8.116 15.872 ( 6.228 1.916 -4.838) 8.116 16.689 ( -1.682 -6.064 -5.613) 8.432 16.689 ( 1.682 -6.064 -5.613) 8.432 17.168 ( -7.542 -2.821 9.748) 12.644 17.168 ( 7.542 -2.821 9.748) 12.644 17.720 ( -4.336 -6.076 -2.033) 7.736 17.720 ( 4.336 -6.076 -2.033) 7.736 18.074 ( -2.013 -4.448 8.567) 9.860 18.074 ( 2.013 -4.448 8.567) 9.860 ======================= Grid point 55 (22/60) ======================= q-point: ( 0.00 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 0.000 17.639 16.966) 24.474 1.275 ( 0.000 17.918 21.202) 27.759 1.973 ( 0.000 3.754 6.539) 7.540 2.227 ( 0.000 -0.020 1.384) 1.384 2.240 ( 0.000 1.357 2.387) 2.746 2.262 ( 0.000 12.440 1.949) 12.592 2.392 ( 0.000 42.137 8.998) 43.087 2.478 ( 0.000 6.768 0.613) 6.795 2.579 ( 0.000 -2.106 -0.031) 2.106 2.686 ( 0.000 -1.958 -0.591) 2.045 2.758 ( 0.000 9.837 -1.957) 10.030 2.806 ( 0.000 -6.432 -1.064) 6.520 2.879 ( 0.000 -0.848 0.487) 0.978 3.011 ( 0.000 -5.504 -5.632) 7.875 3.044 ( 0.000 4.102 -3.015) 5.090 3.079 ( 0.000 -0.750 -1.705) 1.862 3.115 ( 0.000 -1.820 -2.019) 2.718 3.224 ( 0.000 8.539 -1.073) 8.606 3.378 ( 0.000 -2.895 -4.157) 5.065 3.423 ( 0.000 1.601 -2.540) 3.002 3.458 ( 0.000 -10.994 1.057) 11.045 3.510 ( 0.000 -2.648 -1.968) 3.299 3.701 ( 0.000 -0.210 1.400) 1.416 3.763 ( 0.000 -5.215 1.550) 5.440 3.919 ( 0.000 -4.107 3.018) 5.097 3.959 ( 0.000 -3.749 2.123) 4.308 3.998 ( 0.000 -3.436 -2.631) 4.327 4.124 ( 0.000 5.889 7.787) 9.763 4.202 ( 0.000 2.136 6.505) 6.846 4.270 ( 0.000 9.358 -1.014) 9.413 4.330 ( 0.000 -5.816 3.160) 6.619 4.605 ( 0.000 11.813 -1.707) 11.935 4.621 ( 0.000 -6.319 2.239) 6.704 4.627 ( 0.000 -0.488 -2.700) 2.743 4.986 ( 0.000 18.213 1.046) 18.243 5.065 ( 0.000 6.927 -0.248) 6.931 5.086 ( 0.000 10.222 -3.447) 10.787 5.162 ( 0.000 6.219 -4.137) 7.469 5.242 ( 0.000 6.343 2.896) 6.973 5.262 ( 0.000 7.969 0.329) 7.975 5.446 ( 0.000 1.086 0.613) 1.247 5.523 ( 0.000 2.144 -0.686) 2.251 5.561 ( 0.000 -0.401 4.550) 4.567 5.802 ( 0.000 29.024 3.842) 29.277 5.952 ( 0.000 14.331 1.380) 14.397 6.043 ( 0.000 9.507 -1.128) 9.573 6.198 ( 0.000 8.949 -1.215) 9.031 6.444 ( 0.000 8.390 -1.888) 8.600 6.858 ( 0.000 6.462 -13.206) 14.702 7.128 ( 0.000 -1.359 -3.541) 3.793 7.248 ( 0.000 -1.618 -4.031) 4.344 7.301 ( 0.000 7.498 -0.667) 7.528 7.316 ( 0.000 37.700 -0.909) 37.711 7.407 ( 0.000 1.869 -5.147) 5.476 7.742 ( 0.000 -4.008 -0.450) 4.033 7.839 ( 0.000 17.513 -8.264) 19.365 7.930 ( 0.000 2.664 18.296) 18.489 7.971 ( 0.000 -0.063 -1.329) 1.331 8.216 ( 0.000 0.895 -0.112) 0.902 8.406 ( 0.000 12.704 -9.778) 16.031 8.443 ( 0.000 4.612 -3.241) 5.637 8.558 ( 0.000 1.572 2.918) 3.314 8.663 ( 0.000 14.560 5.598) 15.599 8.831 ( 0.000 5.319 7.783) 9.427 9.023 ( 0.000 6.753 10.910) 12.831 9.175 ( 0.000 3.047 -10.606) 11.035 9.241 ( 0.000 -0.226 -5.123) 5.128 9.725 ( 0.000 14.659 1.283) 14.715 9.746 ( 0.000 20.445 -2.426) 20.589 9.972 ( 0.000 10.165 -0.598) 10.183 10.085 ( 0.000 15.988 -5.544) 16.922 10.134 ( 0.000 7.107 21.040) 22.208 10.505 ( 0.000 -4.265 -4.162) 5.959 10.572 ( 0.000 -2.466 0.438) 2.505 10.817 ( 0.000 15.003 3.748) 15.464 10.822 ( 0.000 14.254 -0.425) 14.260 11.136 ( 0.000 10.093 9.083) 13.578 11.289 ( 0.000 21.481 -1.940) 21.569 11.324 ( 0.000 4.469 -10.660) 11.559 11.644 ( 0.000 6.622 -3.806) 7.638 11.726 ( 0.000 6.261 -2.730) 6.830 11.880 ( 0.000 9.607 -9.381) 13.427 11.910 ( 0.000 13.274 -3.724) 13.786 11.978 ( 0.000 12.909 -5.358) 13.977 12.619 ( 0.000 -1.828 5.696) 5.982 12.793 ( 0.000 3.263 10.957) 11.432 12.821 ( 0.000 6.939 -1.829) 7.176 12.962 ( 0.000 -8.644 3.248) 9.235 13.412 ( 0.000 -7.844 -5.095) 9.354 13.478 ( 0.000 -2.079 -2.040) 2.912 13.496 ( 0.000 -8.319 1.465) 8.447 13.920 ( 0.000 -7.631 0.341) 7.638 14.057 ( 0.000 7.473 4.249) 8.596 14.515 ( 0.000 4.061 2.226) 4.631 14.638 ( 0.000 2.773 -3.854) 4.748 14.967 ( 0.000 2.531 6.785) 7.242 15.134 ( 0.000 -4.287 -5.689) 7.124 15.461 ( 0.000 -0.227 -18.433) 18.434 15.511 ( 0.000 -9.192 -2.711) 9.584 16.237 ( 0.000 -15.098 -2.494) 15.303 16.419 ( 0.000 11.905 -22.488) 25.445 16.538 ( 0.000 -2.160 -2.291) 3.149 17.059 ( 0.000 -2.745 13.798) 14.069 17.209 ( 0.000 -14.113 -1.962) 14.249 17.358 ( 0.000 -10.696 -3.960) 11.405 17.685 ( 0.000 -6.793 11.107) 13.020 17.936 ( 0.000 -5.821 6.893) 9.022 18.010 ( 0.000 -8.672 6.857) 11.055 ======================= Grid point 56 (23/60) ======================= q-point: ( 0.25 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 12.975 17.888 8.849) 23.804 1.531 ( 18.525 13.577 17.481) 28.863 1.876 ( -10.206 6.578 6.046) 13.564 2.126 ( -8.847 14.888 2.980) 17.573 2.224 ( 0.284 0.906 0.639) 1.144 2.260 ( -0.581 2.804 1.979) 3.481 2.480 ( 5.530 23.410 7.822) 25.294 2.513 ( 3.640 5.380 -0.319) 6.504 2.584 ( 2.001 1.412 -0.964) 2.632 2.733 ( 1.244 0.636 -1.869) 2.333 2.736 ( -2.280 -3.371 -3.698) 5.499 2.807 ( 1.108 3.352 -1.364) 3.785 2.846 ( 2.675 1.914 2.169) 3.940 3.004 ( -3.133 3.834 -1.126) 5.078 3.026 ( -2.010 4.392 -2.378) 5.384 3.084 ( -2.326 -1.432 -0.442) 2.767 3.102 ( 0.845 0.664 -0.658) 1.260 3.185 ( -0.810 -0.925 0.246) 1.254 3.360 ( -8.864 -2.635 0.007) 9.247 3.422 ( -0.303 -6.263 -0.362) 6.281 3.473 ( 1.420 1.357 -2.296) 3.022 3.546 ( 4.249 -0.688 -0.554) 4.340 3.690 ( -5.420 0.605 0.529) 5.479 3.716 ( -8.774 3.302 9.928) 13.654 3.787 ( -0.851 -1.272 3.936) 4.223 3.921 ( 2.206 -6.772 -2.628) 7.591 3.967 ( -2.135 -0.475 -0.700) 2.296 4.020 ( 2.313 -4.603 -0.564) 5.182 4.145 ( -5.958 1.427 1.083) 6.221 4.354 ( -2.840 -2.998 0.251) 4.137 4.396 ( -3.877 -0.928 1.107) 4.137 4.531 ( 1.369 10.531 -2.279) 10.861 4.638 ( 11.279 3.166 3.818) 12.321 4.907 ( 13.080 -0.758 -0.868) 13.130 5.010 ( 0.852 17.628 0.327) 17.651 5.068 ( 0.473 7.682 -1.036) 7.766 5.096 ( 0.450 9.802 -2.885) 10.228 5.115 ( -3.334 3.549 -3.168) 5.809 5.237 ( -1.120 8.388 2.288) 8.766 5.258 ( -0.553 5.329 0.803) 5.418 5.412 ( -1.035 0.340 1.352) 1.736 5.479 ( -2.391 2.353 1.312) 3.602 5.686 ( 7.579 2.476 1.957) 8.210 5.821 ( 2.250 25.746 3.440) 26.072 5.913 ( -3.559 14.399 1.916) 14.955 6.006 ( -3.529 9.303 -0.602) 9.968 6.226 ( 2.725 9.316 -1.818) 9.875 6.399 ( -3.985 9.686 -3.006) 10.897 6.938 ( 6.451 3.625 -11.036) 13.287 7.097 ( -2.204 0.484 -4.476) 5.013 7.278 ( 2.545 -2.222 -4.278) 5.451 7.334 ( 3.744 7.423 0.976) 8.371 7.396 ( -0.820 2.396 -5.433) 5.994 7.404 ( 6.307 25.023 -2.317) 25.909 7.722 ( -6.627 10.057 8.877) 14.962 7.739 ( -0.084 7.095 -0.602) 7.121 7.878 ( -2.980 9.358 -2.668) 10.177 7.988 ( -2.945 2.635 -0.548) 3.989 8.141 ( -8.660 6.615 -6.978) 12.940 8.267 ( -0.543 4.827 0.834) 4.928 8.427 ( -8.774 10.525 2.464) 13.922 8.502 ( -8.748 9.725 4.236) 13.750 8.795 ( 14.949 3.131 6.410) 16.564 8.910 ( 7.778 1.530 3.917) 8.842 9.017 ( 2.207 6.259 3.169) 7.354 9.128 ( -5.993 2.424 -2.474) 6.922 9.294 ( 6.833 4.992 -3.814) 9.282 9.668 ( -7.332 16.779 0.415) 18.316 9.785 ( 2.704 22.287 -1.430) 22.496 9.981 ( -6.988 27.343 -0.126) 28.222 10.105 ( 12.766 7.445 -0.951) 14.809 10.391 ( 6.469 -0.893 4.469) 7.913 10.453 ( -2.455 11.969 3.477) 12.703 10.636 ( 11.683 -1.377 -2.707) 12.071 10.788 ( 2.729 8.102 2.457) 8.895 10.922 ( 2.013 4.492 -2.307) 5.437 11.076 ( -4.308 10.353 1.132) 11.270 11.323 ( 1.220 14.606 0.842) 14.681 11.335 ( 2.291 9.098 -9.569) 13.401 11.629 ( -3.328 7.250 -5.353) 9.606 11.689 ( -3.473 7.383 -2.221) 8.456 11.753 ( -5.447 4.364 -7.411) 10.180 11.922 ( -0.546 16.119 -1.103) 16.166 11.968 ( -0.988 13.104 -2.907) 13.459 12.629 ( 0.893 -0.803 3.653) 3.846 12.750 ( -4.167 1.672 5.769) 7.310 12.841 ( 1.848 2.230 2.150) 3.607 12.930 ( -2.513 -7.063 4.560) 8.775 13.422 ( 1.233 -8.927 -3.195) 9.561 13.484 ( -0.900 -8.930 0.757) 9.007 13.553 ( 6.221 -0.473 -1.220) 6.357 13.864 ( -5.746 -3.536 1.316) 6.873 14.095 ( 4.179 3.709 0.327) 5.597 14.413 ( -8.252 1.509 -1.321) 8.492 14.676 ( 3.139 3.769 2.417) 5.468 14.886 ( -6.006 0.561 7.336) 9.498 15.165 ( 2.714 -2.284 -7.585) 8.373 15.353 ( -5.608 -3.503 -12.498) 14.139 15.687 ( 10.986 -1.986 -6.968) 13.160 16.120 ( -8.976 -1.728 -7.344) 11.725 16.464 ( 3.096 -3.228 -11.117) 11.983 16.555 ( 0.257 -6.041 -6.440) 8.834 17.030 ( 0.556 -2.936 11.829) 12.200 17.243 ( -3.342 -6.003 -0.108) 6.871 17.397 ( 6.890 -12.790 0.173) 14.529 17.656 ( -2.590 -6.738 4.705) 8.617 17.931 ( -0.066 -7.071 9.252) 11.644 17.993 ( -1.597 -8.235 7.337) 11.145 ======================= Grid point 57 (24/60) ======================= q-point: (-0.50 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( -18.162 12.485 4.790) 22.554 1.561 ( 18.162 12.485 4.790) 22.554 1.890 ( -14.379 15.876 7.425) 22.670 1.890 ( 14.379 15.876 7.425) 22.670 2.243 ( -1.123 0.134 1.186) 1.638 2.243 ( 1.123 0.134 1.186) 1.638 2.534 ( -2.427 -2.960 -4.147) 5.644 2.534 ( 2.427 -2.960 -4.147) 5.644 2.674 ( -3.836 1.384 -1.329) 4.289 2.674 ( 3.836 1.384 -1.329) 4.289 2.861 ( -5.589 1.957 2.613) 6.473 2.861 ( 5.589 1.957 2.613) 6.473 2.908 ( -3.109 11.918 2.441) 12.556 2.908 ( 3.109 11.918 2.441) 12.556 3.017 ( -6.521 10.018 4.519) 12.779 3.017 ( 6.521 10.018 4.519) 12.779 3.076 ( -5.156 1.265 3.733) 6.490 3.076 ( 5.156 1.265 3.733) 6.490 3.300 ( -7.801 -6.407 -2.085) 10.308 3.300 ( 7.801 -6.407 -2.085) 10.308 3.562 ( -4.099 -1.294 -0.368) 4.314 3.562 ( 4.099 -1.294 -0.368) 4.314 3.648 ( -4.752 -0.852 1.066) 4.944 3.648 ( 4.752 -0.852 1.066) 4.944 3.865 ( -6.955 1.405 -0.650) 7.126 3.865 ( 6.955 1.405 -0.650) 7.126 3.988 ( -3.685 -3.219 -0.742) 4.949 3.988 ( 3.685 -3.219 -0.742) 4.949 4.182 ( -8.164 -7.578 0.311) 11.143 4.182 ( 8.164 -7.578 0.311) 11.143 4.461 ( -4.610 8.219 0.676) 9.448 4.461 ( 4.610 8.219 0.676) 9.448 4.897 ( -10.693 5.705 -0.623) 12.135 4.897 ( 10.693 5.705 -0.623) 12.135 5.073 ( -1.788 7.916 -1.672) 8.286 5.073 ( 1.788 7.916 -1.672) 8.286 5.105 ( -2.248 7.113 -1.930) 7.705 5.105 ( 2.248 7.113 -1.930) 7.705 5.225 ( -1.432 5.372 1.946) 5.890 5.225 ( 1.432 5.372 1.946) 5.890 5.428 ( -2.164 1.452 1.675) 3.098 5.428 ( 2.164 1.452 1.675) 3.098 5.819 ( -5.302 12.880 2.564) 14.162 5.819 ( 5.302 12.880 2.564) 14.162 5.908 ( -5.474 12.520 0.957) 13.698 5.908 ( 5.474 12.520 0.957) 13.698 6.304 ( -4.653 10.088 -3.066) 11.525 6.304 ( 4.653 10.088 -3.066) 11.525 7.045 ( -3.324 0.901 -6.846) 7.663 7.045 ( 3.324 0.901 -6.846) 7.663 7.338 ( -2.901 -2.576 -3.665) 5.337 7.338 ( 2.901 -2.576 -3.665) 5.337 7.461 ( -2.983 8.801 -0.374) 9.300 7.461 ( 2.983 8.801 -0.374) 9.300 7.719 ( -6.844 12.771 -2.334) 14.677 7.719 ( 6.844 12.771 -2.334) 14.677 7.812 ( -1.948 15.375 -0.249) 15.500 7.812 ( 1.948 15.375 -0.249) 15.500 8.181 ( -6.633 8.765 6.249) 12.644 8.181 ( 6.633 8.765 6.249) 12.644 8.362 ( -3.391 4.232 -1.046) 5.523 8.362 ( 3.391 4.232 -1.046) 5.523 8.965 ( -5.284 -1.810 -0.047) 5.585 8.965 ( 5.284 -1.810 -0.047) 5.585 9.105 ( -2.848 9.155 2.092) 9.813 9.105 ( 2.848 9.155 2.092) 9.813 9.456 ( -11.158 8.258 2.122) 14.043 9.456 ( 11.158 8.258 2.122) 14.043 9.846 ( -4.386 25.930 -0.248) 26.299 9.846 ( 4.386 25.930 -0.248) 26.299 10.328 ( -4.880 10.990 -0.691) 12.045 10.328 ( 4.880 10.990 -0.691) 12.045 10.602 ( -12.350 16.611 1.717) 20.770 10.602 ( 12.350 16.611 1.717) 20.770 10.894 ( -2.926 -3.925 -3.612) 6.084 10.894 ( 2.926 -3.925 -3.612) 6.084 11.205 ( -12.518 6.471 -3.162) 14.442 11.205 ( 12.518 6.471 -3.162) 14.442 11.456 ( -9.147 7.840 -7.257) 14.064 11.456 ( 9.147 7.840 -7.257) 14.064 11.693 ( -2.115 6.250 -1.451) 6.756 11.693 ( 2.115 6.250 -1.451) 6.756 11.935 ( -1.783 15.181 -0.276) 15.287 11.935 ( 1.783 15.181 -0.276) 15.287 12.665 ( -3.122 -0.842 2.434) 4.047 12.665 ( 3.122 -0.842 2.434) 4.047 12.881 ( -2.100 -3.042 4.974) 6.197 12.881 ( 2.100 -3.042 4.974) 6.197 13.456 ( -1.766 -9.624 -0.929) 9.829 13.456 ( 1.766 -9.624 -0.929) 9.829 13.709 ( -8.362 0.054 0.446) 8.374 13.709 ( 8.362 0.054 0.446) 8.374 14.230 ( -8.528 0.446 -2.147) 8.806 14.230 ( 8.528 0.446 -2.147) 8.806 14.765 ( -5.393 2.031 6.797) 8.911 14.765 ( 5.393 2.031 6.797) 8.911 15.244 ( -4.829 -2.265 -10.303) 11.602 15.244 ( 4.829 -2.265 -10.303) 11.602 15.914 ( -10.770 1.544 -7.127) 13.006 15.914 ( 10.770 1.544 -7.127) 13.006 16.526 ( -2.670 -9.368 -7.346) 12.200 16.526 ( 2.670 -9.368 -7.346) 12.200 17.114 ( -6.748 -2.285 7.617) 10.430 17.114 ( 6.748 -2.285 7.617) 10.430 17.561 ( -7.026 -9.608 -0.550) 11.916 17.561 ( 7.026 -9.608 -0.550) 11.916 17.952 ( -2.002 -7.780 9.368) 12.341 17.952 ( 2.002 -7.780 9.368) 12.341 ======================= Grid point 60 (25/60) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 0.000 19.235 9.846) 21.609 1.639 ( 0.000 18.430 13.454) 22.818 2.025 ( 0.000 1.750 5.611) 5.877 2.220 ( 0.000 -0.560 2.122) 2.194 2.240 ( 0.000 -0.496 2.741) 2.785 2.402 ( 0.000 2.544 -1.915) 3.184 2.485 ( 0.000 -2.850 1.432) 3.190 2.617 ( 0.000 -1.517 1.831) 2.378 2.626 ( 0.000 4.323 1.313) 4.518 2.671 ( 0.000 -5.756 0.973) 5.838 2.776 ( 0.000 -13.033 1.946) 13.177 2.865 ( 0.000 3.007 -1.401) 3.317 2.872 ( 0.000 -4.262 2.355) 4.869 2.894 ( 0.000 2.889 -2.259) 3.667 3.081 ( 0.000 -7.946 1.106) 8.023 3.254 ( 0.000 11.443 -7.778) 13.836 3.276 ( 0.000 6.861 -0.302) 6.867 3.328 ( 0.000 0.332 -1.153) 1.200 3.363 ( 0.000 4.861 -4.776) 6.815 3.374 ( 0.000 12.346 1.012) 12.387 3.447 ( 0.000 3.236 -2.549) 4.119 3.539 ( 0.000 8.852 2.534) 9.207 3.649 ( 0.000 -4.589 -1.771) 4.919 3.664 ( 0.000 -3.041 -2.298) 3.812 3.813 ( 0.000 -5.101 4.512) 6.810 3.859 ( 0.000 -5.002 2.866) 5.765 3.967 ( 0.000 1.644 -1.047) 1.949 4.204 ( 0.000 -1.091 4.673) 4.799 4.250 ( 0.000 6.515 5.860) 8.762 4.345 ( 0.000 6.121 3.133) 6.877 4.405 ( 0.000 4.517 -3.522) 5.728 4.482 ( 0.000 -7.134 3.335) 7.875 4.600 ( 0.000 -2.234 -1.968) 2.977 4.812 ( 0.000 6.579 -1.537) 6.756 5.117 ( 0.000 2.524 -2.823) 3.787 5.172 ( 0.000 1.792 -5.555) 5.837 5.249 ( 0.000 7.701 2.188) 8.006 5.286 ( 0.000 0.445 2.065) 2.112 5.310 ( 0.000 6.412 -1.276) 6.538 5.394 ( 0.000 3.663 -0.635) 3.717 5.480 ( 0.000 2.836 3.096) 4.198 5.516 ( 0.000 -3.357 2.920) 4.449 5.601 ( 0.000 2.575 1.821) 3.153 5.897 ( 0.000 -14.109 0.801) 14.132 6.308 ( 0.000 21.142 0.046) 21.143 6.405 ( 0.000 27.004 3.214) 27.194 6.602 ( 0.000 11.731 0.765) 11.756 6.637 ( 0.000 17.975 0.288) 17.977 7.045 ( 0.000 11.361 -17.874) 21.179 7.120 ( 0.000 1.669 -4.615) 4.907 7.205 ( 0.000 -1.817 -3.323) 3.788 7.327 ( 0.000 -3.284 -5.842) 6.702 7.434 ( 0.000 5.313 -0.787) 5.371 7.667 ( 0.000 -3.944 -0.169) 3.947 7.737 ( 0.000 -0.567 -8.095) 8.115 7.915 ( 0.000 -5.557 -1.843) 5.855 8.007 ( 0.000 5.263 18.889) 19.608 8.123 ( 0.000 9.161 2.932) 9.619 8.369 ( 0.000 10.145 -1.423) 10.244 8.509 ( 0.000 1.919 -4.902) 5.264 8.611 ( 0.000 5.749 -1.328) 5.900 8.800 ( 0.000 22.816 -3.966) 23.158 8.887 ( 0.000 6.887 10.019) 12.157 8.937 ( 0.000 5.769 8.042) 9.898 9.075 ( 0.000 -7.975 -3.419) 8.677 9.218 ( 0.000 16.056 9.362) 18.586 9.337 ( 0.000 4.822 -7.938) 9.288 9.866 ( 0.000 1.488 -4.911) 5.132 10.004 ( 0.000 15.806 3.293) 16.146 10.135 ( 0.000 3.127 0.469) 3.162 10.341 ( 0.000 3.727 6.288) 7.310 10.421 ( 0.000 2.450 6.150) 6.620 10.557 ( 0.000 1.998 -0.638) 2.097 10.619 ( 0.000 23.401 -3.343) 23.638 11.084 ( 0.000 12.146 0.604) 12.161 11.194 ( 0.000 21.781 0.966) 21.803 11.412 ( 0.000 18.752 10.420) 21.452 11.453 ( 0.000 7.585 -12.966) 15.022 11.743 ( 0.000 21.615 -2.654) 21.777 11.809 ( 0.000 9.885 -5.770) 11.446 11.906 ( 0.000 11.293 -7.482) 13.546 12.056 ( 0.000 4.778 -2.667) 5.472 12.135 ( 0.000 16.875 -2.699) 17.089 12.333 ( 0.000 20.135 -0.702) 20.147 12.586 ( 0.000 -1.646 3.171) 3.573 12.711 ( 0.000 -15.825 5.350) 16.704 12.793 ( 0.000 -4.249 6.681) 7.917 12.961 ( 0.000 6.720 -3.533) 7.592 13.194 ( 0.000 -12.934 -3.207) 13.326 13.284 ( 0.000 -12.786 2.168) 12.968 13.457 ( 0.000 -1.451 -1.399) 2.016 13.724 ( 0.000 -12.182 -1.262) 12.248 14.272 ( 0.000 13.831 -1.455) 13.908 14.628 ( 0.000 7.637 6.162) 9.813 14.689 ( 0.000 2.355 -8.218) 8.549 14.986 ( 0.000 -10.205 -4.930) 11.333 15.076 ( 0.000 8.132 2.093) 8.397 15.326 ( 0.000 -7.757 -0.207) 7.760 15.504 ( 0.000 4.247 -10.403) 11.237 15.881 ( 0.000 -20.564 0.301) 20.567 16.445 ( 0.000 -7.778 -9.304) 12.127 16.596 ( 0.000 3.957 -21.126) 21.494 16.909 ( 0.000 -12.969 -3.424) 13.414 17.062 ( 0.000 3.758 16.817) 17.232 17.162 ( 0.000 -8.118 -6.660) 10.500 17.588 ( 0.000 -3.407 12.421) 12.880 17.802 ( 0.000 -7.452 8.418) 11.243 17.803 ( 0.000 -12.138 7.867) 14.465 ======================= Grid point 61 (26/60) ======================= q-point: ( 0.25 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 10.263 18.881 4.854) 22.031 1.794 ( 13.297 13.232 13.414) 23.061 1.994 ( -3.979 5.072 6.152) 8.911 2.202 ( -1.415 -0.337 0.544) 1.553 2.234 ( -0.548 -0.438 3.245) 3.320 2.389 ( -2.756 5.077 0.355) 5.788 2.458 ( -2.870 -0.971 -1.036) 3.202 2.554 ( -3.058 -1.177 0.193) 3.282 2.654 ( 0.214 0.242 -1.880) 1.908 2.685 ( -3.665 -2.323 0.103) 4.341 2.741 ( 1.724 -4.030 1.903) 4.778 2.804 ( 2.301 -8.354 0.665) 8.690 2.863 ( -1.078 -5.320 2.561) 6.002 2.986 ( 3.440 -1.978 -0.468) 3.995 3.039 ( -3.149 -7.533 4.329) 9.241 3.182 ( -3.013 8.083 -3.159) 9.186 3.228 ( -6.684 1.231 -1.559) 6.973 3.286 ( -3.904 2.724 -0.118) 4.761 3.381 ( 3.984 10.945 -3.204) 12.080 3.432 ( 3.302 11.802 -0.180) 12.257 3.505 ( 3.830 2.757 -1.432) 4.932 3.570 ( 1.496 6.582 1.319) 6.877 3.678 ( 2.339 -1.132 -2.706) 3.752 3.726 ( -0.143 -1.075 3.502) 3.666 3.768 ( 5.412 -7.599 -3.594) 9.998 3.895 ( -9.657 1.821 3.433) 10.409 3.925 ( 2.174 0.244 1.726) 2.787 4.002 ( -4.948 10.912 6.257) 13.517 4.123 ( -7.734 -1.536 -0.464) 7.899 4.241 ( -11.767 -5.416 -0.127) 12.954 4.472 ( 5.885 4.558 -0.509) 7.461 4.654 ( 14.869 2.331 2.006) 15.184 4.756 ( -4.637 6.161 -0.597) 7.734 4.868 ( 14.942 -3.219 -1.232) 15.334 5.131 ( 0.110 2.128 -3.650) 4.226 5.173 ( -3.486 2.831 -3.967) 5.992 5.205 ( -1.966 3.094 0.792) 3.750 5.279 ( -0.024 3.344 0.212) 3.351 5.287 ( -1.312 4.367 0.606) 4.600 5.365 ( -2.479 3.046 0.336) 3.942 5.463 ( -0.714 3.197 3.474) 4.775 5.500 ( -1.057 0.077 3.003) 3.185 5.686 ( 6.058 -2.364 1.249) 6.621 5.879 ( -2.012 -12.408 0.449) 12.578 6.312 ( 0.537 21.726 1.452) 21.781 6.379 ( -2.120 25.770 3.330) 26.071 6.604 ( 0.043 15.721 -0.187) 15.722 6.632 ( -0.535 15.436 0.581) 15.456 7.055 ( 1.166 8.041 -14.536) 16.653 7.117 ( -0.505 3.010 -5.965) 6.700 7.223 ( 1.927 -2.402 -3.221) 4.456 7.319 ( -1.003 -2.735 -3.062) 4.226 7.459 ( 1.906 3.050 -0.835) 3.693 7.573 ( -5.328 -1.305 0.113) 5.487 7.798 ( 2.519 -4.933 -4.110) 6.897 7.880 ( -3.463 -0.095 5.201) 6.249 7.919 ( -1.303 4.075 3.517) 5.538 8.206 ( 7.243 6.294 0.726) 9.623 8.305 ( -15.113 8.727 -8.046) 19.217 8.439 ( 2.477 9.058 -1.812) 9.564 8.672 ( -2.899 11.424 -1.702) 11.909 8.754 ( -4.240 11.581 5.166) 13.371 8.872 ( -0.746 2.790 3.283) 4.373 8.989 ( 8.090 7.539 6.155) 12.656 9.071 ( 5.190 6.177 -2.381) 8.412 9.282 ( 2.937 13.970 3.702) 14.748 9.402 ( 6.570 5.446 1.623) 8.687 9.917 ( -5.498 8.414 1.345) 10.141 10.072 ( 4.049 4.473 0.402) 6.047 10.191 ( -2.196 8.872 7.732) 11.971 10.387 ( 12.573 5.322 -4.571) 14.398 10.478 ( 14.814 -5.038 3.249) 15.981 10.653 ( 5.560 12.832 -6.160) 15.281 10.722 ( 8.329 16.786 2.807) 18.948 11.013 ( -7.883 11.608 0.209) 14.033 11.132 ( -1.669 18.084 0.728) 18.175 11.308 ( -10.516 12.400 -3.368) 16.604 11.536 ( 6.101 14.056 -2.438) 15.516 11.682 ( -11.452 15.770 -8.823) 21.394 11.793 ( -1.321 9.604 -0.986) 9.744 11.861 ( -3.638 7.944 -2.535) 9.097 11.931 ( -2.822 16.622 -3.434) 17.206 12.194 ( 0.810 11.170 2.397) 11.453 12.248 ( -4.882 14.035 4.277) 15.464 12.629 ( 1.997 0.310 -1.473) 2.501 12.682 ( -1.882 -10.535 1.122) 10.761 12.800 ( 1.208 -3.384 4.854) 6.039 12.929 ( -3.022 6.953 -1.798) 7.792 13.188 ( 0.232 -14.260 -2.580) 14.493 13.257 ( -2.116 -13.835 1.565) 14.083 13.533 ( 5.733 -3.069 -0.076) 6.503 13.705 ( -1.888 -11.838 -1.161) 12.043 14.266 ( -0.009 12.752 -2.295) 12.957 14.466 ( -9.778 4.760 -2.414) 11.140 14.777 ( 4.166 6.290 1.095) 7.624 14.927 ( -3.801 0.257 1.765) 4.199 15.110 ( 2.373 0.191 -3.717) 4.414 15.247 ( -4.377 -6.112 -5.525) 9.329 15.680 ( 11.324 0.123 -5.552) 12.612 15.886 ( 0.114 -18.515 -0.253) 18.517 16.405 ( -2.167 -7.499 -9.194) 12.061 16.533 ( -5.533 6.953 -16.980) 19.164 16.957 ( 4.181 -8.212 -2.572) 9.567 17.126 ( -0.665 -5.872 -4.350) 7.338 17.186 ( 7.630 -3.703 10.566) 13.549 17.543 ( -4.777 -4.034 9.200) 11.123 17.766 ( -1.134 -10.106 11.026) 15.000 17.806 ( -1.054 -9.949 8.365) 13.041 ======================= Grid point 62 (27/60) ======================= q-point: (-0.50 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -11.550 13.584 4.736) 18.449 1.825 ( 11.550 13.584 4.736) 18.449 2.093 ( -12.348 5.905 4.239) 14.329 2.093 ( 12.348 5.905 4.239) 14.329 2.255 ( -4.125 1.597 3.547) 5.670 2.255 ( 4.125 1.597 3.547) 5.670 2.478 ( -3.946 -1.818 -3.217) 5.406 2.478 ( 3.946 -1.818 -3.217) 5.406 2.654 ( -1.322 -0.968 -1.895) 2.505 2.654 ( 1.322 -0.968 -1.895) 2.505 2.798 ( -3.314 -5.881 3.723) 7.709 2.798 ( 3.314 -5.881 3.723) 7.709 2.931 ( -6.603 -6.753 5.835) 11.102 2.931 ( 6.603 -6.753 5.835) 11.102 3.075 ( -5.057 -6.053 -2.716) 8.342 3.075 ( 5.057 -6.053 -2.716) 8.342 3.202 ( -2.838 8.455 0.374) 8.926 3.202 ( 2.838 8.455 0.374) 8.926 3.468 ( -2.637 8.650 -3.799) 9.809 3.468 ( 2.637 8.650 -3.799) 9.809 3.558 ( -3.308 3.504 2.747) 5.547 3.558 ( 3.308 3.504 2.747) 5.547 3.677 ( -3.267 7.353 3.552) 8.795 3.677 ( 3.267 7.353 3.552) 8.795 3.879 ( -3.482 -2.161 -3.362) 5.301 3.879 ( 3.482 -2.161 -3.362) 5.301 3.942 ( -2.692 4.203 0.479) 5.014 3.942 ( 2.692 4.203 0.479) 5.014 4.041 ( -6.072 -4.777 1.723) 7.916 4.041 ( 6.072 -4.777 1.723) 7.916 4.616 ( -7.456 6.192 -0.098) 9.692 4.616 ( 7.456 6.192 -0.098) 9.692 4.952 ( -12.997 1.046 -0.310) 13.043 4.952 ( 12.997 1.046 -0.310) 13.043 5.119 ( -7.054 -0.881 -3.534) 7.939 5.119 ( 7.054 -0.881 -3.534) 7.939 5.213 ( -2.352 2.735 -0.154) 3.611 5.213 ( 2.352 2.735 -0.154) 3.611 5.316 ( -2.310 3.692 0.727) 4.415 5.316 ( 2.310 3.692 0.727) 4.415 5.472 ( -1.345 2.296 3.487) 4.386 5.472 ( 1.345 2.296 3.487) 4.386 5.806 ( -5.062 -7.919 0.447) 9.409 5.806 ( 5.062 -7.919 0.447) 9.409 6.336 ( -1.811 23.476 3.184) 23.760 6.336 ( 1.811 23.476 3.184) 23.760 6.613 ( -0.978 16.398 -0.407) 16.432 6.613 ( 0.978 16.398 -0.407) 16.432 7.091 ( -1.924 4.407 -8.879) 10.098 7.091 ( 1.924 4.407 -8.879) 10.098 7.278 ( -2.869 -2.527 -2.481) 4.557 7.278 ( 2.869 -2.527 -2.481) 4.557 7.495 ( -2.228 -1.027 2.607) 3.580 7.495 ( 2.228 -1.027 2.607) 3.580 7.839 ( -2.588 -4.120 -1.295) 5.035 7.839 ( 2.588 -4.120 -1.295) 5.035 8.008 ( -10.916 10.783 -4.153) 15.895 8.008 ( 10.916 10.783 -4.153) 15.895 8.378 ( -8.157 1.309 -0.563) 8.281 8.378 ( 8.157 1.309 -0.563) 8.281 8.656 ( -3.945 22.202 1.497) 22.599 8.656 ( 3.945 22.202 1.497) 22.599 8.936 ( -4.882 -1.027 -2.200) 5.453 8.936 ( 4.882 -1.027 -2.200) 5.453 9.306 ( -3.719 13.041 2.877) 13.863 9.306 ( 3.719 13.041 2.877) 13.863 9.619 ( -17.038 8.499 8.240) 20.747 9.619 ( 17.038 8.499 8.240) 20.747 10.134 ( -2.497 4.438 3.382) 6.113 10.134 ( 2.497 4.438 3.382) 6.113 10.706 ( -6.537 16.371 -8.547) 19.590 10.706 ( 6.537 16.371 -8.547) 19.590 10.781 ( -9.809 0.502 1.179) 9.892 10.781 ( 9.809 0.502 1.179) 9.892 10.952 ( -14.620 15.693 -0.173) 21.449 10.952 ( 14.620 15.693 -0.173) 21.449 11.328 ( -17.304 6.712 -5.859) 19.463 11.328 ( 17.304 6.712 -5.859) 19.463 11.684 ( -7.705 13.820 0.674) 15.837 11.684 ( 7.705 13.820 0.674) 15.837 11.881 ( -2.888 14.109 -2.378) 14.596 11.881 ( 2.888 14.109 -2.378) 14.596 12.193 ( -0.603 9.439 5.697) 11.042 12.193 ( 0.603 9.439 5.697) 11.042 12.655 ( -1.098 -2.892 -3.575) 4.728 12.655 ( 1.098 -2.892 -3.575) 4.728 12.853 ( -3.731 3.027 1.923) 5.175 12.853 ( 3.731 3.027 1.923) 5.175 13.213 ( -1.941 -14.877 -0.522) 15.012 13.213 ( 1.941 -14.877 -0.522) 15.012 13.642 ( -4.332 -8.138 0.019) 9.220 13.642 ( 4.332 -8.138 0.019) 9.220 14.307 ( -4.801 8.713 -3.400) 10.513 14.307 ( 4.801 8.713 -3.400) 10.513 14.854 ( -3.485 5.633 3.448) 7.468 14.854 ( 3.485 5.633 3.448) 7.468 15.168 ( -3.321 -4.008 -6.152) 8.059 15.168 ( 3.321 -4.008 -6.152) 8.059 15.853 ( -4.502 -10.063 -2.459) 11.295 15.853 ( 4.502 -10.063 -2.459) 11.295 16.419 ( -4.022 1.409 -11.832) 12.576 16.419 ( 4.022 1.409 -11.832) 12.576 17.056 ( -4.809 -5.551 -3.442) 8.111 17.056 ( 4.809 -5.551 -3.442) 8.111 17.388 ( -9.760 -5.570 8.024) 13.808 17.388 ( 9.760 -5.570 8.024) 13.808 17.774 ( -1.571 -10.046 10.677) 14.744 17.774 ( 1.571 -10.046 10.677) 14.744 ======================= Grid point 65 (28/60) ======================= q-point: ( 0.00 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 0.000 15.721 4.175) 16.266 1.961 ( 0.000 10.489 6.078) 12.123 2.037 ( 0.000 1.164 4.857) 4.994 2.182 ( 0.000 -4.897 3.709) 6.143 2.242 ( 0.000 1.971 4.904) 5.286 2.353 ( 0.000 -7.239 1.684) 7.432 2.463 ( 0.000 1.022 1.650) 1.941 2.529 ( 0.000 -6.799 1.290) 6.920 2.585 ( 0.000 -2.906 7.000) 7.579 2.621 ( 0.000 -4.941 5.850) 7.658 2.663 ( 0.000 4.323 -0.355) 4.338 2.763 ( 0.000 -5.145 -0.704) 5.193 2.919 ( 0.000 0.683 -1.811) 1.936 2.925 ( 0.000 0.653 0.169) 0.674 2.984 ( 0.000 3.689 -0.086) 3.690 3.142 ( 0.000 -9.821 0.221) 9.823 3.412 ( 0.000 2.962 -7.266) 7.846 3.419 ( 0.000 2.489 -7.688) 8.081 3.451 ( 0.000 3.526 -2.963) 4.606 3.510 ( 0.000 4.273 -3.058) 5.255 3.524 ( 0.000 -3.580 -3.470) 4.986 3.525 ( 0.000 4.526 -0.998) 4.635 3.643 ( 0.000 1.815 -1.639) 2.445 3.689 ( 0.000 -2.340 -0.542) 2.402 3.725 ( 0.000 -3.223 3.013) 4.412 3.765 ( 0.000 -5.244 4.091) 6.651 4.213 ( 0.000 4.237 3.020) 5.203 4.301 ( 0.000 -4.379 4.628) 6.371 4.301 ( 0.000 20.874 1.954) 20.965 4.416 ( 0.000 3.661 0.417) 3.684 4.463 ( 0.000 1.020 0.110) 1.026 4.481 ( 0.000 8.334 2.618) 8.735 4.538 ( 0.000 -3.250 1.312) 3.505 4.784 ( 0.000 -10.994 2.193) 11.210 5.155 ( 0.000 1.481 -3.370) 3.681 5.179 ( 0.000 -0.886 -4.055) 4.151 5.324 ( 0.000 3.926 -0.784) 4.004 5.375 ( 0.000 3.661 0.392) 3.682 5.406 ( 0.000 3.101 -0.980) 3.252 5.429 ( 0.000 -0.216 -0.872) 0.898 5.454 ( 0.000 0.239 2.015) 2.029 5.533 ( 0.000 2.445 3.069) 3.924 5.587 ( 0.000 -3.776 2.202) 4.371 5.612 ( 0.000 -12.021 2.065) 12.197 6.645 ( 0.000 11.305 -3.169) 11.741 6.726 ( 0.000 2.449 -2.139) 3.252 6.802 ( 0.000 11.107 2.859) 11.469 6.864 ( 0.000 2.882 0.731) 2.973 7.193 ( 0.000 3.470 -8.665) 9.334 7.200 ( 0.000 1.460 -3.785) 4.057 7.276 ( 0.000 8.857 -8.957) 12.596 7.294 ( 0.000 0.863 -5.643) 5.709 7.507 ( 0.000 2.871 4.785) 5.580 7.616 ( 0.000 1.660 -3.951) 4.286 7.636 ( 0.000 -7.670 -3.210) 8.315 7.751 ( 0.000 -9.579 -1.859) 9.758 8.117 ( 0.000 5.069 13.164) 14.107 8.181 ( 0.000 -1.094 5.829) 5.931 8.490 ( 0.000 2.967 -2.578) 3.930 8.521 ( 0.000 -0.531 -4.697) 4.727 8.738 ( 0.000 7.006 0.054) 7.006 8.884 ( 0.000 -7.242 1.472) 7.390 8.972 ( 0.000 1.374 7.726) 7.848 8.980 ( 0.000 -0.042 7.521) 7.521 9.173 ( 0.000 11.815 -1.217) 11.878 9.339 ( 0.000 -4.790 -5.365) 7.193 9.664 ( 0.000 23.749 1.011) 23.771 9.980 ( 0.000 9.368 -0.205) 9.370 10.027 ( 0.000 -12.545 -0.281) 12.548 10.170 ( 0.000 -7.776 2.544) 8.182 10.382 ( 0.000 14.320 -4.283) 14.946 10.573 ( 0.000 -2.907 -5.521) 6.240 10.608 ( 0.000 9.069 11.424) 14.586 10.756 ( 0.000 -5.016 7.994) 9.437 11.422 ( 0.000 15.481 -7.341) 17.133 11.553 ( 0.000 0.754 -12.120) 12.143 11.630 ( 0.000 21.289 1.666) 21.354 11.745 ( 0.000 14.020 9.912) 17.170 11.950 ( 0.000 -1.051 5.355) 5.457 11.958 ( 0.000 -2.354 -7.508) 7.869 12.118 ( 0.000 9.529 -7.939) 12.403 12.185 ( 0.000 5.679 -11.477) 12.805 12.451 ( 0.000 -2.338 4.496) 5.068 12.510 ( 0.000 -7.406 3.772) 8.312 12.535 ( 0.000 17.957 2.779) 18.171 12.575 ( 0.000 4.719 0.998) 4.823 12.788 ( 0.000 -9.576 -2.259) 9.839 12.901 ( 0.000 -3.432 0.363) 3.451 12.998 ( 0.000 0.632 7.173) 7.201 13.213 ( 0.000 9.914 -3.207) 10.420 13.336 ( 0.000 -13.110 2.532) 13.352 13.455 ( 0.000 -14.112 -3.378) 14.511 14.526 ( 0.000 10.323 -8.140) 13.146 14.690 ( 0.000 -5.379 -9.144) 10.609 14.811 ( 0.000 7.639 0.347) 7.647 14.831 ( 0.000 -1.125 -6.939) 7.029 15.136 ( 0.000 3.294 0.401) 3.318 15.406 ( 0.000 13.239 4.096) 13.858 15.432 ( 0.000 -20.585 4.035) 20.977 15.585 ( 0.000 -2.621 -1.695) 3.121 16.302 ( 0.000 -2.546 -10.871) 11.165 16.437 ( 0.000 -13.694 -11.616) 17.958 16.885 ( 0.000 5.854 -13.287) 14.519 17.006 ( 0.000 -6.191 -11.302) 12.886 17.246 ( 0.000 12.118 14.460) 18.866 17.502 ( 0.000 -10.889 13.227) 17.133 17.599 ( 0.000 -2.142 10.183) 10.405 17.662 ( 0.000 -6.115 10.632) 12.265 ======================= Grid point 66 (29/60) ======================= q-point: ( 0.25 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 8.094 14.162 1.718) 16.402 2.021 ( 5.220 7.351 6.662) 11.211 2.061 ( 1.570 2.560 4.915) 5.760 2.174 ( -0.826 -3.863 3.322) 5.161 2.237 ( 0.314 2.543 4.728) 5.378 2.353 ( 1.555 -5.972 1.420) 6.332 2.516 ( 2.539 2.460 -0.421) 3.560 2.560 ( -5.205 0.422 0.218) 5.226 2.585 ( 0.757 -2.451 2.518) 3.595 2.628 ( 3.822 -3.288 4.986) 7.091 2.663 ( 0.218 -2.461 1.203) 2.748 2.686 ( -2.820 -5.964 2.448) 7.037 2.816 ( -5.044 3.563 -0.433) 6.191 2.901 ( -2.954 -4.356 1.038) 5.365 2.951 ( -4.528 -0.192 2.828) 5.342 3.053 ( -6.999 -8.575 0.717) 11.092 3.391 ( -1.463 4.460 -3.510) 5.861 3.406 ( -0.483 5.178 -5.117) 7.296 3.467 ( 0.385 4.105 -4.462) 6.075 3.537 ( 2.681 3.708 -1.122) 4.711 3.555 ( 1.013 2.577 -1.958) 3.392 3.592 ( -1.059 -5.934 -0.871) 6.091 3.670 ( 2.480 -2.497 -0.984) 3.654 3.683 ( 2.092 -2.115 -2.683) 4.006 3.696 ( 4.009 0.740 0.135) 4.079 3.793 ( 0.998 -6.678 1.518) 6.921 4.085 ( -9.273 1.899 -1.241) 9.546 4.129 ( -10.650 -2.893 1.584) 11.149 4.298 ( 0.654 19.629 4.349) 20.115 4.375 ( -1.901 21.229 5.159) 21.929 4.510 ( 5.603 -2.653 1.249) 6.324 4.690 ( 12.900 2.018 0.530) 13.068 4.729 ( 2.762 -9.281 0.686) 9.708 4.786 ( 8.783 -6.235 0.602) 10.788 5.162 ( -1.389 1.274 -4.479) 4.859 5.185 ( -2.453 -1.005 -4.043) 4.835 5.269 ( -2.839 3.866 1.186) 4.941 5.300 ( -4.528 1.968 -0.100) 4.938 5.365 ( -2.214 -0.067 -0.271) 2.232 5.374 ( -3.170 -2.098 0.304) 3.813 5.506 ( 1.868 3.439 1.821) 4.316 5.532 ( 0.208 3.259 2.901) 4.368 5.611 ( 1.622 -4.521 1.922) 5.173 5.635 ( 1.229 -10.056 1.562) 10.251 6.659 ( 1.368 11.934 -1.452) 12.099 6.743 ( 0.074 6.118 -0.099) 6.119 6.775 ( -0.854 7.401 0.996) 7.516 6.841 ( -1.830 2.398 0.960) 3.166 7.191 ( -0.603 2.862 -6.077) 6.744 7.204 ( 1.502 0.709 -4.986) 5.256 7.242 ( -1.652 7.356 -5.827) 9.528 7.312 ( -0.626 1.587 -4.834) 5.126 7.498 ( -0.767 2.884 4.657) 5.531 7.566 ( -3.338 3.610 -2.362) 5.454 7.652 ( 0.847 -8.918 -2.462) 9.290 7.726 ( -2.139 -9.985 -1.261) 10.289 8.095 ( 1.195 8.513 6.046) 10.510 8.217 ( 3.970 -3.424 2.366) 5.752 8.433 ( -8.310 4.854 -5.480) 11.075 8.496 ( -4.272 -1.268 -2.041) 4.902 8.835 ( 2.684 5.630 -3.301) 7.057 8.868 ( 2.641 1.694 3.690) 4.843 8.889 ( -1.435 0.599 2.929) 3.316 8.955 ( 0.377 -4.450 -4.315) 6.210 9.374 ( 14.106 10.774 7.888) 19.424 9.458 ( 8.965 0.884 4.010) 9.860 9.660 ( -0.727 19.603 2.133) 19.732 9.957 ( -6.284 -8.755 0.763) 10.803 10.098 ( 8.267 6.679 2.919) 11.022 10.284 ( 8.721 -9.855 1.072) 13.203 10.447 ( -9.673 13.929 9.636) 19.504 10.577 ( 19.335 11.202 -6.668) 23.319 10.660 ( 1.737 -6.086 0.415) 6.342 10.801 ( 6.591 -9.121 -1.194) 11.317 11.359 ( -5.694 16.157 -9.044) 19.371 11.468 ( -10.961 3.137 -13.432) 17.618 11.607 ( -1.608 23.807 5.052) 24.391 11.753 ( -0.785 8.474 4.376) 9.569 11.861 ( -7.306 2.696 0.302) 7.794 11.934 ( -2.679 -2.752 2.084) 4.370 12.108 ( 1.199 12.073 -5.557) 13.344 12.177 ( 0.620 5.695 -5.263) 7.779 12.389 ( -7.951 -0.014 4.716) 9.245 12.428 ( -7.986 1.915 7.169) 10.901 12.522 ( 2.645 5.666 -0.299) 6.260 12.585 ( 0.977 5.752 0.847) 5.896 12.816 ( 2.003 -16.318 -2.962) 16.705 12.919 ( -0.091 -14.518 1.410) 14.587 12.982 ( 0.872 12.948 1.615) 13.077 13.157 ( -4.073 10.808 -3.129) 11.967 13.362 ( 1.172 -14.920 1.931) 15.090 13.433 ( -1.879 -14.329 -3.002) 14.760 14.524 ( 0.418 12.503 -7.544) 14.608 14.645 ( -4.169 10.752 -6.931) 13.454 14.790 ( 0.897 -8.965 -5.031) 10.319 14.860 ( -0.150 -3.290 -5.802) 6.672 15.161 ( 2.598 7.324 2.006) 8.026 15.327 ( -4.714 13.291 3.245) 14.471 15.479 ( 3.111 -19.935 4.197) 20.608 15.600 ( -0.523 -10.499 0.221) 10.514 16.371 ( 7.927 5.957 -11.394) 15.104 16.570 ( 9.180 -8.953 -14.061) 19.030 16.823 ( -4.930 3.261 -11.578) 13.000 16.974 ( -3.632 -8.723 -12.896) 15.987 17.291 ( 4.114 10.318 14.598) 18.344 17.511 ( -0.585 -4.579 13.329) 14.105 17.545 ( -3.277 -5.853 11.474) 13.291 17.632 ( -2.677 -7.541 11.392) 13.922 ======================= Grid point 67 (30/60) ======================= q-point: (-0.50 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -3.086 8.121 4.871) 9.959 2.052 ( 3.086 8.121 4.871) 9.959 2.137 ( -3.664 -1.098 2.640) 4.648 2.137 ( 3.664 -1.098 2.640) 4.648 2.330 ( -10.187 6.419 1.227) 12.104 2.330 ( 10.187 6.419 1.227) 12.104 2.452 ( -7.478 -3.081 -1.134) 8.167 2.452 ( 7.478 -3.081 -1.134) 8.167 2.648 ( -1.970 -0.103 2.549) 3.223 2.648 ( 1.970 -0.103 2.549) 3.223 2.696 ( -0.852 -3.752 1.321) 4.068 2.696 ( 0.852 -3.752 1.321) 4.068 2.812 ( -6.901 -1.111 5.011) 8.600 2.812 ( 6.901 -1.111 5.011) 8.600 2.913 ( -5.162 -8.424 2.512) 10.194 2.913 ( 5.162 -8.424 2.512) 10.194 3.385 ( -1.040 8.372 -3.496) 9.132 3.385 ( 1.040 8.372 -3.496) 9.132 3.500 ( -3.069 -2.469 -2.472) 4.651 3.500 ( 3.069 -2.469 -2.472) 4.651 3.580 ( -1.305 2.755 -0.064) 3.050 3.580 ( 1.305 2.755 -0.064) 3.050 3.688 ( -1.406 -6.464 -0.143) 6.617 3.688 ( 1.406 -6.464 -0.143) 6.617 3.869 ( -6.085 2.256 -2.976) 7.140 3.869 ( 6.085 2.256 -2.976) 7.140 3.927 ( -5.623 -3.653 -1.282) 6.827 3.927 ( 5.623 -3.653 -1.282) 6.827 4.332 ( -2.235 22.741 5.033) 23.398 4.332 ( 2.235 22.741 5.033) 23.398 4.640 ( -6.311 -6.282 1.880) 9.101 4.640 ( 6.311 -6.282 1.880) 9.101 4.968 ( -12.897 1.905 -0.808) 13.062 4.968 ( 12.897 1.905 -0.808) 13.062 5.048 ( -11.333 -5.356 -3.063) 12.903 5.048 ( 11.333 -5.356 -3.063) 12.903 5.270 ( -0.763 3.559 -0.638) 3.695 5.270 ( 0.763 3.559 -0.638) 3.695 5.335 ( -1.131 -2.072 0.712) 2.466 5.335 ( 1.131 -2.072 0.712) 2.466 5.530 ( -0.621 4.075 2.369) 4.754 5.530 ( 0.621 4.075 2.369) 4.754 5.639 ( -0.801 -7.379 1.463) 7.565 5.639 ( 0.801 -7.379 1.463) 7.565 6.700 ( -2.484 12.184 1.031) 12.477 6.700 ( 2.484 12.184 1.031) 12.477 6.803 ( -1.853 1.868 0.301) 2.649 6.803 ( 1.853 1.868 0.301) 2.649 7.202 ( -1.746 5.038 -4.558) 7.014 7.202 ( 1.746 5.038 -4.558) 7.014 7.260 ( -3.517 -0.338 -3.561) 5.016 7.260 ( 3.517 -0.338 -3.561) 5.016 7.506 ( -1.991 4.746 1.606) 5.392 7.506 ( 1.991 4.746 1.606) 5.392 7.681 ( -1.997 -10.257 -1.719) 10.590 7.681 ( 1.997 -10.257 -1.719) 10.590 8.215 ( -9.865 9.082 -2.290) 13.603 8.215 ( 9.865 9.082 -2.290) 13.603 8.347 ( -8.150 -4.169 -1.216) 9.235 8.347 ( 8.150 -4.169 -1.216) 9.235 8.892 ( -2.244 4.038 -1.318) 4.804 8.892 ( 2.244 4.038 -1.318) 4.804 8.923 ( -3.032 -0.522 -2.275) 3.826 8.923 ( 3.032 -0.522 -2.275) 3.826 9.595 ( -4.775 12.791 3.480) 14.090 9.595 ( 4.775 12.791 3.480) 14.090 9.733 ( -14.942 -0.010 7.609) 16.767 9.733 ( 14.942 -0.010 7.609) 16.767 10.246 ( -7.295 11.049 6.321) 14.671 10.246 ( 7.295 11.049 6.321) 14.671 10.530 ( -11.310 -14.630 3.803) 18.879 10.530 ( 11.310 -14.630 3.803) 18.879 11.048 ( -13.832 9.019 -11.632) 20.198 11.048 ( 13.832 9.019 -11.632) 20.198 11.141 ( -7.183 0.307 -12.067) 14.046 11.141 ( 7.183 0.307 -12.067) 14.046 11.620 ( -4.612 21.290 4.809) 22.309 11.620 ( 4.612 21.290 4.809) 22.309 11.865 ( -3.566 0.718 5.787) 6.836 11.865 ( 3.566 0.718 5.787) 6.836 12.186 ( -3.604 10.769 -2.938) 11.730 12.186 ( 3.604 10.769 -2.938) 11.730 12.280 ( -2.390 -0.611 5.211) 5.766 12.280 ( 2.390 -0.611 5.211) 5.766 12.578 ( -1.814 3.697 -0.883) 4.212 12.578 ( 1.814 3.697 -0.883) 4.212 12.870 ( -3.137 -18.514 -0.593) 18.787 12.870 ( 3.137 -18.514 -0.593) 18.787 13.062 ( -5.111 15.093 -1.660) 16.021 13.062 ( 5.111 15.093 -1.660) 16.021 13.390 ( -1.978 -16.293 -0.985) 16.442 13.390 ( 1.978 -16.293 -0.985) 16.442 14.561 ( -3.268 15.282 -6.598) 16.963 14.561 ( 3.268 15.282 -6.598) 16.963 14.829 ( -2.276 -9.819 -6.479) 11.982 14.829 ( 2.276 -9.819 -6.479) 11.982 15.235 ( -4.246 12.219 3.230) 13.333 15.235 ( 4.246 12.219 3.230) 13.333 15.551 ( -3.527 -17.911 2.630) 18.443 15.551 ( 3.527 -17.911 2.630) 18.443 16.575 ( -9.389 12.543 -13.698) 20.811 16.575 ( 9.389 12.543 -13.698) 20.811 16.850 ( -7.614 -13.936 -12.664) 20.311 16.850 ( 7.614 -13.936 -12.664) 20.311 17.403 ( -6.385 5.987 14.122) 16.615 17.403 ( 6.385 5.987 14.122) 16.615 17.570 ( -2.844 -10.125 12.491) 16.329 17.570 ( 2.844 -10.125 12.491) 16.329 ======================= Grid point 90 (31/60) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 0.000 0.000 23.124) 23.124 1.296 ( 0.000 0.000 28.405) 28.405 1.903 ( 0.000 0.000 10.780) 10.780 1.977 ( 0.000 0.000 -0.175) 0.175 2.007 ( 0.000 0.000 43.673) 43.673 2.122 ( 0.000 0.000 9.065) 9.065 2.303 ( 0.000 0.000 5.456) 5.456 2.368 ( 0.000 0.000 -6.378) 6.378 2.424 ( 0.000 0.000 3.474) 3.474 2.560 ( 0.000 0.000 -6.888) 6.888 2.636 ( 0.000 0.000 -2.975) 2.975 2.755 ( 0.000 0.000 -7.466) 7.466 2.869 ( 0.000 0.000 -10.082) 10.082 2.987 ( 0.000 0.000 -10.699) 10.699 2.988 ( 0.000 0.000 -7.892) 7.892 2.996 ( 0.000 0.000 0.379) 0.379 3.068 ( 0.000 0.000 1.442) 1.442 3.200 ( 0.000 0.000 0.960) 0.960 3.311 ( 0.000 0.000 -8.901) 8.901 3.314 ( 0.000 0.000 -6.142) 6.142 3.360 ( 0.000 0.000 -3.362) 3.362 3.665 ( 0.000 0.000 -1.742) 1.742 3.771 ( 0.000 0.000 8.087) 8.087 3.911 ( 0.000 0.000 6.058) 6.058 3.953 ( 0.000 0.000 6.710) 6.710 4.019 ( 0.000 0.000 0.364) 0.364 4.020 ( 0.000 0.000 4.049) 4.049 4.115 ( 0.000 0.000 -2.060) 2.060 4.184 ( 0.000 0.000 -4.431) 4.431 4.280 ( 0.000 0.000 -0.780) 0.780 4.369 ( 0.000 0.000 0.051) 0.051 4.457 ( 0.000 0.000 -4.068) 4.068 4.472 ( 0.000 0.000 8.497) 8.497 4.473 ( 0.000 0.000 -2.457) 2.457 4.675 ( 0.000 0.000 1.862) 1.862 4.733 ( 0.000 0.000 4.592) 4.592 4.840 ( 0.000 0.000 5.643) 5.643 4.853 ( 0.000 0.000 -2.579) 2.579 4.966 ( 0.000 0.000 -5.057) 5.057 5.031 ( 0.000 0.000 -3.893) 3.893 5.377 ( 0.000 0.000 3.428) 3.428 5.450 ( 0.000 0.000 1.574) 1.574 5.491 ( 0.000 0.000 -5.419) 5.419 5.663 ( 0.000 0.000 1.369) 1.369 5.685 ( 0.000 0.000 7.754) 7.754 5.706 ( 0.000 0.000 -0.786) 0.786 5.824 ( 0.000 0.000 -10.701) 10.701 6.246 ( 0.000 0.000 -6.619) 6.619 6.466 ( 0.000 0.000 16.473) 16.473 6.842 ( 0.000 0.000 3.226) 3.226 7.049 ( 0.000 0.000 -1.722) 1.722 7.069 ( 0.000 0.000 14.632) 14.632 7.153 ( 0.000 0.000 -1.091) 1.091 7.263 ( 0.000 0.000 -5.609) 5.609 7.363 ( 0.000 0.000 -7.743) 7.743 7.770 ( 0.000 0.000 -9.824) 9.824 7.799 ( 0.000 0.000 -9.011) 9.011 7.930 ( 0.000 0.000 -4.704) 4.704 8.116 ( 0.000 0.000 7.620) 7.620 8.129 ( 0.000 0.000 -2.780) 2.780 8.360 ( 0.000 0.000 3.927) 3.927 8.437 ( 0.000 0.000 5.135) 5.135 8.704 ( 0.000 0.000 -13.330) 13.330 8.708 ( 0.000 0.000 4.451) 4.451 8.771 ( 0.000 0.000 8.434) 8.434 9.014 ( 0.000 0.000 -0.995) 0.995 9.047 ( 0.000 0.000 8.609) 8.609 9.151 ( 0.000 0.000 0.332) 0.332 9.237 ( 0.000 0.000 0.038) 0.038 9.391 ( 0.000 0.000 -12.390) 12.390 10.083 ( 0.000 0.000 -1.448) 1.448 10.313 ( 0.000 0.000 -3.647) 3.647 10.375 ( 0.000 0.000 -10.157) 10.157 10.542 ( 0.000 0.000 -2.975) 2.975 10.642 ( 0.000 0.000 -0.174) 0.174 10.777 ( 0.000 0.000 1.740) 1.740 10.930 ( 0.000 0.000 9.286) 9.286 11.025 ( 0.000 0.000 9.100) 9.100 11.263 ( 0.000 0.000 -16.555) 16.555 11.362 ( 0.000 0.000 -0.458) 0.458 11.374 ( 0.000 0.000 -10.794) 10.794 11.493 ( 0.000 0.000 -0.959) 0.959 11.509 ( 0.000 0.000 -4.802) 4.802 11.564 ( 0.000 0.000 -6.466) 6.466 12.835 ( 0.000 0.000 8.252) 8.252 12.853 ( 0.000 0.000 7.927) 7.927 13.035 ( 0.000 0.000 -1.789) 1.789 13.039 ( 0.000 0.000 -1.669) 1.669 13.220 ( 0.000 0.000 15.956) 15.956 13.614 ( 0.000 0.000 0.876) 0.876 13.672 ( 0.000 0.000 5.046) 5.046 14.073 ( 0.000 0.000 8.562) 8.562 14.134 ( 0.000 0.000 4.540) 4.540 14.408 ( 0.000 0.000 -3.310) 3.310 14.459 ( 0.000 0.000 -8.264) 8.264 14.911 ( 0.000 0.000 -21.376) 21.376 15.103 ( 0.000 0.000 4.279) 4.279 15.138 ( 0.000 0.000 -7.426) 7.426 15.704 ( 0.000 0.000 4.941) 4.941 15.975 ( 0.000 0.000 7.257) 7.257 16.405 ( 0.000 0.000 -9.019) 9.019 16.561 ( 0.000 0.000 -5.896) 5.896 17.330 ( 0.000 0.000 7.148) 7.148 17.460 ( 0.000 0.000 -1.195) 1.195 17.627 ( 0.000 0.000 3.438) 3.438 17.953 ( 0.000 0.000 -3.383) 3.383 18.194 ( 0.000 0.000 6.890) 6.890 18.323 ( 0.000 0.000 3.561) 3.561 ======================= Grid point 91 (32/60) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 7.923 0.000 20.789) 22.248 1.281 ( 3.786 0.000 27.189) 27.452 1.631 ( -15.012 0.000 11.833) 19.115 1.907 ( -17.158 0.000 10.759) 20.253 2.187 ( 9.241 0.000 -5.630) 10.821 2.286 ( 15.251 0.000 24.337) 28.720 2.325 ( 1.181 0.000 5.601) 5.724 2.406 ( 1.711 0.000 -6.404) 6.628 2.461 ( 6.874 0.000 7.951) 10.511 2.593 ( 1.334 0.000 -5.679) 5.833 2.608 ( -0.117 0.000 -5.666) 5.668 2.674 ( -2.582 0.000 -2.833) 3.833 2.827 ( -0.745 0.000 -5.103) 5.158 2.925 ( -6.332 0.000 2.438) 6.785 2.951 ( -3.775 0.000 -2.678) 4.628 3.073 ( 2.088 0.000 0.036) 2.088 3.101 ( 7.282 0.000 -8.284) 11.029 3.213 ( -2.785 0.000 -2.329) 3.630 3.293 ( -1.831 0.000 -8.585) 8.778 3.368 ( 5.868 0.000 -1.765) 6.128 3.416 ( 5.269 0.000 -3.816) 6.506 3.662 ( -3.538 0.000 0.260) 3.548 3.755 ( -0.428 0.000 8.053) 8.064 3.863 ( -8.977 0.000 0.674) 9.002 3.876 ( -5.450 0.000 6.569) 8.536 3.924 ( -19.919 0.000 14.395) 24.576 3.995 ( 6.738 0.000 2.725) 7.268 4.093 ( -1.865 0.000 0.561) 1.948 4.126 ( 0.587 0.000 3.808) 3.853 4.216 ( 0.720 0.000 -5.106) 5.157 4.376 ( 0.598 0.000 1.935) 2.025 4.404 ( 3.321 0.000 -8.778) 9.386 4.442 ( -1.186 0.000 -0.310) 1.226 4.557 ( -2.262 0.000 -0.250) 2.276 4.696 ( 2.203 0.000 -0.648) 2.296 4.800 ( 5.357 0.000 2.255) 5.812 4.828 ( -2.511 0.000 -2.653) 3.653 4.955 ( -1.233 0.000 -4.452) 4.620 4.987 ( 7.056 0.000 0.599) 7.081 5.069 ( 3.276 0.000 -4.157) 5.292 5.391 ( 2.272 0.000 3.286) 3.995 5.471 ( 2.371 0.000 2.753) 3.633 5.473 ( -1.000 0.000 -4.239) 4.355 5.621 ( -3.695 0.000 5.888) 6.951 5.656 ( -0.388 0.000 0.134) 0.410 5.708 ( -0.630 0.000 0.935) 1.128 5.949 ( 8.133 0.000 -7.886) 11.328 6.195 ( -4.117 0.000 -4.641) 6.204 6.547 ( 6.717 0.000 10.058) 12.095 6.778 ( -3.999 0.000 4.485) 6.009 7.051 ( 0.467 0.000 -1.260) 1.344 7.126 ( -2.226 0.000 -0.716) 2.338 7.225 ( 12.208 0.000 8.619) 14.944 7.288 ( 1.928 0.000 -6.102) 6.399 7.355 ( -0.824 0.000 -7.313) 7.360 7.654 ( -4.097 0.000 -1.130) 4.250 7.749 ( -9.750 0.000 -10.205) 14.114 7.979 ( -11.800 0.000 12.463) 17.164 7.992 ( 5.628 0.000 -3.755) 6.766 8.151 ( 2.258 0.000 -3.090) 3.827 8.285 ( -7.111 0.000 1.634) 7.296 8.361 ( -4.904 0.000 4.211) 6.464 8.642 ( 3.499 0.000 -8.320) 9.026 8.823 ( 7.085 0.000 3.909) 8.092 8.920 ( 6.037 0.000 -3.960) 7.220 9.032 ( 1.223 0.000 0.032) 1.223 9.102 ( 3.512 0.000 5.120) 6.208 9.131 ( -1.751 0.000 0.093) 1.753 9.201 ( -3.098 0.000 -0.169) 3.103 9.334 ( -5.553 0.000 -2.206) 5.975 10.000 ( -1.007 0.000 0.547) 1.146 10.260 ( -0.886 0.000 1.841) 2.043 10.344 ( -7.361 0.000 -8.113) 10.955 10.619 ( -9.018 0.000 8.674) 12.513 10.685 ( 7.842 0.000 -3.792) 8.710 10.749 ( 4.835 0.000 -2.400) 5.398 10.869 ( 6.610 0.000 -2.949) 7.238 11.114 ( -0.462 0.000 3.196) 3.229 11.181 ( -6.627 0.000 -12.773) 14.390 11.305 ( -6.363 0.000 -10.131) 11.964 11.359 ( -0.213 0.000 -1.725) 1.738 11.428 ( -2.829 0.000 -2.495) 3.772 11.555 ( 1.718 0.000 -2.718) 3.215 11.572 ( 0.569 0.000 -5.173) 5.204 12.889 ( 3.948 0.000 9.503) 10.291 13.011 ( 6.728 0.000 8.428) 10.784 13.016 ( 1.166 0.000 0.186) 1.181 13.087 ( 1.058 0.000 -0.435) 1.144 13.236 ( 5.910 0.000 6.649) 8.895 13.583 ( -3.531 0.000 -0.483) 3.564 13.722 ( 4.587 0.000 6.107) 7.638 13.984 ( -6.777 0.000 7.964) 10.457 14.174 ( 3.796 0.000 2.622) 4.613 14.370 ( -3.567 0.000 -2.733) 4.493 14.558 ( 7.857 0.000 -11.022) 13.536 14.872 ( -4.248 0.000 -21.909) 22.317 15.049 ( -3.827 0.000 -0.849) 3.920 15.090 ( -3.152 0.000 4.420) 5.429 15.753 ( 4.036 0.000 3.451) 5.311 15.927 ( -3.622 0.000 4.157) 5.513 16.523 ( 8.058 0.000 -8.187) 11.488 16.600 ( 2.980 0.000 -6.138) 6.823 17.304 ( -1.585 0.000 5.422) 5.649 17.395 ( -4.868 0.000 -0.975) 4.964 17.698 ( 5.100 0.000 3.176) 6.008 17.895 ( -4.434 0.000 0.620) 4.477 18.221 ( 2.081 0.000 5.930) 6.285 18.305 ( -1.606 0.000 4.579) 4.853 ======================= Grid point 92 (33/60) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -13.060 0.000 16.164) 20.780 1.338 ( 13.060 0.000 16.164) 20.780 1.521 ( -17.850 0.000 16.858) 24.552 1.521 ( 17.850 0.000 16.858) 24.552 2.343 ( -6.392 0.000 -10.823) 12.570 2.343 ( 6.392 0.000 -10.823) 12.570 2.354 ( -1.402 0.000 4.937) 5.132 2.354 ( 1.402 0.000 4.937) 5.132 2.564 ( -1.678 0.000 -9.160) 9.312 2.564 ( 1.678 0.000 -9.160) 9.312 2.760 ( -8.528 0.000 4.515) 9.650 2.760 ( 8.528 0.000 4.515) 9.650 2.815 ( -7.255 0.000 4.123) 8.345 2.815 ( 7.255 0.000 4.123) 8.345 2.991 ( -12.317 0.000 5.201) 13.370 2.991 ( 12.317 0.000 5.201) 13.370 3.228 ( -4.692 0.000 -8.373) 9.598 3.228 ( 4.692 0.000 -8.373) 9.598 3.300 ( -14.693 0.000 10.809) 18.240 3.300 ( 14.693 0.000 10.809) 18.240 3.505 ( -1.587 0.000 -4.001) 4.304 3.505 ( 1.587 0.000 -4.001) 4.304 3.737 ( -2.554 0.000 2.366) 3.481 3.737 ( 2.554 0.000 2.366) 3.481 3.781 ( -3.161 0.000 7.393) 8.041 3.781 ( 3.161 0.000 7.393) 8.041 4.113 ( -2.134 0.000 1.938) 2.883 4.113 ( 2.134 0.000 1.938) 2.883 4.146 ( -6.802 0.000 -2.697) 7.317 4.146 ( 6.802 0.000 -2.697) 7.317 4.409 ( -2.159 0.000 2.722) 3.474 4.409 ( 2.159 0.000 2.722) 3.474 4.484 ( -4.050 0.000 -3.123) 5.114 4.484 ( 4.050 0.000 -3.123) 5.114 4.760 ( -3.674 0.000 -2.472) 4.428 4.760 ( 3.674 0.000 -2.472) 4.428 4.903 ( -3.961 0.000 -1.514) 4.241 4.903 ( 3.961 0.000 -1.514) 4.241 5.075 ( -2.705 0.000 -5.896) 6.487 5.075 ( 2.705 0.000 -5.896) 6.487 5.454 ( -1.944 0.000 -0.513) 2.010 5.454 ( 1.944 0.000 -0.513) 2.010 5.543 ( -4.030 0.000 4.961) 6.392 5.543 ( 4.030 0.000 4.961) 6.392 5.671 ( -2.157 0.000 1.792) 2.805 5.671 ( 2.157 0.000 1.792) 2.805 6.094 ( -5.812 0.000 -5.781) 8.198 6.094 ( 5.812 0.000 -5.781) 8.198 6.686 ( -5.672 0.000 4.293) 7.113 6.686 ( 5.672 0.000 4.293) 7.113 7.077 ( -2.115 0.000 -0.511) 2.176 7.077 ( 2.115 0.000 -0.511) 2.176 7.328 ( -1.762 0.000 -6.769) 6.994 7.328 ( 1.762 0.000 -6.769) 6.994 7.494 ( -13.086 0.000 -4.403) 13.807 7.494 ( 13.086 0.000 -4.403) 13.807 7.714 ( -10.521 0.000 12.657) 16.459 7.714 ( 10.521 0.000 12.657) 16.459 8.129 ( -6.880 0.000 0.215) 6.884 8.129 ( 6.880 0.000 0.215) 6.884 8.243 ( -5.763 0.000 -3.040) 6.516 8.243 ( 5.763 0.000 -3.040) 6.516 8.803 ( -8.621 0.000 -8.067) 11.807 8.803 ( 8.621 0.000 -8.067) 11.807 9.027 ( -5.086 0.000 2.384) 5.617 9.027 ( 5.086 0.000 2.384) 5.617 9.130 ( -3.333 0.000 -1.324) 3.587 9.130 ( 3.333 0.000 -1.324) 3.587 9.196 ( -6.296 0.000 5.314) 8.239 9.196 ( 6.296 0.000 5.314) 8.239 10.128 ( -11.059 0.000 -2.813) 11.411 10.128 ( 11.059 0.000 -2.813) 11.411 10.355 ( -10.264 0.000 9.152) 13.752 10.355 ( 10.264 0.000 9.152) 13.752 10.886 ( -8.268 0.000 -10.350) 13.247 10.886 ( 8.268 0.000 -10.350) 13.247 10.975 ( -11.152 0.000 -4.253) 11.935 10.975 ( 11.152 0.000 -4.253) 11.935 11.149 ( -6.680 0.000 -6.636) 9.416 11.149 ( 6.680 0.000 -6.636) 9.416 11.380 ( -2.051 0.000 -1.484) 2.531 11.380 ( 2.051 0.000 -1.484) 2.531 11.576 ( -0.348 0.000 -3.530) 3.547 11.576 ( 0.348 0.000 -3.530) 3.547 12.985 ( -4.764 0.000 12.389) 13.273 12.985 ( 4.764 0.000 12.389) 13.273 13.066 ( -2.669 0.000 1.402) 3.015 13.066 ( 2.669 0.000 1.402) 3.015 13.450 ( -9.730 0.000 -2.441) 10.031 13.450 ( 9.730 0.000 -2.441) 10.031 13.841 ( -6.688 0.000 7.160) 9.798 13.841 ( 6.688 0.000 7.160) 9.798 14.274 ( -5.354 0.000 -0.721) 5.402 14.274 ( 5.354 0.000 -0.721) 5.402 14.732 ( -8.469 0.000 -18.097) 19.980 14.732 ( 8.469 0.000 -18.097) 19.980 15.031 ( -1.899 0.000 4.315) 4.715 15.031 ( 1.899 0.000 4.315) 4.715 15.844 ( -4.433 0.000 2.438) 5.059 15.844 ( 4.433 0.000 2.438) 5.059 16.630 ( -1.415 0.000 -6.878) 7.022 16.630 ( 1.415 0.000 -6.878) 7.022 17.308 ( -2.534 0.000 1.560) 2.976 17.308 ( 2.534 0.000 1.560) 2.976 17.801 ( -4.758 0.000 3.004) 5.627 17.801 ( 4.758 0.000 3.004) 5.627 18.265 ( -2.113 0.000 5.610) 5.995 18.265 ( 2.113 0.000 5.610) 5.995 ======================= Grid point 95 (34/60) ======================= q-point: ( 0.00 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 0.000 5.591 26.372) 26.958 1.359 ( 0.000 23.179 18.074) 29.393 2.066 ( 0.000 11.831 13.488) 17.942 2.137 ( 0.000 7.713 16.744) 18.434 2.145 ( 0.000 11.950 -0.118) 11.951 2.165 ( 0.000 12.823 23.332) 26.623 2.300 ( 0.000 0.036 5.245) 5.245 2.399 ( 0.000 2.893 -0.922) 3.037 2.465 ( 0.000 5.843 -0.812) 5.900 2.572 ( 0.000 2.346 -5.822) 6.277 2.600 ( 0.000 -1.176 -2.915) 3.143 2.829 ( 0.000 -4.614 -8.792) 9.929 2.846 ( 0.000 3.752 -6.677) 7.659 2.895 ( 0.000 -5.246 -11.182) 12.351 3.007 ( 0.000 -0.666 -2.783) 2.861 3.018 ( 0.000 4.504 1.558) 4.766 3.082 ( 0.000 0.859 -1.146) 1.433 3.179 ( 0.000 -1.593 1.881) 2.465 3.303 ( 0.000 -0.964 -5.795) 5.875 3.320 ( 0.000 1.213 -4.456) 4.618 3.395 ( 0.000 3.751 -5.594) 6.735 3.641 ( 0.000 -1.947 -2.084) 2.852 3.842 ( 0.000 -5.813 5.935) 8.308 3.910 ( 0.000 -2.563 3.911) 4.676 3.943 ( 0.000 3.428 3.682) 5.031 3.993 ( 0.000 -1.822 -0.403) 1.866 4.064 ( 0.000 -4.624 -2.050) 5.059 4.074 ( 0.000 10.515 4.468) 11.425 4.226 ( 0.000 -2.913 -2.096) 3.589 4.321 ( 0.000 3.836 3.118) 4.944 4.464 ( 0.000 9.728 -0.112) 9.729 4.470 ( 0.000 0.957 1.550) 1.822 4.578 ( 0.000 -5.346 4.055) 6.710 4.653 ( 0.000 13.131 1.926) 13.271 4.706 ( 0.000 18.804 -2.794) 19.011 4.789 ( 0.000 -2.646 4.228) 4.988 4.850 ( 0.000 14.549 2.403) 14.746 4.979 ( 0.000 1.809 -5.416) 5.710 5.021 ( 0.000 13.621 -1.896) 13.753 5.057 ( 0.000 4.452 -3.544) 5.690 5.412 ( 0.000 3.789 1.952) 4.262 5.467 ( 0.000 -1.356 -4.151) 4.367 5.516 ( 0.000 6.946 4.599) 8.331 5.705 ( 0.000 2.613 5.983) 6.528 5.751 ( 0.000 9.550 0.949) 9.597 5.786 ( 0.000 6.162 1.564) 6.357 5.927 ( 0.000 9.660 -10.235) 14.074 6.257 ( 0.000 0.267 -6.626) 6.632 6.711 ( 0.000 24.595 11.374) 27.098 6.790 ( 0.000 -3.882 2.257) 4.491 7.085 ( 0.000 0.372 -1.963) 1.998 7.144 ( 0.000 2.346 -0.419) 2.383 7.166 ( 0.000 3.725 -0.854) 3.822 7.319 ( 0.000 -0.550 -4.563) 4.596 7.399 ( 0.000 13.251 0.189) 13.253 7.753 ( 0.000 -1.210 -5.596) 5.725 7.881 ( 0.000 7.622 -9.185) 11.935 7.926 ( 0.000 -0.024 -4.143) 4.143 8.145 ( 0.000 2.996 6.325) 6.998 8.274 ( 0.000 10.137 -4.091) 10.931 8.345 ( 0.000 -1.240 3.979) 4.168 8.467 ( 0.000 6.643 5.063) 8.353 8.715 ( 0.000 -0.891 9.005) 9.049 8.783 ( 0.000 6.920 -12.087) 13.928 8.858 ( 0.000 8.457 5.191) 9.923 9.076 ( 0.000 3.241 7.464) 8.138 9.105 ( 0.000 2.400 -5.360) 5.873 9.277 ( 0.000 16.128 -1.536) 16.201 9.403 ( 0.000 15.353 -0.001) 15.353 9.548 ( 0.000 17.191 -6.831) 18.499 10.007 ( 0.000 -6.140 -1.545) 6.332 10.299 ( 0.000 1.816 -5.461) 5.755 10.461 ( 0.000 5.380 0.019) 5.380 10.617 ( 0.000 3.335 -0.282) 3.347 10.629 ( 0.000 2.345 -0.760) 2.465 10.817 ( 0.000 2.430 2.805) 3.712 10.961 ( 0.000 5.311 4.504) 6.964 11.118 ( 0.000 9.030 9.415) 13.045 11.141 ( 0.000 -4.510 -7.906) 9.102 11.419 ( 0.000 4.226 -11.679) 12.419 11.541 ( 0.000 12.185 -5.514) 13.375 11.545 ( 0.000 4.080 -5.450) 6.808 11.575 ( 0.000 1.254 -5.138) 5.289 11.607 ( 0.000 10.653 -3.261) 11.141 12.772 ( 0.000 -1.596 5.344) 5.578 12.821 ( 0.000 -3.058 7.335) 7.947 13.055 ( 0.000 1.663 -0.000) 1.663 13.078 ( 0.000 -0.711 11.686) 11.708 13.320 ( 0.000 7.240 -1.245) 7.347 13.545 ( 0.000 -6.436 -0.310) 6.444 13.651 ( 0.000 -2.100 5.154) 5.565 14.027 ( 0.000 -3.057 3.317) 4.511 14.073 ( 0.000 -5.718 2.241) 6.142 14.477 ( 0.000 0.975 -9.335) 9.385 14.481 ( 0.000 6.391 1.772) 6.632 14.956 ( 0.000 4.529 -16.956) 17.550 15.091 ( 0.000 -1.212 3.308) 3.523 15.113 ( 0.000 -2.478 -8.365) 8.725 15.658 ( 0.000 -4.772 5.124) 7.002 16.011 ( 0.000 3.730 2.353) 4.410 16.340 ( 0.000 -6.638 -8.363) 10.677 16.528 ( 0.000 -3.369 -6.431) 7.261 17.311 ( 0.000 -2.064 5.916) 6.266 17.391 ( 0.000 -7.256 -1.315) 7.374 17.554 ( 0.000 -6.903 4.798) 8.407 17.899 ( 0.000 -4.703 -1.349) 4.892 18.166 ( 0.000 -2.771 6.936) 7.469 18.275 ( 0.000 -4.542 4.591) 6.459 ======================= Grid point 96 (35/60) ======================= q-point: ( 0.25 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 4.657 7.782 23.371) 25.069 1.470 ( 6.740 24.047 16.241) 29.790 1.866 ( -12.232 18.236 9.151) 23.789 1.950 ( -15.907 5.225 10.443) 19.733 2.231 ( 5.234 2.789 3.920) 7.109 2.303 ( 0.112 -1.076 4.279) 4.413 2.415 ( 10.339 10.187 6.370) 15.850 2.457 ( 5.514 5.369 1.484) 7.837 2.482 ( 3.519 3.104 3.632) 5.934 2.566 ( -0.984 -1.110 -3.945) 4.214 2.628 ( 3.982 3.972 -3.436) 6.591 2.749 ( -2.167 3.637 -2.819) 5.087 2.796 ( 0.106 -3.138 -4.134) 5.192 2.920 ( -1.391 -0.545 -3.949) 4.223 2.965 ( -5.027 4.605 2.612) 7.300 3.056 ( 3.426 -1.598 1.123) 3.943 3.118 ( 2.857 -0.423 -4.561) 5.399 3.200 ( -0.487 -0.508 -1.976) 2.097 3.318 ( -1.292 2.147 -7.114) 7.542 3.362 ( 7.101 -0.677 -1.554) 7.300 3.436 ( 4.129 2.455 -3.591) 5.998 3.643 ( -3.770 -2.281 0.137) 4.409 3.748 ( -5.680 -4.093 5.219) 8.732 3.879 ( -6.586 2.110 4.631) 8.323 3.888 ( -8.476 0.967 5.880) 10.361 3.977 ( -5.875 1.760 1.952) 6.436 3.999 ( -0.843 -2.228 5.530) 6.022 4.079 ( -0.087 -3.222 4.231) 5.319 4.127 ( 2.572 5.602 2.442) 6.630 4.289 ( 0.044 2.207 -7.375) 7.698 4.404 ( -2.485 1.132 -5.711) 6.330 4.476 ( -3.961 -2.434 2.035) 5.075 4.621 ( 2.718 12.532 3.271) 13.234 4.636 ( 0.738 16.179 3.252) 16.519 4.761 ( 4.683 11.955 -1.837) 12.970 4.853 ( 1.901 8.287 0.686) 8.530 4.912 ( 2.195 4.094 -2.146) 5.117 4.970 ( -1.093 1.702 -4.764) 5.176 5.063 ( 4.115 8.362 0.248) 9.323 5.083 ( 2.013 4.050 -5.403) 7.046 5.409 ( 0.433 1.906 0.764) 2.098 5.440 ( -0.485 0.884 0.844) 1.315 5.576 ( 3.747 8.214 2.720) 9.429 5.675 ( -1.819 5.297 5.059) 7.547 5.744 ( -0.727 8.704 1.103) 8.804 5.778 ( -1.077 6.226 1.812) 6.573 6.001 ( 5.680 5.417 -8.034) 11.232 6.214 ( -3.811 1.122 -5.523) 6.803 6.737 ( 3.382 11.891 0.974) 12.401 6.842 ( 2.465 10.178 4.253) 11.303 7.057 ( 0.124 1.671 -1.187) 2.054 7.139 ( -1.410 2.282 -1.519) 3.083 7.252 ( 5.462 0.453 -2.754) 6.134 7.327 ( 0.401 -1.655 -5.883) 6.124 7.415 ( 3.002 13.786 2.867) 14.397 7.691 ( -2.966 2.972 -0.069) 4.199 7.791 ( -9.201 3.976 -7.786) 12.692 7.981 ( -0.895 -0.366 2.759) 2.923 8.008 ( -2.796 2.379 4.043) 5.461 8.260 ( -1.645 5.381 -1.090) 5.731 8.321 ( -6.718 8.461 3.118) 11.245 8.368 ( -5.952 1.846 3.549) 7.172 8.717 ( 3.835 6.753 -10.364) 12.950 8.867 ( 8.148 2.933 2.777) 9.094 9.009 ( 4.315 -0.381 3.144) 5.352 9.050 ( 4.200 7.665 -1.633) 8.892 9.164 ( 1.042 4.984 3.704) 6.296 9.270 ( -0.203 15.071 -0.978) 15.104 9.390 ( -1.667 15.836 0.492) 15.931 9.475 ( -6.398 18.035 -2.162) 19.258 10.008 ( 3.550 1.009 -0.073) 3.691 10.278 ( -1.921 2.694 -5.999) 6.851 10.394 ( -6.212 4.711 2.416) 8.162 10.665 ( 1.068 3.968 4.208) 5.882 10.693 ( 3.243 1.999 -2.638) 4.635 10.839 ( 0.556 5.251 2.387) 5.795 10.893 ( 1.430 4.791 -5.110) 7.150 11.071 ( -1.724 -4.822 -7.934) 9.443 11.189 ( -0.183 5.998 2.357) 6.447 11.356 ( -5.268 5.964 -8.669) 11.768 11.497 ( -2.266 5.449 -4.900) 7.671 11.538 ( -0.984 12.781 -4.467) 13.575 11.583 ( 1.021 2.588 -4.518) 5.305 11.620 ( 0.299 7.213 -3.425) 7.991 12.822 ( 3.587 -5.387 7.213) 9.691 12.926 ( 8.022 -3.222 4.968) 9.971 12.996 ( -3.108 -3.123 7.783) 8.944 13.110 ( -0.286 0.342 8.022) 8.034 13.352 ( 4.121 6.770 -4.265) 9.000 13.552 ( -1.067 -2.966 -2.301) 3.902 13.670 ( 3.027 -4.540 6.086) 8.174 13.932 ( -7.097 -4.280 4.273) 9.324 14.122 ( 3.833 -4.605 0.820) 6.047 14.360 ( -6.147 -0.810 -4.198) 7.488 14.626 ( 8.171 5.450 -5.456) 11.235 14.926 ( -3.478 5.015 -16.446) 17.542 15.047 ( -3.689 -0.634 -4.399) 5.776 15.070 ( -2.244 -1.546 3.723) 4.613 15.717 ( 4.994 -3.520 3.376) 6.981 15.941 ( -5.031 1.424 1.180) 5.360 16.454 ( 7.721 -6.679 -7.674) 12.772 16.555 ( 1.967 -4.497 -6.592) 8.218 17.274 ( -2.149 -3.310 4.586) 6.051 17.341 ( -3.846 -5.372 -1.407) 6.755 17.633 ( 5.810 -6.102 4.547) 9.574 17.848 ( -4.136 -4.187 1.634) 6.108 18.189 ( 1.766 -3.250 6.266) 7.277 18.261 ( -1.302 -4.257 5.192) 6.839 ======================= Grid point 97 (36/60) ======================= q-point: (-0.50 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -16.819 7.294 14.239) 23.212 1.568 ( 16.819 7.294 14.239) 23.212 1.647 ( -10.703 22.462 13.118) 28.128 1.647 ( 10.703 22.462 13.118) 28.128 2.298 ( -1.239 -1.302 1.355) 2.250 2.298 ( 1.239 -1.302 1.355) 2.250 2.453 ( -0.939 2.356 -6.939) 7.388 2.453 ( 0.939 2.356 -6.939) 7.388 2.562 ( -0.586 2.740 -7.129) 7.660 2.562 ( 0.586 2.740 -7.129) 7.660 2.796 ( -2.509 0.854 2.804) 3.858 2.796 ( 2.509 0.854 2.804) 3.858 2.835 ( -4.647 5.604 2.448) 7.681 2.835 ( 4.647 5.604 2.448) 7.681 2.986 ( -10.560 0.473 5.437) 11.887 2.986 ( 10.560 0.473 5.437) 11.887 3.234 ( -3.199 -0.504 -2.722) 4.230 3.234 ( 3.199 -0.504 -2.722) 4.230 3.319 ( -11.291 1.092 6.936) 13.296 3.319 ( 11.291 1.092 6.936) 13.296 3.511 ( -1.861 1.297 -2.762) 3.574 3.511 ( 1.861 1.297 -2.762) 3.574 3.697 ( -2.950 -2.348 2.536) 4.544 3.697 ( 2.950 -2.348 2.536) 4.544 3.876 ( -2.558 4.326 4.569) 6.792 3.876 ( 2.558 4.326 4.569) 6.792 4.055 ( -3.478 -3.382 1.551) 5.094 4.055 ( 3.478 -3.382 1.551) 5.094 4.230 ( -5.894 3.405 -1.929) 7.075 4.230 ( 5.894 3.405 -1.929) 7.075 4.403 ( -2.547 -3.283 -1.855) 4.551 4.403 ( 2.547 -3.283 -1.855) 4.551 4.649 ( -0.323 18.848 2.823) 19.061 4.649 ( 0.323 18.848 2.823) 19.061 4.852 ( -3.171 8.403 -2.564) 9.340 4.852 ( 3.171 8.403 -2.564) 9.340 4.933 ( -2.069 3.488 -2.048) 4.543 4.933 ( 2.069 3.488 -2.048) 4.543 5.110 ( -0.335 4.221 -4.947) 6.511 5.110 ( 0.335 4.221 -4.947) 6.511 5.433 ( -0.949 0.139 1.064) 1.433 5.433 ( 0.949 0.139 1.064) 1.433 5.642 ( -2.105 8.666 4.383) 9.937 5.642 ( 2.105 8.666 4.383) 9.937 5.744 ( -1.397 7.133 1.929) 7.521 5.744 ( 1.397 7.133 1.929) 7.521 6.117 ( -5.338 2.069 -5.795) 8.146 6.117 ( 5.338 2.069 -5.795) 8.146 6.826 ( -3.786 9.996 -2.553) 10.990 6.826 ( 3.786 9.996 -2.553) 10.990 7.097 ( -2.579 4.425 -0.425) 5.139 7.097 ( 2.579 4.425 -0.425) 5.139 7.315 ( -1.460 -0.561 -5.668) 5.880 7.315 ( 1.460 -0.561 -5.668) 5.880 7.560 ( -9.764 6.044 -3.114) 11.898 7.560 ( 9.764 6.044 -3.114) 11.898 7.773 ( -9.935 5.450 12.721) 17.036 7.773 ( 9.935 5.450 12.721) 17.036 8.161 ( -8.824 2.933 0.326) 9.305 8.161 ( 8.824 2.933 0.326) 9.305 8.254 ( -2.617 2.396 -1.525) 3.862 8.254 ( 2.617 2.396 -1.525) 3.862 8.867 ( -6.719 5.911 -8.998) 12.690 8.867 ( 6.719 5.911 -8.998) 12.690 9.086 ( -3.147 -0.603 5.791) 6.618 9.086 ( 3.147 -0.603 5.791) 6.618 9.239 ( -4.908 13.589 0.662) 14.464 9.239 ( 4.908 13.589 0.662) 14.464 9.365 ( -2.026 18.777 1.307) 18.931 9.365 ( 2.026 18.777 1.307) 18.931 10.145 ( -8.725 2.691 -3.709) 9.855 10.145 ( 8.725 2.691 -3.709) 9.855 10.457 ( -11.590 9.185 8.434) 17.024 10.457 ( 11.590 9.185 8.434) 17.024 10.823 ( -6.290 -2.541 -7.835) 10.364 10.823 ( 6.290 -2.541 -7.835) 10.364 11.020 ( -7.318 0.915 -6.151) 9.603 11.020 ( 7.318 0.915 -6.151) 9.603 11.209 ( -6.758 7.174 -4.549) 10.855 11.209 ( 6.758 7.174 -4.549) 10.855 11.504 ( -1.858 10.266 -2.996) 10.854 11.504 ( 1.858 10.266 -2.996) 10.854 11.609 ( -1.209 4.658 -4.026) 6.274 11.609 ( 1.209 4.658 -4.026) 6.274 12.911 ( -4.759 -5.951 9.168) 11.922 12.911 ( 4.759 -5.951 9.168) 11.922 13.061 ( -4.435 -1.737 6.307) 7.904 13.061 ( 4.435 -1.737 6.307) 7.904 13.473 ( -6.042 1.780 -4.243) 7.595 13.473 ( 6.042 1.780 -4.243) 7.595 13.781 ( -6.973 -5.359 5.326) 10.282 13.781 ( 6.973 -5.359 5.326) 10.282 14.228 ( -6.261 -3.806 -2.267) 7.670 14.228 ( 6.261 -3.806 -2.267) 7.670 14.797 ( -8.099 5.210 -11.275) 14.828 14.797 ( 8.099 5.210 -11.275) 14.828 15.027 ( -1.362 -0.212 0.963) 1.681 15.027 ( 1.362 -0.212 0.963) 1.681 15.831 ( -5.614 -1.143 1.379) 5.893 15.831 ( 5.614 -1.143 1.379) 5.893 16.564 ( -2.158 -6.531 -6.882) 9.730 16.564 ( 2.158 -6.531 -6.882) 9.730 17.270 ( -2.108 -3.861 0.983) 4.508 17.270 ( 2.108 -3.861 0.983) 4.508 17.750 ( -5.320 -4.666 3.900) 8.079 17.750 ( 5.320 -4.666 3.900) 8.079 18.227 ( -1.859 -3.784 5.941) 7.285 18.227 ( 1.859 -3.784 5.941) 7.285 ======================= Grid point 100 (37/60) ======================= q-point: ( 0.00 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 0.000 10.056 21.342) 23.592 1.714 ( 0.000 13.695 18.881) 23.324 2.158 ( 0.000 1.530 10.586) 10.696 2.254 ( 0.000 1.253 0.586) 1.383 2.301 ( 0.000 -0.158 3.708) 3.711 2.305 ( 0.000 6.362 1.773) 6.604 2.493 ( 0.000 4.909 0.238) 4.915 2.573 ( 0.000 0.701 -0.582) 0.911 2.594 ( 0.000 14.399 4.777) 15.171 2.698 ( 0.000 0.405 -4.946) 4.963 2.717 ( 0.000 12.853 -0.757) 12.875 2.737 ( 0.000 10.083 5.807) 11.636 2.848 ( 0.000 0.654 -8.576) 8.601 2.871 ( 0.000 2.084 -2.074) 2.940 3.004 ( 0.000 2.537 -2.081) 3.281 3.066 ( 0.000 1.527 2.594) 3.010 3.110 ( 0.000 1.349 2.207) 2.587 3.190 ( 0.000 2.756 -1.530) 3.152 3.309 ( 0.000 3.439 -2.676) 4.358 3.384 ( 0.000 2.781 -2.167) 3.526 3.448 ( 0.000 2.003 -3.516) 4.046 3.494 ( 0.000 -11.635 1.312) 11.709 3.727 ( 0.000 -5.864 1.837) 6.145 3.796 ( 0.000 -8.314 1.265) 8.409 3.941 ( 0.000 -5.227 -2.379) 5.743 3.960 ( 0.000 -1.534 0.318) 1.567 3.987 ( 0.000 -0.882 0.385) 0.962 4.173 ( 0.000 0.692 -1.936) 2.056 4.321 ( 0.000 8.306 2.793) 8.763 4.353 ( 0.000 -1.537 1.264) 1.990 4.379 ( 0.000 -3.755 7.109) 8.040 4.546 ( 0.000 6.948 -3.023) 7.577 4.586 ( 0.000 -0.278 -0.502) 0.574 4.709 ( 0.000 -4.175 5.098) 6.589 4.996 ( 0.000 4.805 -1.960) 5.190 4.998 ( 0.000 3.961 -5.050) 6.418 5.062 ( 0.000 17.030 2.035) 17.152 5.086 ( 0.000 12.648 -1.847) 12.782 5.263 ( 0.000 10.208 -0.008) 10.208 5.282 ( 0.000 7.685 0.866) 7.734 5.491 ( 0.000 3.618 2.645) 4.481 5.513 ( 0.000 7.459 0.047) 7.459 5.676 ( 0.000 -0.205 6.665) 6.668 5.904 ( 0.000 25.411 5.992) 26.108 5.980 ( 0.000 15.591 0.919) 15.618 6.016 ( 0.000 9.427 -1.508) 9.547 6.166 ( 0.000 14.416 -1.691) 14.515 6.300 ( 0.000 11.723 -12.060) 16.819 6.727 ( 0.000 -2.048 1.189) 2.368 7.056 ( 0.000 -1.995 -2.800) 3.438 7.142 ( 0.000 -1.307 -5.719) 5.866 7.257 ( 0.000 -1.041 -5.227) 5.329 7.285 ( 0.000 6.610 -0.958) 6.679 7.306 ( 0.000 24.518 -4.459) 24.920 7.731 ( 0.000 -1.166 -0.418) 1.239 7.755 ( 0.000 15.670 -0.126) 15.671 7.969 ( 0.000 6.809 1.495) 6.972 8.093 ( 0.000 14.981 -8.901) 17.426 8.173 ( 0.000 0.043 1.664) 1.664 8.336 ( 0.000 1.357 3.767) 4.004 8.427 ( 0.000 6.467 1.233) 6.584 8.713 ( 0.000 2.195 10.332) 10.563 8.785 ( 0.000 21.275 6.815) 22.340 8.935 ( 0.000 7.520 -10.556) 12.961 8.968 ( 0.000 2.255 4.367) 4.915 9.070 ( 0.000 -3.499 -10.550) 11.115 9.214 ( 0.000 9.880 8.001) 12.713 9.708 ( 0.000 17.428 -2.204) 17.566 9.761 ( 0.000 19.281 1.234) 19.320 9.879 ( 0.000 8.345 -8.549) 11.947 10.036 ( 0.000 20.088 2.917) 20.298 10.412 ( 0.000 8.193 -1.074) 8.263 10.531 ( 0.000 1.492 12.725) 12.812 10.591 ( 0.000 -1.094 1.685) 2.009 10.821 ( 0.000 13.572 0.509) 13.582 10.887 ( 0.000 8.187 0.174) 8.189 11.083 ( 0.000 3.598 -9.216) 9.893 11.245 ( 0.000 16.588 -1.239) 16.635 11.354 ( 0.000 13.922 10.767) 17.599 11.504 ( 0.000 4.073 -13.369) 13.975 11.619 ( 0.000 3.762 -4.640) 5.974 11.717 ( 0.000 14.143 -4.288) 14.779 11.810 ( 0.000 13.401 -5.155) 14.358 11.879 ( 0.000 17.720 -4.526) 18.289 12.743 ( 0.000 -4.586 5.475) 7.142 12.800 ( 0.000 3.473 0.246) 3.482 13.024 ( 0.000 -4.177 10.250) 11.068 13.056 ( 0.000 -3.877 5.817) 6.991 13.349 ( 0.000 -4.975 -1.233) 5.126 13.415 ( 0.000 -4.328 -4.021) 5.908 13.576 ( 0.000 -6.322 6.759) 9.255 13.920 ( 0.000 -9.804 -0.534) 9.819 14.023 ( 0.000 3.558 -5.902) 6.892 14.473 ( 0.000 -1.396 -13.133) 13.207 14.632 ( 0.000 8.570 8.086) 11.782 15.003 ( 0.000 -4.693 -5.726) 7.404 15.062 ( 0.000 -1.430 -0.017) 1.431 15.123 ( 0.000 8.006 -12.542) 14.879 15.531 ( 0.000 -7.267 6.794) 9.949 16.115 ( 0.000 6.443 -6.789) 9.359 16.150 ( 0.000 -12.416 -6.228) 13.891 16.431 ( 0.000 -6.337 -7.478) 9.802 17.170 ( 0.000 -14.783 -1.544) 14.863 17.218 ( 0.000 -8.847 -2.016) 9.074 17.418 ( 0.000 -4.231 12.347) 13.052 17.808 ( 0.000 -3.895 1.858) 4.315 18.087 ( 0.000 -5.148 7.077) 8.752 18.155 ( 0.000 -7.649 5.959) 9.697 ======================= Grid point 101 (38/60) ======================= q-point: ( 0.25 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 4.591 11.420 18.518) 22.235 1.863 ( 10.059 13.872 13.664) 21.916 2.040 ( -12.123 6.402 8.979) 16.389 2.205 ( -4.846 6.768 4.504) 9.465 2.262 ( 0.296 3.377 2.943) 4.489 2.314 ( -1.268 3.020 2.839) 4.335 2.457 ( -3.076 -0.592 -2.632) 4.092 2.527 ( -6.516 0.363 -4.576) 7.971 2.558 ( 0.040 0.447 -4.244) 4.268 2.691 ( -2.586 0.903 -5.549) 6.188 2.747 ( 7.089 6.300 1.296) 9.572 2.840 ( 7.116 13.342 8.965) 17.579 2.860 ( 4.924 9.734 1.270) 10.982 2.935 ( 1.280 1.145 -5.156) 5.435 3.016 ( 2.360 -1.098 0.703) 2.696 3.099 ( -1.296 2.458 2.106) 3.487 3.100 ( 2.992 6.737 2.114) 7.668 3.215 ( -1.516 3.656 2.260) 4.558 3.312 ( -0.756 -2.040 -2.520) 3.329 3.392 ( 5.119 0.992 -2.000) 5.584 3.446 ( -0.623 -2.848 -1.406) 3.236 3.554 ( 3.622 -2.690 1.042) 4.630 3.685 ( -2.036 -3.444 -0.189) 4.005 3.857 ( -3.392 -5.921 -2.485) 7.262 3.882 ( 2.820 -4.316 4.203) 6.652 3.946 ( -5.147 3.298 2.409) 6.570 3.988 ( 0.080 -3.290 -2.362) 4.051 3.997 ( -13.670 0.361 11.028) 17.568 4.149 ( -2.705 -3.544 -0.844) 4.537 4.329 ( -6.225 -5.610 -2.035) 8.623 4.440 ( -0.619 1.501 1.644) 2.310 4.465 ( 0.516 10.999 -4.034) 11.727 4.703 ( 8.830 1.300 2.140) 9.178 4.894 ( 9.202 -0.960 -1.432) 9.362 4.989 ( -2.560 5.396 -4.022) 7.201 5.006 ( 0.369 3.286 -3.971) 5.168 5.060 ( 1.311 13.199 0.845) 13.290 5.087 ( 0.779 13.393 1.402) 13.489 5.249 ( -1.116 10.444 0.002) 10.504 5.278 ( -0.777 6.350 0.349) 6.407 5.463 ( -0.095 4.659 3.168) 5.635 5.529 ( -0.758 6.009 3.009) 6.763 5.744 ( 5.830 1.096 4.013) 7.162 5.911 ( 0.803 21.827 4.663) 22.334 5.951 ( -2.566 14.556 1.388) 14.845 5.999 ( -1.711 12.848 0.196) 12.962 6.180 ( 1.353 13.554 -2.443) 13.839 6.282 ( -2.051 12.236 -8.426) 14.998 6.773 ( 5.077 -0.555 -3.412) 6.142 7.011 ( -3.570 -0.262 -3.392) 4.932 7.160 ( 1.443 -0.992 -6.322) 6.560 7.256 ( -1.326 -1.365 -7.906) 8.131 7.308 ( 2.811 7.873 -2.683) 8.780 7.385 ( 4.980 17.461 -1.748) 18.241 7.708 ( -0.651 7.101 -1.645) 7.318 7.775 ( 0.003 9.215 1.155) 9.287 7.894 ( -9.357 6.162 -4.277) 11.993 8.018 ( -1.575 7.214 6.444) 9.800 8.077 ( -2.291 4.760 2.120) 5.692 8.306 ( 0.998 4.514 4.351) 6.348 8.461 ( -4.369 7.009 -0.040) 8.260 8.621 ( -12.233 15.614 5.941) 20.706 8.854 ( 4.897 3.454 -5.117) 7.880 8.938 ( 5.749 8.505 -3.404) 10.815 9.016 ( 5.413 2.810 2.382) 6.547 9.097 ( 1.688 -1.042 1.186) 2.311 9.330 ( 7.557 10.802 6.709) 14.792 9.679 ( -3.132 20.736 0.502) 20.977 9.777 ( 1.915 21.735 0.231) 21.821 9.933 ( -0.060 21.471 -5.595) 22.188 10.083 ( 8.681 10.718 -0.559) 13.804 10.361 ( -4.938 4.726 -3.316) 7.597 10.525 ( -2.732 7.716 3.220) 8.796 10.714 ( 12.812 1.773 5.956) 14.240 10.825 ( 0.079 9.121 -1.595) 9.260 10.871 ( -1.814 3.983 -2.870) 5.234 11.033 ( -7.561 5.951 -0.150) 9.623 11.149 ( -1.981 13.497 -7.595) 15.614 11.345 ( -3.470 9.731 -0.998) 10.379 11.549 ( 1.374 12.160 -1.699) 12.355 11.606 ( -4.454 7.568 -5.594) 10.412 11.635 ( 1.040 4.803 -2.749) 5.630 11.854 ( 1.596 17.360 -5.600) 18.311 11.876 ( -0.202 17.952 -4.340) 18.471 12.730 ( 0.488 -4.182 5.543) 6.961 12.883 ( 5.568 -1.121 2.822) 6.342 12.906 ( -6.918 -5.896 8.126) 12.192 13.066 ( -2.102 -5.858 7.727) 9.922 13.382 ( 3.011 -4.954 -1.147) 5.909 13.485 ( 3.982 -2.427 -4.535) 6.505 13.563 ( 0.614 -6.614 6.329) 9.175 13.851 ( -6.463 -5.103 -1.837) 8.437 14.046 ( 3.015 -0.632 -4.488) 5.444 14.336 ( -9.376 -1.614 -8.029) 12.449 14.742 ( 7.197 6.160 3.323) 10.039 14.991 ( -2.044 -4.779 -3.521) 6.278 15.033 ( -2.123 3.012 0.903) 3.794 15.076 ( -2.850 3.909 -11.473) 12.451 15.634 ( 8.234 -3.941 2.728) 9.527 15.972 ( -7.544 0.487 -4.780) 8.944 16.289 ( 6.604 -8.507 -6.652) 12.658 16.428 ( -0.604 -8.078 -7.090) 10.765 17.143 ( -1.137 -10.795 -0.089) 10.855 17.197 ( -2.042 -9.093 -3.170) 9.843 17.504 ( 6.766 -5.236 9.823) 13.026 17.762 ( -4.184 -3.912 3.704) 6.821 18.098 ( 0.966 -5.786 6.889) 9.048 18.145 ( -0.870 -7.387 6.233) 9.704 ======================= Grid point 102 (39/60) ======================= q-point: (-0.50 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( -15.095 9.997 11.401) 21.396 1.731 ( 15.095 9.997 11.401) 21.396 2.060 ( -8.669 15.183 8.363) 19.381 2.060 ( 8.669 15.183 8.363) 19.381 2.290 ( -1.448 0.691 3.129) 3.517 2.290 ( 1.448 0.691 3.129) 3.517 2.426 ( -1.554 -2.304 -6.113) 6.715 2.426 ( 1.554 -2.304 -6.113) 6.715 2.616 ( -3.963 0.666 -4.063) 5.715 2.616 ( 3.963 0.666 -4.063) 5.715 2.868 ( -3.082 4.990 -0.814) 5.921 2.868 ( 3.082 4.990 -0.814) 5.921 2.942 ( -0.360 2.585 -1.651) 3.088 2.942 ( 0.360 2.585 -1.651) 3.088 3.086 ( -1.463 10.390 3.791) 11.157 3.086 ( 1.463 10.390 3.791) 11.157 3.189 ( -9.796 -4.448 2.314) 11.005 3.189 ( 9.796 -4.448 2.314) 11.005 3.323 ( -10.245 0.798 5.462) 11.638 3.323 ( 10.245 0.798 5.462) 11.638 3.571 ( -8.468 4.102 2.859) 9.834 3.571 ( 8.468 4.102 2.859) 9.834 3.662 ( -7.967 0.079 0.664) 7.995 3.662 ( 7.967 0.079 0.664) 7.995 3.882 ( -3.661 -1.684 1.633) 4.348 3.882 ( 3.661 -1.684 1.633) 4.348 3.973 ( -3.539 -5.078 0.137) 6.191 3.973 ( 3.539 -5.078 0.137) 6.191 4.176 ( -6.109 -6.856 -0.929) 9.230 4.176 ( 6.109 -6.856 -0.929) 9.230 4.461 ( -1.184 7.244 -1.260) 7.447 4.461 ( 1.184 7.244 -1.260) 7.447 4.873 ( -7.490 3.858 -1.688) 8.593 4.873 ( 7.490 3.858 -1.688) 8.593 4.999 ( -1.732 3.126 -4.952) 6.107 4.999 ( 1.732 3.126 -4.952) 6.107 5.104 ( -0.451 12.183 1.471) 12.280 5.104 ( 0.451 12.183 1.471) 12.280 5.246 ( -1.546 6.354 0.344) 6.548 5.246 ( 1.546 6.354 0.344) 6.548 5.492 ( -2.290 5.064 4.164) 6.944 5.492 ( 2.290 5.064 4.164) 6.944 5.866 ( -5.171 5.257 1.643) 7.555 5.866 ( 5.171 5.257 1.643) 7.555 5.952 ( -2.425 19.822 3.293) 20.239 5.952 ( 2.425 19.822 3.293) 20.239 6.224 ( -2.931 12.826 -4.365) 13.861 6.224 ( 2.931 12.826 -4.365) 13.861 6.909 ( -6.600 0.495 -5.634) 8.692 6.909 ( 6.600 0.495 -5.634) 8.692 7.205 ( -2.910 0.412 -8.014) 8.536 7.205 ( 2.910 0.412 -8.014) 8.536 7.390 ( -3.977 7.713 -4.649) 9.845 7.390 ( 3.977 7.713 -4.649) 9.845 7.720 ( -2.322 9.791 -0.705) 10.087 7.720 ( 2.322 9.791 -0.705) 10.087 7.880 ( -5.011 3.729 7.363) 9.655 7.880 ( 5.011 3.729 7.363) 9.655 8.250 ( -11.790 6.917 -1.000) 13.706 8.250 ( 11.790 6.917 -1.000) 13.706 8.397 ( -8.117 12.856 6.307) 16.460 8.397 ( 8.117 12.856 6.307) 16.460 8.973 ( -2.231 0.907 -2.096) 3.193 8.973 ( 2.231 0.907 -2.096) 3.193 9.086 ( -5.329 5.787 -0.979) 7.927 9.086 ( 5.329 5.787 -0.979) 7.927 9.547 ( -10.682 15.534 5.589) 19.663 9.547 ( 10.682 15.534 5.589) 19.663 9.849 ( -5.264 26.226 0.778) 26.760 9.849 ( 5.264 26.226 0.778) 26.760 10.259 ( -5.167 8.990 -6.259) 12.112 10.259 ( 5.167 8.990 -6.259) 12.112 10.627 ( -13.015 5.805 -0.551) 14.262 10.627 ( 13.015 5.805 -0.551) 14.262 10.879 ( -1.310 8.867 4.126) 9.867 10.879 ( 1.310 8.867 4.126) 9.867 11.038 ( -9.297 2.693 -10.210) 14.069 11.038 ( 9.297 2.693 -10.210) 14.069 11.398 ( -8.477 11.732 -1.141) 14.519 11.398 ( 8.477 11.732 -1.141) 14.519 11.643 ( -1.202 6.115 -2.407) 6.681 11.643 ( 1.202 6.115 -2.407) 6.681 11.871 ( -0.355 19.208 -5.212) 19.906 11.871 ( 0.355 19.208 -5.212) 19.906 12.781 ( -4.613 -6.883 7.986) 11.508 12.781 ( 4.613 -6.883 7.986) 11.508 12.992 ( -4.701 -4.954 5.473) 8.752 12.992 ( 4.701 -4.954 5.473) 8.752 13.456 ( -3.774 -5.769 -0.194) 6.897 13.456 ( 3.774 -5.769 -0.194) 6.897 13.690 ( -8.418 -2.466 -0.784) 8.806 13.690 ( 8.418 -2.466 -0.784) 8.806 14.155 ( -7.490 -2.786 -5.569) 9.740 14.155 ( 7.490 -2.786 -5.569) 9.740 14.887 ( -6.668 2.965 1.713) 7.496 14.887 ( 6.668 2.965 1.713) 7.496 15.032 ( -1.382 1.210 -6.205) 6.471 15.032 ( 1.382 1.210 -6.205) 6.471 15.811 ( -8.364 -0.615 -1.757) 8.568 15.811 ( 8.364 -0.615 -1.757) 8.568 16.391 ( -3.295 -10.148 -6.397) 12.440 16.391 ( 3.295 -10.148 -6.397) 12.440 17.151 ( -1.838 -8.449 -1.890) 8.850 17.151 ( 1.838 -8.449 -1.890) 8.850 17.648 ( -6.668 -4.745 6.661) 10.552 17.648 ( 6.668 -4.745 6.661) 10.552 18.122 ( -1.256 -6.725 6.689) 9.568 18.122 ( 1.256 -6.725 6.689) 9.568 ======================= Grid point 105 (40/60) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 0.000 12.077 14.830) 19.125 1.960 ( 0.000 11.788 15.345) 19.350 2.163 ( 0.000 -1.187 7.194) 7.291 2.278 ( 0.000 1.624 3.109) 3.508 2.302 ( 0.000 0.377 2.943) 2.967 2.386 ( 0.000 2.723 0.189) 2.730 2.528 ( 0.000 -1.107 2.323) 2.573 2.606 ( 0.000 -1.328 -1.850) 2.277 2.628 ( 0.000 4.918 -0.941) 5.007 2.706 ( 0.000 -2.905 0.236) 2.914 2.809 ( 0.000 -3.160 -0.068) 3.161 2.848 ( 0.000 3.077 -0.526) 3.121 2.851 ( 0.000 0.082 0.420) 0.428 2.919 ( 0.000 -0.545 2.345) 2.407 3.096 ( 0.000 7.291 -6.422) 9.716 3.138 ( 0.000 -6.895 4.489) 8.228 3.205 ( 0.000 2.767 -6.657) 7.210 3.299 ( 0.000 0.394 -1.598) 1.646 3.318 ( 0.000 1.828 1.983) 2.698 3.391 ( 0.000 1.880 0.788) 2.038 3.441 ( 0.000 5.740 0.444) 5.758 3.595 ( 0.000 11.333 -0.562) 11.347 3.596 ( 0.000 -5.662 -3.438) 6.624 3.615 ( 0.000 -6.496 0.672) 6.530 3.878 ( 0.000 2.627 -0.845) 2.760 3.883 ( 0.000 -5.805 2.098) 6.172 3.970 ( 0.000 -0.530 1.682) 1.764 4.222 ( 0.000 3.189 -6.232) 7.000 4.274 ( 0.000 0.071 2.030) 2.031 4.426 ( 0.000 3.217 3.511) 4.762 4.457 ( 0.000 5.969 7.286) 9.419 4.568 ( 0.000 -1.111 -0.667) 1.296 4.598 ( 0.000 -2.575 5.423) 6.003 4.741 ( 0.000 7.177 -4.742) 8.602 5.039 ( 0.000 1.615 -4.482) 4.764 5.047 ( 0.000 2.026 -5.896) 6.235 5.272 ( 0.000 6.019 -1.186) 6.134 5.298 ( 0.000 7.504 2.370) 7.869 5.353 ( 0.000 1.756 3.737) 4.129 5.395 ( 0.000 3.456 0.744) 3.535 5.554 ( 0.000 2.163 3.377) 4.010 5.601 ( 0.000 -5.313 5.323) 7.520 5.635 ( 0.000 2.633 1.005) 2.818 5.898 ( 0.000 -12.872 -1.205) 12.928 6.345 ( 0.000 19.689 3.792) 20.051 6.473 ( 0.000 26.784 3.115) 26.964 6.609 ( 0.000 22.587 -0.236) 22.589 6.677 ( 0.000 13.850 1.782) 13.964 6.732 ( 0.000 9.525 -9.501) 13.454 7.026 ( 0.000 -0.501 -3.729) 3.763 7.113 ( 0.000 -1.281 -5.311) 5.463 7.190 ( 0.000 -2.976 -6.878) 7.494 7.398 ( 0.000 4.802 -2.951) 5.636 7.547 ( 0.000 1.251 -10.148) 10.225 7.690 ( 0.000 -3.430 2.792) 4.423 7.869 ( 0.000 -2.823 -1.750) 3.321 8.155 ( 0.000 7.896 1.496) 8.037 8.183 ( 0.000 1.463 -2.462) 2.864 8.412 ( 0.000 5.816 -3.681) 6.883 8.470 ( 0.000 15.207 -1.985) 15.336 8.529 ( 0.000 3.452 6.172) 7.072 8.876 ( 0.000 14.455 9.118) 17.090 8.936 ( 0.000 -6.065 -10.330) 11.979 9.031 ( 0.000 3.549 -0.271) 3.559 9.031 ( 0.000 6.608 1.877) 6.869 9.220 ( 0.000 13.887 1.545) 13.973 9.416 ( 0.000 11.365 9.276) 14.670 9.802 ( 0.000 5.243 -2.848) 5.966 10.111 ( 0.000 3.458 -0.244) 3.467 10.115 ( 0.000 15.619 4.391) 16.225 10.436 ( 0.000 -4.657 9.735) 10.791 10.453 ( 0.000 11.820 -5.676) 13.112 10.654 ( 0.000 10.196 8.203) 13.086 10.657 ( 0.000 14.912 4.570) 15.597 11.119 ( 0.000 12.521 1.434) 12.603 11.164 ( 0.000 10.059 -7.716) 12.678 11.205 ( 0.000 16.490 -4.683) 17.142 11.571 ( 0.000 6.863 -6.821) 9.676 11.622 ( 0.000 19.201 -7.717) 20.693 11.659 ( 0.000 13.081 -0.332) 13.086 11.765 ( 0.000 11.953 -2.083) 12.134 12.025 ( 0.000 7.963 -0.996) 8.025 12.094 ( 0.000 23.391 -0.948) 23.410 12.299 ( 0.000 23.536 -2.573) 23.676 12.650 ( 0.000 -4.541 3.111) 5.504 12.858 ( 0.000 -14.377 7.950) 16.429 12.864 ( 0.000 1.137 -4.987) 5.115 12.915 ( 0.000 -6.517 4.227) 7.768 13.177 ( 0.000 -9.998 1.960) 10.188 13.401 ( 0.000 -10.764 9.426) 14.308 13.410 ( 0.000 1.217 -3.182) 3.407 13.693 ( 0.000 -12.983 -1.392) 13.057 14.150 ( 0.000 8.654 -9.456) 12.819 14.439 ( 0.000 -1.243 -15.651) 15.701 14.777 ( 0.000 3.223 4.887) 5.854 14.849 ( 0.000 -10.175 -7.292) 12.518 15.054 ( 0.000 2.562 -1.278) 2.863 15.326 ( 0.000 11.342 -6.035) 12.848 15.429 ( 0.000 -1.263 9.135) 9.222 15.865 ( 0.000 -16.055 -2.252) 16.212 16.235 ( 0.000 4.420 -12.698) 13.445 16.280 ( 0.000 -8.932 -7.375) 11.583 16.850 ( 0.000 -15.756 -1.913) 15.872 16.989 ( 0.000 -12.307 -7.002) 14.160 17.417 ( 0.000 3.454 14.699) 15.099 17.756 ( 0.000 -1.248 4.220) 4.401 17.970 ( 0.000 -6.461 7.207) 9.679 17.975 ( 0.000 -10.431 7.590) 12.900 ======================= Grid point 106 (41/60) ======================= q-point: ( 0.25 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 4.842 13.155 11.897) 18.386 2.062 ( 6.118 7.548 9.833) 13.823 2.162 ( -1.174 3.383 10.238) 10.846 2.216 ( -3.326 1.450 1.131) 3.800 2.308 ( 0.763 1.260 3.261) 3.578 2.417 ( 0.727 2.590 2.036) 3.373 2.442 ( -5.608 0.897 -0.313) 5.688 2.522 ( -9.040 0.289 -3.575) 9.726 2.613 ( -0.683 4.289 0.125) 4.345 2.676 ( -2.063 1.686 -0.756) 2.770 2.811 ( 6.839 -3.059 1.910) 7.731 2.845 ( 1.993 -6.524 2.593) 7.298 2.902 ( -0.418 -3.201 0.392) 3.252 2.978 ( 3.230 1.695 0.943) 3.768 3.049 ( -2.755 1.249 -4.183) 5.162 3.157 ( 0.132 -2.425 2.421) 3.429 3.221 ( -3.956 -0.070 0.447) 3.982 3.288 ( -0.459 3.008 0.112) 3.045 3.314 ( 3.487 1.282 -1.696) 4.084 3.414 ( -1.102 5.708 -0.916) 5.885 3.489 ( 6.814 0.680 -0.848) 6.900 3.585 ( 0.774 1.265 -3.252) 3.575 3.648 ( 3.835 6.334 2.264) 7.743 3.695 ( 4.669 -8.541 -3.246) 10.261 3.807 ( -2.040 -3.606 3.693) 5.550 3.909 ( -1.497 3.338 -0.263) 3.667 3.958 ( -0.419 -3.689 1.856) 4.151 4.087 ( -7.821 0.866 -2.768) 8.342 4.194 ( -10.780 14.670 9.614) 20.588 4.233 ( -8.548 -2.852 0.095) 9.011 4.490 ( 4.496 4.087 1.900) 6.366 4.665 ( 4.747 5.955 -1.816) 7.829 4.731 ( 3.555 2.877 -1.358) 4.771 4.849 ( 11.739 -3.199 -1.022) 12.210 5.038 ( -1.345 1.339 -4.876) 5.232 5.057 ( 0.130 2.454 -6.102) 6.578 5.227 ( -2.425 5.333 1.283) 5.997 5.306 ( 0.584 4.875 2.067) 5.327 5.325 ( -2.759 2.558 3.041) 4.837 5.378 ( -1.527 3.083 0.925) 3.563 5.540 ( -0.251 2.205 3.813) 4.412 5.585 ( -0.990 -0.692 4.798) 4.948 5.707 ( 4.914 -3.091 0.563) 5.832 5.874 ( -2.326 -11.019 -1.330) 11.340 6.373 ( 2.328 20.299 4.565) 20.936 6.454 ( -1.496 25.032 3.576) 25.330 6.608 ( -0.226 22.767 0.200) 22.769 6.646 ( -2.417 17.182 0.137) 17.352 6.798 ( 5.903 6.027 -8.134) 11.719 7.004 ( -2.204 0.602 -4.424) 4.979 7.130 ( 1.756 -1.416 -5.730) 6.158 7.206 ( 0.534 -1.950 -7.020) 7.305 7.407 ( 1.239 3.538 -3.688) 5.258 7.547 ( -1.437 0.251 -5.320) 5.516 7.702 ( 1.902 -4.515 -1.989) 5.287 7.849 ( -2.229 -4.083 -2.518) 5.289 8.035 ( -7.453 7.574 -1.239) 10.698 8.191 ( -0.335 6.006 -0.948) 6.089 8.236 ( -8.955 8.832 4.848) 13.480 8.487 ( 0.395 8.383 3.943) 9.272 8.610 ( 4.316 7.030 -3.103) 8.813 8.794 ( -4.759 2.938 -5.257) 7.676 8.911 ( -4.734 4.221 4.534) 7.797 9.006 ( -1.340 -2.097 1.767) 3.052 9.197 ( 14.560 16.358 5.909) 22.682 9.281 ( 2.931 17.290 -0.908) 17.560 9.535 ( 9.538 9.928 9.145) 16.528 9.935 ( 3.860 5.972 -2.204) 7.445 10.089 ( 5.198 7.959 1.878) 9.690 10.207 ( 7.002 10.183 -4.648) 13.203 10.397 ( -8.573 9.423 5.248) 13.778 10.515 ( 2.854 8.948 -2.572) 9.738 10.595 ( 7.868 2.570 4.666) 9.502 10.786 ( 4.591 9.948 -0.674) 10.977 11.022 ( -6.971 7.030 -0.421) 9.910 11.115 ( -3.458 10.929 -1.557) 11.568 11.177 ( -4.404 17.533 -2.437) 18.241 11.456 ( -10.187 12.199 -10.312) 18.945 11.581 ( 1.998 17.763 0.574) 17.884 11.735 ( 2.428 8.230 -6.887) 11.003 11.809 ( 2.584 13.805 0.507) 14.054 11.891 ( -6.476 17.122 0.701) 18.319 12.198 ( 4.216 17.795 -1.880) 18.384 12.295 ( -0.544 22.363 -0.431) 22.374 12.637 ( -0.769 -5.412 2.284) 5.924 12.758 ( -7.895 -9.223 6.398) 13.724 12.879 ( 0.704 -3.117 -1.360) 3.473 12.899 ( -0.263 -5.697 2.981) 6.435 13.188 ( 1.568 -12.447 2.758) 12.845 13.343 ( -4.415 -12.327 5.911) 14.366 13.505 ( 6.196 -1.669 -1.969) 6.712 13.671 ( -2.039 -12.488 -1.839) 12.786 14.137 ( -0.380 8.371 -9.286) 12.507 14.322 ( -8.542 1.593 -11.576) 14.474 14.824 ( 2.749 -0.976 -0.221) 2.926 14.854 ( 0.369 -9.349 -6.623) 11.463 15.068 ( 1.498 4.871 0.611) 5.132 15.214 ( -5.520 8.530 2.511) 10.466 15.606 ( 10.521 1.222 -0.405) 10.600 15.854 ( -1.418 -12.772 -3.004) 13.196 16.222 ( -0.589 -0.976 -9.080) 9.151 16.271 ( -1.268 -3.850 -7.483) 8.510 16.875 ( 2.263 -15.302 -3.504) 15.861 16.975 ( -1.445 -12.665 -7.023) 14.554 17.473 ( 5.030 2.127 13.076) 14.171 17.712 ( -4.188 -0.925 5.801) 7.214 17.965 ( -0.107 -8.159 7.784) 11.277 17.976 ( -0.184 -8.921 7.303) 11.530 ======================= Grid point 107 (42/60) ======================= q-point: (-0.50 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( -11.566 10.948 6.639) 17.255 1.945 ( 11.566 10.948 6.639) 17.255 2.213 ( -1.858 1.967 5.982) 6.566 2.213 ( 1.858 1.967 5.982) 6.566 2.322 ( -2.605 1.627 2.246) 3.805 2.322 ( 2.605 1.627 2.246) 3.805 2.426 ( -2.312 3.098 -0.600) 3.912 2.426 ( 2.312 3.098 -0.600) 3.912 2.632 ( -2.189 1.854 -0.564) 2.923 2.632 ( 2.189 1.854 -0.564) 2.923 2.872 ( -1.507 -3.593 2.815) 4.807 2.872 ( 1.507 -3.593 2.815) 4.807 2.982 ( -5.119 -3.487 -5.048) 7.990 2.982 ( 5.119 -3.487 -5.048) 7.990 3.057 ( -6.239 -3.400 5.082) 8.736 3.057 ( 6.239 -3.400 5.082) 8.736 3.228 ( -3.545 2.425 2.468) 4.954 3.228 ( 3.545 2.425 2.468) 4.954 3.395 ( -2.149 4.916 -3.106) 6.200 3.395 ( 2.149 4.916 -3.106) 6.200 3.580 ( -2.721 -2.096 -1.261) 3.659 3.580 ( 2.721 -2.096 -1.261) 3.659 3.735 ( -2.379 0.401 0.526) 2.469 3.735 ( 2.379 0.401 0.526) 2.469 3.838 ( -1.290 -3.897 0.826) 4.187 3.838 ( 1.290 -3.897 0.826) 4.187 3.970 ( -1.171 4.607 1.836) 5.096 3.970 ( 1.171 4.607 1.836) 5.096 4.090 ( -2.450 6.156 3.921) 7.699 4.090 ( 2.450 6.156 3.921) 7.699 4.606 ( -5.500 6.616 -1.111) 8.675 4.606 ( 5.500 6.616 -1.111) 8.675 4.918 ( -9.288 1.226 -2.662) 9.740 4.918 ( 9.288 1.226 -2.662) 9.740 5.025 ( -4.470 -0.171 -5.550) 7.129 5.025 ( 4.470 -0.171 -5.550) 7.129 5.245 ( -3.687 2.154 3.366) 5.438 5.245 ( 3.687 2.154 3.366) 5.438 5.337 ( -2.139 4.204 1.188) 4.864 5.337 ( 2.139 4.204 1.188) 4.864 5.557 ( -1.521 1.256 4.457) 4.874 5.557 ( 1.521 1.256 4.457) 4.874 5.805 ( -4.281 -7.414 -0.810) 8.599 5.805 ( 4.281 -7.414 -0.810) 8.599 6.420 ( -1.918 22.287 4.769) 22.872 6.420 ( 1.918 22.287 4.769) 22.872 6.609 ( -0.793 20.838 0.104) 20.853 6.609 ( 0.793 20.838 0.104) 20.853 6.927 ( -5.473 2.775 -6.379) 8.851 6.927 ( 5.473 2.775 -6.379) 8.851 7.181 ( -2.710 -1.142 -6.724) 7.339 7.181 ( 2.710 -1.142 -6.724) 7.339 7.468 ( -4.624 0.798 -4.309) 6.371 7.468 ( 4.624 0.798 -4.309) 6.371 7.776 ( -4.374 -5.216 -5.019) 8.457 7.776 ( 4.374 -5.216 -5.019) 8.457 8.008 ( -5.269 10.127 4.627) 12.318 8.008 ( 5.269 10.127 4.627) 12.318 8.358 ( -9.473 2.317 -1.472) 9.863 8.358 ( 9.473 2.317 -1.472) 9.863 8.707 ( -6.889 13.897 3.359) 15.870 8.707 ( 6.889 13.897 3.359) 15.870 8.939 ( -5.284 -1.953 2.531) 6.176 8.939 ( 5.284 -1.953 2.531) 6.176 9.322 ( -0.610 16.615 -0.946) 16.653 9.322 ( 0.610 16.615 -0.946) 16.653 9.813 ( -13.998 10.369 8.688) 19.466 9.813 ( 13.998 10.369 8.688) 19.466 10.199 ( -7.690 8.640 2.311) 11.795 10.199 ( 7.690 8.640 2.311) 11.795 10.482 ( -10.259 9.917 -11.945) 18.609 10.482 ( 10.259 9.917 -11.945) 18.609 10.765 ( -5.581 9.184 -2.418) 11.015 10.765 ( 5.581 9.184 -2.418) 11.015 10.980 ( -6.283 0.936 1.759) 6.591 10.980 ( 6.283 0.936 1.759) 6.591 11.229 ( -9.789 16.455 -1.328) 19.193 11.229 ( 9.789 16.455 -1.328) 19.193 11.689 ( -6.545 15.733 -3.534) 17.403 11.689 ( 6.545 15.733 -3.534) 17.403 11.832 ( -0.792 15.115 0.702) 15.152 11.832 ( 0.792 15.115 0.702) 15.152 12.261 ( -2.620 18.115 -0.875) 18.324 12.261 ( 2.620 18.115 -0.875) 18.324 12.644 ( -2.351 -7.413 4.246) 8.860 12.644 ( 2.351 -7.413 4.246) 8.860 12.892 ( -0.665 -3.324 1.488) 3.702 12.892 ( 0.665 -3.324 1.488) 3.702 13.247 ( -4.146 -14.212 3.768) 15.277 13.247 ( 4.146 -14.212 3.768) 15.277 13.612 ( -3.871 -8.254 -2.750) 9.523 13.612 ( 3.871 -8.254 -2.750) 9.523 14.175 ( -4.690 6.089 -9.069) 11.888 14.175 ( 4.690 6.089 -9.069) 11.888 14.856 ( -0.470 -6.736 -5.006) 8.406 14.856 ( 0.470 -6.736 -5.006) 8.406 15.121 ( -3.629 8.280 3.574) 9.722 15.121 ( 3.629 8.280 3.574) 9.722 15.783 ( -6.032 -4.378 -3.542) 8.252 15.783 ( 6.032 -4.378 -3.542) 8.252 16.233 ( -1.725 -2.875 -6.390) 7.216 16.233 ( 1.725 -2.875 -6.390) 7.216 16.930 ( -2.762 -13.842 -6.035) 15.351 16.930 ( 2.762 -13.842 -6.035) 15.351 17.597 ( -6.443 0.092 9.412) 11.406 17.597 ( 6.443 0.092 9.412) 11.406 17.969 ( -0.384 -8.605 7.687) 11.545 17.969 ( 0.384 -8.605 7.687) 11.545 ======================= Grid point 110 (43/60) ======================= q-point: ( 0.00 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 0.000 10.060 8.224) 12.994 2.103 ( 0.000 -4.443 6.208) 7.635 2.170 ( 0.000 8.082 7.789) 11.224 2.275 ( 0.000 -2.535 4.605) 5.257 2.350 ( 0.000 4.304 4.653) 6.338 2.413 ( 0.000 -0.511 2.728) 2.775 2.512 ( 0.000 0.433 3.181) 3.210 2.577 ( 0.000 -6.290 3.714) 7.304 2.647 ( 0.000 4.121 -0.486) 4.149 2.701 ( 0.000 1.503 0.091) 1.505 2.741 ( 0.000 -1.936 7.090) 7.349 2.794 ( 0.000 -6.985 4.901) 8.533 2.893 ( 0.000 2.846 0.067) 2.847 2.963 ( 0.000 -4.170 3.996) 5.775 2.992 ( 0.000 5.207 1.037) 5.309 3.141 ( 0.000 -6.707 -0.988) 6.780 3.246 ( 0.000 1.749 -8.046) 8.234 3.253 ( 0.000 1.201 -7.089) 7.190 3.383 ( 0.000 0.953 -3.717) 3.837 3.434 ( 0.000 1.769 -3.760) 4.155 3.452 ( 0.000 -4.165 -3.660) 5.545 3.502 ( 0.000 0.053 -1.325) 1.326 3.588 ( 0.000 3.487 -3.615) 5.022 3.656 ( 0.000 -2.977 -2.888) 4.147 3.790 ( 0.000 -1.331 3.439) 3.688 3.848 ( 0.000 -5.083 3.787) 6.338 4.163 ( 0.000 7.973 -4.934) 9.377 4.246 ( 0.000 -1.508 -6.526) 6.698 4.441 ( 0.000 14.231 8.259) 16.454 4.466 ( 0.000 1.643 3.454) 3.824 4.518 ( 0.000 0.451 1.615) 1.677 4.579 ( 0.000 -0.174 7.377) 7.379 4.602 ( 0.000 6.172 3.752) 7.223 4.790 ( 0.000 -5.066 -1.847) 5.392 5.068 ( 0.000 1.243 -4.708) 4.869 5.079 ( 0.000 0.671 -5.301) 5.344 5.334 ( 0.000 1.726 1.956) 2.609 5.389 ( 0.000 -0.158 1.515) 1.523 5.392 ( 0.000 2.306 0.064) 2.307 5.418 ( 0.000 -0.981 -0.076) 0.984 5.515 ( 0.000 1.306 3.115) 3.378 5.595 ( 0.000 1.448 2.688) 3.053 5.631 ( 0.000 -1.918 1.448) 2.403 5.646 ( 0.000 -10.672 0.787) 10.701 6.635 ( 0.000 8.789 2.748) 9.209 6.713 ( 0.000 -0.465 1.658) 1.722 6.858 ( 0.000 9.385 2.519) 9.717 6.887 ( 0.000 4.595 1.651) 4.882 7.057 ( 0.000 7.184 -4.288) 8.367 7.101 ( 0.000 10.691 -7.925) 13.308 7.112 ( 0.000 0.827 -4.615) 4.689 7.164 ( 0.000 0.979 -6.152) 6.229 7.488 ( 0.000 4.040 -6.865) 7.966 7.514 ( 0.000 -2.259 -8.130) 8.438 7.606 ( 0.000 -2.538 4.044) 4.774 7.727 ( 0.000 -9.889 -0.417) 9.897 8.224 ( 0.000 2.071 -2.347) 3.130 8.239 ( 0.000 1.152 0.556) 1.279 8.510 ( 0.000 3.525 2.016) 4.060 8.553 ( 0.000 -0.865 6.443) 6.501 8.653 ( 0.000 7.213 -8.196) 10.917 8.800 ( 0.000 -7.438 -10.509) 12.875 9.040 ( 0.000 3.068 3.099) 4.361 9.061 ( 0.000 0.326 1.002) 1.053 9.251 ( 0.000 9.573 4.776) 10.698 9.346 ( 0.000 -0.203 5.170) 5.174 9.703 ( 0.000 16.523 3.206) 16.831 9.932 ( 0.000 -0.996 -4.485) 4.594 10.097 ( 0.000 3.306 7.807) 8.478 10.253 ( 0.000 -6.000 3.514) 6.953 10.397 ( 0.000 5.100 7.884) 9.390 10.483 ( 0.000 -2.607 -0.868) 2.748 10.869 ( 0.000 10.538 12.425) 16.292 10.960 ( 0.000 5.274 9.245) 10.643 11.251 ( 0.000 3.180 -8.329) 8.915 11.265 ( 0.000 2.404 -13.405) 13.619 11.596 ( 0.000 16.917 -6.223) 18.025 11.719 ( 0.000 5.400 -10.566) 11.866 11.902 ( 0.000 9.528 -11.172) 14.683 11.920 ( 0.000 9.005 -11.637) 14.714 12.012 ( 0.000 9.617 10.044) 13.905 12.102 ( 0.000 -0.316 7.396) 7.402 12.525 ( 0.000 7.602 2.698) 8.067 12.591 ( 0.000 -2.581 3.860) 4.643 12.604 ( 0.000 -1.384 2.702) 3.036 12.644 ( 0.000 9.870 5.798) 11.447 12.720 ( 0.000 -10.528 -3.680) 11.153 12.906 ( 0.000 1.899 -0.569) 1.983 13.093 ( 0.000 3.477 -2.029) 4.026 13.238 ( 0.000 0.838 9.970) 10.005 13.338 ( 0.000 -10.271 -5.386) 11.597 13.428 ( 0.000 -13.515 3.936) 14.076 14.345 ( 0.000 10.640 -9.307) 14.136 14.461 ( 0.000 2.726 -12.664) 12.954 14.635 ( 0.000 -9.146 -10.577) 13.983 14.689 ( 0.000 -9.053 -10.056) 13.530 15.230 ( 0.000 13.465 7.107) 15.225 15.496 ( 0.000 6.243 4.283) 7.571 15.500 ( 0.000 -3.030 1.225) 3.268 15.559 ( 0.000 -7.609 0.036) 7.609 16.124 ( 0.000 -3.964 -6.201) 7.360 16.201 ( 0.000 -7.994 -9.946) 12.761 16.678 ( 0.000 0.289 -6.696) 6.703 16.782 ( 0.000 -8.416 -9.342) 12.574 17.543 ( 0.000 9.027 12.816) 15.677 17.745 ( 0.000 -7.749 9.300) 12.105 17.775 ( 0.000 -1.493 6.687) 6.852 17.848 ( 0.000 -5.542 6.980) 8.912 ======================= Grid point 111 (44/60) ======================= q-point: ( 0.25 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 4.370 9.880 5.492) 12.119 2.131 ( 2.632 -4.018 3.494) 5.940 2.184 ( 0.160 5.032 5.356) 7.351 2.253 ( -1.883 -1.412 3.803) 4.472 2.363 ( 0.984 4.628 6.698) 8.200 2.425 ( 0.292 -0.410 4.484) 4.512 2.504 ( -0.126 3.393 0.047) 3.395 2.556 ( -6.607 1.216 0.004) 6.718 2.652 ( 3.186 -5.038 3.819) 7.080 2.655 ( -1.802 -0.603 1.840) 2.645 2.766 ( -0.607 1.804 4.801) 5.164 2.797 ( 1.370 1.639 5.781) 6.163 2.824 ( -0.932 -2.240 2.118) 3.221 2.932 ( -2.124 -7.570 2.018) 8.117 2.995 ( -1.480 0.600 1.499) 2.190 3.070 ( -4.694 -5.534 0.479) 7.273 3.293 ( 2.489 3.597 -4.613) 6.357 3.303 ( 1.601 0.997 -4.702) 5.066 3.387 ( 0.778 3.814 -3.158) 5.012 3.464 ( 2.362 0.651 -5.155) 5.708 3.493 ( 1.934 -1.503 -3.341) 4.142 3.551 ( 4.965 -4.281 -2.626) 7.062 3.586 ( 0.044 1.092 -4.395) 4.529 3.648 ( 0.061 -3.448 -2.277) 4.132 3.768 ( -0.259 0.953 4.322) 4.433 3.845 ( -0.195 -5.739 3.208) 6.577 4.034 ( -9.271 3.907 -3.006) 10.500 4.105 ( -10.203 -3.227 -3.135) 11.150 4.424 ( 0.327 18.770 6.068) 19.729 4.494 ( -1.587 13.923 6.163) 15.308 4.567 ( 4.907 2.502 3.772) 6.676 4.684 ( 9.421 -1.739 -0.639) 9.602 4.748 ( 5.231 -4.525 0.698) 6.951 4.788 ( 4.603 -3.371 -0.723) 5.751 5.057 ( -2.086 0.896 -5.269) 5.738 5.080 ( -1.341 -0.750 -5.663) 5.868 5.308 ( -2.483 1.035 2.548) 3.705 5.311 ( -3.897 3.471 1.586) 5.454 5.377 ( -1.278 -1.500 1.476) 2.462 5.386 ( -2.225 -2.300 0.802) 3.299 5.552 ( 2.032 2.161 2.400) 3.816 5.593 ( -0.179 2.022 2.640) 3.330 5.646 ( 1.045 -3.427 1.049) 3.734 5.662 ( 0.874 -8.253 0.656) 8.325 6.668 ( 2.854 8.852 2.643) 9.669 6.744 ( 2.531 0.345 1.189) 2.817 6.812 ( -3.025 8.902 2.057) 9.624 6.871 ( -1.943 2.483 1.899) 3.680 7.069 ( 1.022 10.088 -4.241) 10.991 7.103 ( 1.642 7.117 -5.295) 9.021 7.133 ( 1.204 4.288 -4.624) 6.420 7.201 ( 1.642 1.023 -5.683) 6.003 7.469 ( -1.067 3.060 -6.205) 7.000 7.522 ( -0.325 -0.742 -6.399) 6.450 7.583 ( -1.344 -5.110 0.427) 5.301 7.693 ( -3.183 -10.164 -2.000) 10.837 8.167 ( -2.471 5.659 0.087) 6.175 8.243 ( 1.160 -1.426 0.627) 1.943 8.382 ( -10.189 7.389 0.918) 12.620 8.507 ( -7.002 -4.389 1.835) 8.465 8.718 ( 6.737 4.606 -6.501) 10.434 8.794 ( 1.684 -2.716 -7.797) 8.426 8.976 ( -2.356 1.863 5.484) 6.252 8.988 ( -2.071 0.002 4.872) 5.294 9.526 ( 16.003 10.366 3.076) 19.314 9.547 ( 10.260 7.868 4.819) 13.798 9.729 ( 3.047 11.119 4.714) 12.455 9.937 ( -0.311 -6.563 -2.913) 7.187 10.188 ( 9.854 5.225 4.325) 11.963 10.279 ( 4.130 -1.863 -0.924) 4.624 10.505 ( 4.389 1.837 -0.569) 4.791 10.559 ( 9.638 -1.675 2.501) 10.097 10.726 ( -8.402 12.584 9.683) 17.964 10.935 ( -4.624 -5.049 8.908) 11.235 11.137 ( -8.323 7.601 -11.360) 16.003 11.201 ( -8.579 0.953 -9.584) 12.898 11.631 ( 1.506 19.360 -3.500) 19.731 11.687 ( -2.749 11.920 -6.962) 14.075 11.864 ( -2.086 5.560 -5.836) 8.326 11.891 ( -0.773 4.728 -8.427) 9.694 12.086 ( 5.812 10.782 5.742) 13.527 12.139 ( 3.620 5.648 5.013) 8.375 12.504 ( -6.377 -0.701 5.669) 8.561 12.531 ( 0.100 3.250 1.025) 3.409 12.573 ( -3.627 -4.033 3.209) 6.302 12.622 ( -4.104 13.384 5.863) 15.177 12.764 ( 3.875 -13.364 -1.960) 14.052 12.935 ( 3.459 10.566 -1.175) 11.180 13.011 ( -5.735 -7.335 0.663) 9.334 13.145 ( -6.015 2.474 3.653) 7.460 13.354 ( -0.287 -13.477 -4.036) 14.071 13.402 ( -2.160 -13.772 1.946) 14.075 14.343 ( 0.502 12.342 -9.610) 15.650 14.438 ( -2.391 9.081 -11.899) 15.158 14.628 ( 0.223 -12.402 -9.325) 15.518 14.681 ( -1.033 -10.973 -10.384) 15.142 15.264 ( 2.952 13.335 6.746) 15.233 15.410 ( -3.848 10.823 4.089) 12.193 15.558 ( 1.949 -15.176 2.955) 15.584 15.597 ( 1.775 -5.488 -0.524) 5.792 16.182 ( 6.572 3.756 -6.425) 9.929 16.302 ( 6.931 -2.144 -10.873) 13.071 16.634 ( -3.591 -4.384 -6.447) 8.583 16.737 ( -4.289 -10.690 -9.562) 14.970 17.576 ( 3.028 7.935 11.985) 14.689 17.732 ( -2.678 2.601 7.352) 8.246 17.766 ( 0.756 -10.016 9.636) 13.920 17.832 ( -1.423 -6.437 7.568) 10.036 ======================= Grid point 112 (45/60) ======================= q-point: (-0.50 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( -6.057 6.245 1.947) 8.915 2.122 ( 6.057 6.245 1.947) 8.915 2.201 ( -3.394 -2.399 2.055) 4.637 2.201 ( 3.394 -2.399 2.055) 4.637 2.394 ( -3.405 6.103 5.481) 8.882 2.394 ( 3.405 6.103 5.481) 8.882 2.477 ( -3.107 -0.029 3.176) 4.443 2.477 ( 3.107 -0.029 3.176) 4.443 2.683 ( -4.410 2.365 1.409) 5.199 2.683 ( 4.410 2.365 1.409) 5.199 2.758 ( -5.155 -6.684 3.588) 9.172 2.758 ( 5.155 -6.684 3.588) 9.172 2.898 ( -4.411 0.273 2.758) 5.210 2.898 ( 4.411 0.273 2.758) 5.210 2.981 ( -3.038 -5.844 3.805) 7.607 2.981 ( 3.038 -5.844 3.805) 7.607 3.315 ( -0.829 6.299 -2.714) 6.909 3.315 ( 0.829 6.299 -2.714) 6.909 3.428 ( -3.358 -3.281 -3.734) 5.999 3.428 ( 3.358 -3.281 -3.734) 5.999 3.559 ( -1.743 2.113 -2.740) 3.874 3.559 ( 1.743 2.113 -2.740) 3.874 3.646 ( -1.746 -5.854 -3.752) 7.169 3.646 ( 1.746 -5.854 -3.752) 7.169 3.842 ( -6.555 2.752 0.670) 7.141 3.842 ( 6.555 2.752 0.670) 7.141 3.914 ( -6.287 -4.291 0.195) 7.615 3.914 ( 6.287 -4.291 0.195) 7.615 4.451 ( -2.014 19.343 5.887) 20.319 4.451 ( 2.014 19.343 5.887) 20.319 4.675 ( -4.660 -1.859 1.228) 5.166 4.675 ( 4.660 -1.859 1.228) 5.166 4.927 ( -9.887 0.406 -2.978) 10.334 4.927 ( 9.887 0.406 -2.978) 10.334 4.977 ( -8.268 -4.335 -3.625) 10.014 4.977 ( 8.268 -4.335 -3.625) 10.014 5.282 ( -0.461 3.134 1.950) 3.720 5.282 ( 0.461 3.134 1.950) 3.720 5.358 ( -0.256 -2.874 1.347) 3.185 5.358 ( 0.256 -2.874 1.347) 3.185 5.582 ( -0.953 2.586 2.530) 3.741 5.582 ( 0.953 2.586 2.530) 3.741 5.664 ( -0.602 -5.756 0.657) 5.825 5.664 ( 0.602 -5.756 0.657) 5.825 6.734 ( -3.228 9.297 2.428) 10.137 6.734 ( 3.228 9.297 2.428) 10.137 6.817 ( -3.006 0.559 1.055) 3.235 6.817 ( 3.006 0.559 1.055) 3.235 7.104 ( -1.690 11.403 -3.947) 12.185 7.104 ( 1.690 11.403 -3.947) 12.185 7.185 ( -2.959 0.933 -4.244) 5.257 7.185 ( 2.959 0.933 -4.244) 5.257 7.476 ( -2.241 2.137 -4.103) 5.141 7.476 ( 2.241 2.137 -4.103) 5.141 7.614 ( -3.669 -9.872 -4.577) 11.483 7.614 ( 3.669 -9.872 -4.577) 11.483 8.198 ( -5.894 8.585 0.985) 10.460 8.198 ( 5.894 8.585 0.985) 10.460 8.332 ( -7.467 -4.563 -0.272) 8.756 8.332 ( 7.467 -4.563 -0.272) 8.756 8.870 ( -5.178 3.930 -0.356) 6.510 8.870 ( 5.178 3.930 -0.356) 6.510 8.912 ( -4.634 -1.161 1.294) 4.949 8.912 ( 4.634 -1.161 1.294) 4.949 9.663 ( -1.747 15.452 2.713) 15.785 9.663 ( 1.747 15.452 2.713) 15.785 9.874 ( -7.306 -4.917 5.147) 10.200 9.874 ( 7.306 -4.917 5.147) 10.200 10.371 ( -8.407 10.580 3.316) 13.914 10.371 ( 8.407 10.580 3.316) 13.914 10.538 ( -10.066 -4.006 -5.886) 12.329 10.538 ( 10.066 -4.006 -5.886) 12.329 10.891 ( -13.690 3.913 -2.438) 14.445 10.891 ( 13.690 3.913 -2.438) 14.445 10.957 ( -9.644 -2.776 -1.171) 10.103 10.957 ( 9.644 -2.776 -1.171) 10.103 11.643 ( -0.967 21.222 -2.053) 21.343 11.643 ( 0.967 21.222 -2.053) 21.343 11.869 ( -1.389 0.718 -6.164) 6.359 11.869 ( 1.389 0.718 -6.164) 6.359 12.202 ( -1.945 16.039 5.223) 16.980 12.202 ( 1.945 16.039 5.223) 16.980 12.422 ( -3.743 -7.740 6.665) 10.879 12.422 ( 3.743 -7.740 6.665) 10.879 12.561 ( -1.632 9.083 0.782) 9.261 12.561 ( 1.632 9.083 0.782) 9.261 12.874 ( -6.713 -14.420 -0.101) 15.907 12.874 ( 6.713 -14.420 -0.101) 15.907 13.040 ( -5.267 9.949 0.634) 11.275 13.040 ( 5.267 9.949 0.634) 11.275 13.356 ( -1.543 -16.491 -2.200) 16.708 13.356 ( 1.543 -16.491 -2.200) 16.708 14.379 ( -2.796 13.307 -10.335) 17.079 14.379 ( 2.796 13.307 -10.335) 17.079 14.650 ( -1.649 -13.159 -9.644) 16.398 14.650 ( 1.649 -13.159 -9.644) 16.398 15.334 ( -3.653 12.713 5.674) 14.393 15.334 ( 3.653 12.713 5.674) 14.393 15.596 ( -1.451 -12.974 1.321) 13.121 15.596 ( 1.451 -12.974 1.321) 13.121 16.338 ( -5.606 11.893 -8.754) 15.796 16.338 ( 5.606 11.893 -8.754) 15.796 16.627 ( -4.693 -16.125 -8.516) 18.830 16.627 ( 4.693 -16.125 -8.516) 18.830 17.654 ( -4.263 5.454 9.800) 11.998 17.654 ( 4.263 5.454 9.800) 11.998 17.796 ( -1.834 -8.488 8.857) 12.404 17.796 ( 1.834 -8.488 8.857) 12.404 ======================= Grid point 135 (46/60) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 0.000 0.000 19.585) 19.585 1.822 ( 0.000 0.000 22.389) 22.389 1.822 ( 0.000 0.000 -13.886) 13.886 2.129 ( 0.000 0.000 10.609) 10.609 2.168 ( 0.000 0.000 -8.856) 8.856 2.295 ( 0.000 0.000 -4.314) 4.314 2.455 ( 0.000 0.000 7.552) 7.552 2.455 ( 0.000 0.000 1.830) 1.830 2.496 ( 0.000 0.000 4.131) 4.131 2.596 ( 0.000 0.000 -0.147) 0.147 2.651 ( 0.000 0.000 -4.191) 4.191 2.665 ( 0.000 0.000 1.310) 1.310 2.709 ( 0.000 0.000 -8.204) 8.204 2.800 ( 0.000 0.000 -9.522) 9.522 2.835 ( 0.000 0.000 18.626) 18.626 3.037 ( 0.000 0.000 3.711) 3.711 3.145 ( 0.000 0.000 -10.305) 10.305 3.147 ( 0.000 0.000 -6.862) 6.862 3.201 ( 0.000 0.000 9.785) 9.785 3.222 ( 0.000 0.000 1.138) 1.138 3.305 ( 0.000 0.000 1.820) 1.820 3.583 ( 0.000 0.000 -9.867) 9.867 3.935 ( 0.000 0.000 7.561) 7.561 3.987 ( 0.000 0.000 -2.753) 2.753 4.021 ( 0.000 0.000 3.623) 3.623 4.038 ( 0.000 0.000 -10.707) 10.707 4.051 ( 0.000 0.000 2.219) 2.219 4.080 ( 0.000 0.000 -5.457) 5.457 4.098 ( 0.000 0.000 1.057) 1.057 4.102 ( 0.000 0.000 0.628) 0.628 4.362 ( 0.000 0.000 -0.369) 0.369 4.381 ( 0.000 0.000 -2.673) 2.673 4.540 ( 0.000 0.000 3.873) 3.873 4.575 ( 0.000 0.000 1.082) 1.082 4.728 ( 0.000 0.000 3.094) 3.094 4.794 ( 0.000 0.000 -3.161) 3.161 4.844 ( 0.000 0.000 5.225) 5.225 4.882 ( 0.000 0.000 -0.836) 0.836 4.959 ( 0.000 0.000 -2.106) 2.106 4.960 ( 0.000 0.000 1.463) 1.463 5.413 ( 0.000 0.000 -1.014) 1.014 5.422 ( 0.000 0.000 0.275) 0.275 5.509 ( 0.000 0.000 4.331) 4.331 5.633 ( 0.000 0.000 -7.789) 7.789 5.684 ( 0.000 0.000 0.417) 0.417 5.689 ( 0.000 0.000 -0.545) 0.545 5.868 ( 0.000 0.000 9.847) 9.847 6.073 ( 0.000 0.000 -9.745) 9.745 6.766 ( 0.000 0.000 11.231) 11.231 6.885 ( 0.000 0.000 -0.557) 0.557 7.051 ( 0.000 0.000 2.460) 2.460 7.145 ( 0.000 0.000 -5.822) 5.822 7.151 ( 0.000 0.000 1.176) 1.176 7.216 ( 0.000 0.000 -5.542) 5.542 7.377 ( 0.000 0.000 13.222) 13.222 7.573 ( 0.000 0.000 -8.701) 8.701 7.723 ( 0.000 0.000 4.313) 4.313 7.914 ( 0.000 0.000 3.012) 3.012 7.996 ( 0.000 0.000 -16.816) 16.816 8.023 ( 0.000 0.000 -6.506) 6.506 8.465 ( 0.000 0.000 5.513) 5.513 8.525 ( 0.000 0.000 1.208) 1.208 8.628 ( 0.000 0.000 4.914) 4.914 8.720 ( 0.000 0.000 -2.495) 2.495 8.946 ( 0.000 0.000 6.863) 6.863 9.019 ( 0.000 0.000 -0.399) 0.399 9.143 ( 0.000 0.000 1.146) 1.146 9.164 ( 0.000 0.000 1.247) 1.247 9.184 ( 0.000 0.000 -5.705) 5.705 9.210 ( 0.000 0.000 -2.523) 2.523 10.113 ( 0.000 0.000 3.360) 3.360 10.205 ( 0.000 0.000 -6.048) 6.048 10.307 ( 0.000 0.000 3.401) 3.401 10.428 ( 0.000 0.000 -7.075) 7.075 10.664 ( 0.000 0.000 2.915) 2.915 10.758 ( 0.000 0.000 -4.569) 4.569 11.069 ( 0.000 0.000 -0.830) 0.830 11.117 ( 0.000 0.000 8.464) 8.464 11.168 ( 0.000 0.000 -8.524) 8.524 11.180 ( 0.000 0.000 4.536) 4.536 11.334 ( 0.000 0.000 -2.055) 2.055 11.363 ( 0.000 0.000 -6.948) 6.948 11.481 ( 0.000 0.000 -0.030) 0.030 11.495 ( 0.000 0.000 -1.513) 1.513 12.960 ( 0.000 0.000 3.541) 3.541 12.968 ( 0.000 0.000 2.842) 2.842 13.007 ( 0.000 0.000 -0.749) 0.749 13.009 ( 0.000 0.000 -0.945) 0.945 13.487 ( 0.000 0.000 9.078) 9.078 13.600 ( 0.000 0.000 -2.649) 2.649 13.860 ( 0.000 0.000 13.879) 13.879 14.198 ( 0.000 0.000 -16.750) 16.750 14.233 ( 0.000 0.000 4.906) 4.906 14.270 ( 0.000 0.000 10.642) 10.642 14.329 ( 0.000 0.000 -4.388) 4.388 14.522 ( 0.000 0.000 -14.940) 14.940 15.073 ( 0.000 0.000 -0.140) 0.140 15.105 ( 0.000 0.000 -2.303) 2.303 15.907 ( 0.000 0.000 13.039) 13.039 16.161 ( 0.000 0.000 10.580) 10.580 16.179 ( 0.000 0.000 -12.712) 12.712 16.384 ( 0.000 0.000 -10.510) 10.510 17.407 ( 0.000 0.000 1.641) 1.641 17.434 ( 0.000 0.000 -1.241) 1.241 17.749 ( 0.000 0.000 6.902) 6.902 17.872 ( 0.000 0.000 -4.862) 4.862 18.313 ( 0.000 0.000 4.307) 4.307 18.360 ( 0.000 0.000 -0.199) 0.199 ======================= Grid point 136 (47/60) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 4.706 0.000 18.111) 18.712 1.793 ( -4.104 0.000 -3.082) 5.132 1.809 ( 0.704 0.000 23.453) 23.464 2.059 ( -2.304 0.000 1.346) 2.668 2.126 ( -6.805 0.000 5.107) 8.509 2.238 ( -6.127 0.000 -10.459) 12.121 2.287 ( -6.776 0.000 -8.847) 11.144 2.434 ( -8.208 0.000 -6.682) 10.584 2.464 ( -0.980 0.000 0.928) 1.350 2.474 ( -1.767 0.000 2.299) 2.899 2.728 ( 6.718 0.000 7.178) 9.831 2.734 ( 5.188 0.000 0.287) 5.196 2.792 ( 4.854 0.000 -3.704) 6.106 2.911 ( 7.457 0.000 -9.778) 12.297 2.970 ( 3.973 0.000 8.252) 9.159 2.999 ( -3.648 0.000 4.823) 6.047 3.099 ( -3.245 0.000 -4.373) 5.445 3.125 ( -2.195 0.000 -7.377) 7.697 3.260 ( 10.358 0.000 9.938) 14.354 3.341 ( 5.935 0.000 -3.169) 6.728 3.389 ( 9.061 0.000 10.692) 14.015 3.669 ( 5.229 0.000 -2.346) 5.731 3.838 ( -9.282 0.000 -2.158) 9.530 3.921 ( -0.806 0.000 7.634) 7.676 3.930 ( -3.742 0.000 -11.074) 11.689 3.984 ( -3.449 0.000 3.394) 4.839 4.028 ( 0.645 0.000 0.283) 0.704 4.095 ( -0.533 0.000 -6.275) 6.298 4.163 ( 1.726 0.000 2.504) 3.041 4.210 ( 3.163 0.000 -4.728) 5.689 4.335 ( -13.132 0.000 13.097) 18.546 4.409 ( 3.802 0.000 1.376) 4.044 4.433 ( 3.497 0.000 -0.825) 3.593 4.523 ( -6.456 0.000 -4.636) 7.948 4.709 ( -1.094 0.000 2.014) 2.292 4.767 ( -2.386 0.000 -3.206) 3.996 4.852 ( 1.827 0.000 3.675) 4.104 4.898 ( -0.150 0.000 -0.279) 0.317 4.938 ( 0.600 0.000 -3.634) 3.683 4.973 ( -1.385 0.000 -5.997) 6.155 5.432 ( 2.188 0.000 1.402) 2.598 5.450 ( 1.324 0.000 0.304) 1.359 5.556 ( 4.284 0.000 5.446) 6.928 5.669 ( 1.818 0.000 -3.751) 4.168 5.684 ( 0.920 0.000 2.028) 2.227 5.715 ( 1.034 0.000 -0.600) 1.195 5.888 ( 2.437 0.000 4.611) 5.215 6.045 ( -2.649 0.000 -8.642) 9.039 6.753 ( -0.652 0.000 8.386) 8.411 6.844 ( -3.553 0.000 0.100) 3.554 7.062 ( 1.134 0.000 2.771) 2.993 7.131 ( -1.542 0.000 0.769) 1.723 7.165 ( 1.484 0.000 -4.956) 5.174 7.212 ( -0.433 0.000 -5.747) 5.763 7.364 ( -0.241 0.000 5.935) 5.939 7.526 ( -5.729 0.000 -9.812) 11.362 7.783 ( 7.564 0.000 12.390) 14.517 7.972 ( 5.695 0.000 2.080) 6.063 8.055 ( 3.844 0.000 -9.117) 9.895 8.058 ( 3.570 0.000 -5.353) 6.434 8.348 ( -9.343 0.000 3.771) 10.075 8.404 ( -10.209 0.000 -0.701) 10.233 8.544 ( -5.991 0.000 5.106) 7.871 8.728 ( -3.237 0.000 -8.991) 9.556 8.971 ( 4.397 0.000 3.409) 5.563 9.020 ( 1.820 0.000 -1.541) 2.385 9.162 ( -0.879 0.000 2.326) 2.487 9.190 ( 5.499 0.000 4.786) 7.290 9.196 ( -2.152 0.000 -0.730) 2.273 9.289 ( 5.484 0.000 -3.474) 6.491 10.042 ( -4.218 0.000 3.694) 5.607 10.161 ( -4.850 0.000 -7.960) 9.321 10.364 ( 6.623 0.000 8.118) 10.477 10.554 ( 10.514 0.000 -9.138) 13.931 10.678 ( 2.033 0.000 2.199) 2.995 10.767 ( 0.460 0.000 -6.175) 6.192 10.905 ( -14.807 0.000 11.496) 18.746 11.046 ( -1.436 0.000 0.096) 1.440 11.100 ( -10.686 0.000 -5.887) 12.200 11.129 ( -3.453 0.000 -6.926) 7.739 11.331 ( 1.196 0.000 0.302) 1.234 11.369 ( -0.087 0.000 -2.770) 2.772 11.507 ( 1.365 0.000 -1.060) 1.728 11.512 ( 1.046 0.000 -1.369) 1.723 13.033 ( 3.096 0.000 1.377) 3.388 13.041 ( 6.675 0.000 4.996) 8.338 13.065 ( 3.027 0.000 -1.548) 3.400 13.087 ( 9.677 0.000 0.512) 9.691 13.429 ( -4.617 0.000 8.693) 9.843 13.550 ( -4.856 0.000 -3.343) 5.896 13.914 ( 4.691 0.000 12.968) 13.790 14.156 ( -4.794 0.000 3.873) 6.162 14.237 ( 0.573 0.000 3.355) 3.404 14.278 ( 2.230 0.000 -9.806) 10.056 14.307 ( -1.949 0.000 -3.376) 3.898 14.469 ( -4.731 0.000 -15.972) 16.658 15.071 ( 0.554 0.000 1.928) 2.006 15.112 ( -0.043 0.000 -1.559) 1.560 15.906 ( 0.243 0.000 9.416) 9.420 16.014 ( -5.669 0.000 1.424) 5.845 16.375 ( 9.239 0.000 -3.697) 9.952 16.443 ( 4.442 0.000 -7.864) 9.032 17.358 ( -3.702 0.000 0.973) 3.828 17.374 ( -4.436 0.000 -0.883) 4.523 17.796 ( 3.477 0.000 5.136) 6.202 17.877 ( 0.034 0.000 -2.462) 2.463 18.323 ( 0.891 0.000 3.554) 3.664 18.356 ( -0.377 0.000 0.412) 0.559 ======================= Grid point 137 (48/60) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -7.742 0.000 12.810) 14.968 1.654 ( 7.742 0.000 12.810) 14.968 1.912 ( -9.473 0.000 19.766) 21.919 1.912 ( 9.473 0.000 19.766) 21.919 2.103 ( -5.561 0.000 -10.849) 12.191 2.103 ( 5.561 0.000 -10.849) 12.191 2.291 ( -4.605 0.000 -15.676) 16.338 2.291 ( 4.605 0.000 -15.676) 16.338 2.456 ( -0.206 0.000 2.923) 2.930 2.456 ( 0.206 0.000 2.923) 2.930 2.822 ( -2.563 0.000 -0.905) 2.718 2.822 ( 2.563 0.000 -0.905) 2.718 2.882 ( -7.100 0.000 7.015) 9.981 2.882 ( 7.100 0.000 7.015) 9.981 3.019 ( -3.618 0.000 -0.726) 3.690 3.019 ( 3.618 0.000 -0.726) 3.690 3.050 ( -5.194 0.000 -8.520) 9.978 3.050 ( 5.194 0.000 -8.520) 9.978 3.427 ( -0.668 0.000 -2.188) 2.288 3.427 ( 0.668 0.000 -2.188) 2.288 3.631 ( -9.820 0.000 12.583) 15.961 3.631 ( 9.820 0.000 12.583) 15.961 3.796 ( -11.711 0.000 4.612) 12.586 3.796 ( 11.711 0.000 4.612) 12.586 3.927 ( -1.693 0.000 6.653) 6.865 3.927 ( 1.693 0.000 6.653) 6.865 4.062 ( -2.213 0.000 -5.186) 5.639 4.062 ( 2.213 0.000 -5.186) 5.639 4.145 ( -4.278 0.000 -0.276) 4.287 4.145 ( 4.278 0.000 -0.276) 4.287 4.359 ( -7.081 0.000 -7.086) 10.017 4.359 ( 7.081 0.000 -7.086) 10.017 4.467 ( -0.871 0.000 2.078) 2.253 4.467 ( 0.871 0.000 2.078) 2.253 4.715 ( -1.924 0.000 -1.474) 2.423 4.715 ( 1.924 0.000 -1.474) 2.423 4.886 ( -0.979 0.000 0.691) 1.198 4.886 ( 0.979 0.000 0.691) 1.198 4.950 ( -0.537 0.000 -5.070) 5.099 4.950 ( 0.537 0.000 -5.070) 5.099 5.462 ( -0.424 0.000 0.616) 0.748 5.462 ( 0.424 0.000 0.616) 0.748 5.650 ( -3.674 0.000 4.334) 5.682 5.650 ( 3.674 0.000 4.334) 5.682 5.713 ( -1.245 0.000 1.499) 1.949 5.713 ( 1.245 0.000 1.499) 1.949 5.969 ( -4.547 0.000 -4.958) 6.727 5.969 ( 4.547 0.000 -4.958) 6.727 6.770 ( -2.693 0.000 2.818) 3.898 6.770 ( 2.693 0.000 2.818) 3.898 7.094 ( -1.826 0.000 2.236) 2.887 7.094 ( 1.826 0.000 2.236) 2.887 7.195 ( -1.237 0.000 -5.495) 5.632 7.195 ( 1.237 0.000 -5.495) 5.632 7.404 ( -4.482 0.000 -2.948) 5.365 7.404 ( 4.482 0.000 -2.948) 5.365 7.993 ( -10.124 0.000 11.550) 15.359 7.993 ( 10.124 0.000 11.550) 15.359 8.131 ( -7.100 0.000 -0.249) 7.105 8.131 ( 7.100 0.000 -0.249) 7.105 8.196 ( -6.197 0.000 -1.013) 6.279 8.196 ( 6.197 0.000 -1.013) 6.279 8.566 ( -8.561 0.000 -10.955) 13.904 8.566 ( 8.561 0.000 -10.955) 13.904 9.092 ( -5.439 0.000 2.354) 5.926 9.092 ( 5.439 0.000 2.354) 5.926 9.116 ( -5.097 0.000 -0.479) 5.120 9.116 ( 5.097 0.000 -0.479) 5.120 9.307 ( -3.936 0.000 4.161) 5.728 9.307 ( 3.936 0.000 4.161) 5.728 10.042 ( -4.608 0.000 -4.031) 6.122 10.042 ( 4.608 0.000 -4.031) 6.122 10.582 ( -13.610 0.000 11.990) 18.138 10.582 ( 13.610 0.000 11.990) 18.138 10.742 ( -3.120 0.000 -3.184) 4.458 10.742 ( 3.120 0.000 -3.184) 4.458 10.829 ( -13.718 0.000 -9.702) 16.802 10.829 ( 13.718 0.000 -9.702) 16.802 11.055 ( -2.734 0.000 -2.456) 3.675 11.055 ( 2.734 0.000 -2.456) 3.675 11.357 ( -1.060 0.000 -0.643) 1.240 11.357 ( 1.060 0.000 -0.643) 1.240 11.522 ( -0.114 0.000 -1.413) 1.417 11.522 ( 0.114 0.000 -1.413) 1.417 13.088 ( -1.209 0.000 0.622) 1.359 13.088 ( 1.209 0.000 0.622) 1.359 13.180 ( -4.298 0.000 5.817) 7.233 13.180 ( 4.298 0.000 5.817) 7.233 13.417 ( -6.243 0.000 -1.210) 6.359 13.417 ( 6.243 0.000 -1.210) 6.359 14.032 ( -6.422 0.000 11.221) 12.928 14.032 ( 6.422 0.000 11.221) 12.928 14.263 ( -1.958 0.000 -0.322) 1.984 14.263 ( 1.958 0.000 -0.322) 1.984 14.359 ( -5.224 0.000 -16.203) 17.024 14.359 ( 5.224 0.000 -16.203) 17.024 15.095 ( -1.403 0.000 1.277) 1.897 15.095 ( 1.403 0.000 1.277) 1.897 15.932 ( -2.493 0.000 4.239) 4.917 15.932 ( 2.493 0.000 4.239) 4.917 16.493 ( -1.251 0.000 -5.062) 5.214 16.493 ( 1.251 0.000 -5.062) 5.214 17.313 ( -0.424 0.000 -0.224) 0.479 17.313 ( 0.424 0.000 -0.224) 0.479 17.857 ( -2.066 0.000 1.723) 2.690 17.857 ( 2.066 0.000 1.723) 2.690 18.343 ( -0.908 0.000 1.917) 2.121 18.343 ( 0.908 0.000 1.917) 2.121 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 0.000 18.397 15.668) 24.165 1.837 ( 0.000 2.827 18.451) 18.666 2.021 ( 0.000 14.530 -8.820) 16.998 2.196 ( 0.000 2.984 -8.222) 8.747 2.251 ( 0.000 8.891 7.737) 11.786 2.368 ( 0.000 4.820 -2.818) 5.584 2.435 ( 0.000 -1.505 7.682) 7.828 2.469 ( 0.000 1.993 1.632) 2.576 2.513 ( 0.000 2.959 1.886) 3.509 2.582 ( 0.000 2.050 2.149) 2.970 2.651 ( 0.000 -2.287 -8.764) 9.057 2.661 ( 0.000 -0.659 -7.541) 7.570 2.746 ( 0.000 4.564 -1.106) 4.696 2.773 ( 0.000 2.905 8.632) 9.108 2.930 ( 0.000 3.455 4.729) 5.857 3.066 ( 0.000 2.851 2.687) 3.918 3.152 ( 0.000 1.667 -7.977) 8.150 3.181 ( 0.000 3.185 -1.502) 3.522 3.203 ( 0.000 1.751 5.406) 5.682 3.231 ( 0.000 0.832 2.477) 2.613 3.334 ( 0.000 2.520 1.095) 2.748 3.560 ( 0.000 -2.145 -8.734) 8.993 3.943 ( 0.000 -3.533 -2.679) 4.434 3.951 ( 0.000 -3.728 -0.292) 3.739 3.961 ( 0.000 -6.296 0.676) 6.332 3.978 ( 0.000 -3.390 1.475) 3.697 4.039 ( 0.000 -3.768 -0.743) 3.840 4.044 ( 0.000 4.349 -4.002) 5.910 4.197 ( 0.000 7.012 3.597) 7.880 4.276 ( 0.000 9.716 -4.138) 10.561 4.535 ( 0.000 0.352 2.796) 2.818 4.537 ( 0.000 3.267 3.256) 4.613 4.629 ( 0.000 4.486 0.894) 4.574 4.655 ( 0.000 17.908 -1.999) 18.019 4.717 ( 0.000 11.644 4.447) 12.465 4.804 ( 0.000 3.845 -3.050) 4.908 4.893 ( 0.000 3.852 0.912) 3.958 4.904 ( 0.000 1.896 -1.706) 2.551 5.008 ( 0.000 8.053 -0.184) 8.055 5.021 ( 0.000 8.858 0.560) 8.876 5.418 ( 0.000 1.703 0.002) 1.703 5.432 ( 0.000 2.453 -0.047) 2.454 5.617 ( 0.000 9.955 4.968) 11.126 5.738 ( 0.000 9.667 -7.360) 12.149 5.756 ( 0.000 7.178 0.394) 7.189 5.765 ( 0.000 9.089 -0.282) 9.094 5.906 ( 0.000 2.190 8.730) 9.000 6.092 ( 0.000 0.578 -8.983) 9.002 6.862 ( 0.000 -1.853 4.170) 4.563 6.894 ( 0.000 11.756 3.962) 12.406 7.073 ( 0.000 -0.244 0.718) 0.759 7.100 ( 0.000 -1.975 -2.347) 3.067 7.155 ( 0.000 3.323 -0.129) 3.326 7.192 ( 0.000 -1.693 -4.898) 5.182 7.534 ( 0.000 12.750 7.487) 14.786 7.637 ( 0.000 5.166 -4.964) 7.164 7.785 ( 0.000 5.749 3.863) 6.927 7.952 ( 0.000 4.760 5.620) 7.365 8.036 ( 0.000 2.768 -15.011) 15.264 8.114 ( 0.000 9.341 -8.815) 12.843 8.457 ( 0.000 -0.219 6.483) 6.487 8.557 ( 0.000 5.044 -1.014) 5.145 8.719 ( 0.000 8.098 5.407) 9.737 8.811 ( 0.000 6.933 -1.103) 7.020 8.954 ( 0.000 0.814 3.864) 3.949 9.000 ( 0.000 -3.492 -3.117) 4.681 9.189 ( 0.000 6.000 4.359) 7.416 9.258 ( 0.000 15.035 -1.316) 15.092 9.391 ( 0.000 15.746 -0.860) 15.769 9.418 ( 0.000 16.785 -4.645) 17.416 10.051 ( 0.000 -2.092 4.609) 5.062 10.163 ( 0.000 2.224 -6.177) 6.565 10.507 ( 0.000 14.740 3.323) 15.110 10.574 ( 0.000 11.998 -2.974) 12.361 10.652 ( 0.000 -0.928 3.050) 3.188 10.758 ( 0.000 -0.113 -6.461) 6.462 10.981 ( 0.000 -4.989 2.692) 5.669 11.146 ( 0.000 -1.049 -11.958) 12.004 11.202 ( 0.000 5.982 8.797) 10.638 11.292 ( 0.000 10.371 4.902) 11.471 11.414 ( 0.000 4.474 -5.813) 7.335 11.445 ( 0.000 10.220 -4.467) 11.153 11.536 ( 0.000 4.425 0.068) 4.425 11.557 ( 0.000 7.583 -1.833) 7.801 12.874 ( 0.000 -3.916 3.945) 5.559 12.912 ( 0.000 -4.056 0.897) 4.154 13.077 ( 0.000 5.438 2.532) 5.998 13.137 ( 0.000 7.413 -2.413) 7.796 13.422 ( 0.000 -6.111 6.856) 9.184 13.518 ( 0.000 -8.003 -2.678) 8.440 13.841 ( 0.000 -1.822 13.783) 13.903 14.087 ( 0.000 -9.982 2.183) 10.218 14.101 ( 0.000 -9.080 -0.166) 9.082 14.185 ( 0.000 -2.242 -17.141) 17.287 14.542 ( 0.000 12.821 4.422) 13.563 14.677 ( 0.000 12.272 -9.349) 15.428 15.039 ( 0.000 -3.459 -0.218) 3.466 15.075 ( 0.000 -2.952 -2.829) 4.089 15.863 ( 0.000 -4.382 12.889) 13.613 16.127 ( 0.000 -5.250 -12.124) 13.211 16.140 ( 0.000 -1.818 9.187) 9.365 16.348 ( 0.000 -3.505 -10.257) 10.840 17.355 ( 0.000 -5.724 0.459) 5.742 17.367 ( 0.000 -7.052 -0.885) 7.107 17.708 ( 0.000 -3.451 7.901) 8.622 17.838 ( 0.000 -2.886 -4.617) 5.445 18.284 ( 0.000 -2.876 4.152) 5.051 18.325 ( 0.000 -3.407 0.224) 3.415 ======================= Grid point 141 (50/60) ======================= q-point: ( 0.25 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 3.572 15.266 15.946) 22.363 1.849 ( 2.120 6.359 19.233) 20.367 1.995 ( -3.460 14.979 -2.481) 15.572 2.150 ( -6.114 3.403 3.712) 7.921 2.173 ( -3.303 9.019 1.936) 9.798 2.279 ( -8.966 2.345 -5.829) 10.948 2.347 ( -3.868 5.145 -9.473) 11.453 2.403 ( -6.823 -2.289 -3.849) 8.161 2.472 ( -1.232 0.787 -0.846) 1.689 2.486 ( -1.131 2.610 0.525) 2.892 2.729 ( 4.603 0.563 0.168) 4.640 2.767 ( 5.663 2.223 2.294) 6.502 2.791 ( 3.935 1.827 -0.762) 4.405 2.879 ( 5.581 -0.180 -1.498) 5.781 3.004 ( 0.149 1.833 1.887) 2.635 3.066 ( 0.953 3.361 1.312) 3.731 3.105 ( -2.024 2.436 -1.826) 3.656 3.170 ( -1.527 4.645 -5.416) 7.297 3.264 ( 9.249 0.785 9.932) 13.595 3.357 ( 7.190 1.542 -2.006) 7.622 3.409 ( 8.431 2.019 8.795) 12.349 3.641 ( 4.872 -2.192 -2.185) 5.771 3.797 ( -8.078 -4.162 -0.475) 9.099 3.867 ( -4.099 -3.616 -8.045) 9.726 3.952 ( -1.383 -1.840 3.031) 3.805 3.982 ( -1.720 -3.408 0.495) 3.850 4.074 ( 3.183 1.242 1.113) 3.594 4.128 ( 2.533 2.445 -5.438) 6.478 4.187 ( -0.737 5.039 3.802) 6.355 4.263 ( -1.316 2.015 -0.465) 2.452 4.316 ( -13.189 1.151 6.812) 14.889 4.467 ( -7.685 -2.302 -3.772) 8.865 4.669 ( 2.770 14.770 1.878) 15.144 4.707 ( 3.194 18.657 -0.843) 18.948 4.736 ( 1.740 6.853 3.676) 7.969 4.834 ( -0.300 8.416 -4.327) 9.468 4.903 ( 1.951 4.987 2.295) 5.826 4.908 ( -0.146 2.073 -0.163) 2.084 4.978 ( -0.771 6.586 -3.499) 7.498 5.019 ( -1.383 7.711 -4.343) 8.958 5.430 ( 1.876 1.645 2.001) 3.198 5.459 ( 1.167 2.045 -0.076) 2.356 5.666 ( 4.037 9.760 5.266) 11.802 5.749 ( 0.858 7.840 1.488) 8.026 5.766 ( 0.911 7.607 -0.952) 7.721 5.793 ( 1.035 8.572 -2.419) 8.967 5.919 ( 2.057 2.125 4.143) 5.090 6.067 ( -2.385 1.102 -8.107) 8.522 6.799 ( -2.594 1.551 4.844) 5.710 6.885 ( -3.460 5.183 -1.795) 6.485 7.070 ( 1.073 1.378 1.964) 2.628 7.106 ( -0.388 -2.224 -1.512) 2.718 7.184 ( 2.004 2.289 -2.265) 3.793 7.208 ( 1.235 1.587 -4.199) 4.656 7.492 ( -1.982 11.205 4.240) 12.144 7.611 ( -4.676 7.098 -7.002) 11.012 7.841 ( 7.201 5.201 11.494) 14.527 7.999 ( 5.070 3.122 3.775) 7.050 8.047 ( -0.193 1.790 -4.664) 4.999 8.164 ( 4.221 7.268 -9.639) 12.789 8.387 ( -5.744 3.006 2.511) 6.952 8.438 ( -8.950 6.782 -0.893) 11.265 8.592 ( -7.152 4.566 5.816) 10.287 8.781 ( -4.424 4.851 -8.546) 10.777 9.079 ( 7.456 -0.918 3.791) 8.415 9.111 ( 8.524 6.266 2.401) 10.849 9.213 ( 1.997 10.622 1.724) 10.945 9.256 ( 0.879 14.291 -1.428) 14.389 9.397 ( 0.249 14.585 0.648) 14.602 9.429 ( -0.263 16.648 -2.145) 16.788 10.034 ( -1.347 0.104 2.972) 3.264 10.134 ( -3.183 1.161 -6.475) 7.308 10.499 ( 1.254 9.648 6.374) 11.631 10.612 ( 3.490 4.920 -4.067) 7.275 10.697 ( 4.248 3.228 -0.044) 5.336 10.750 ( -0.962 -0.356 -5.515) 5.609 10.967 ( -2.435 0.020 3.529) 4.288 11.049 ( -9.241 7.025 9.045) 14.716 11.102 ( -3.230 -0.063 -8.928) 9.494 11.239 ( -7.791 10.836 -6.418) 14.809 11.414 ( 2.314 6.639 -0.069) 7.032 11.462 ( 0.645 9.652 -3.324) 10.228 11.544 ( 0.392 3.407 -0.187) 3.435 11.563 ( -0.030 6.091 -1.955) 6.397 12.938 ( 5.038 -5.084 4.100) 8.249 12.984 ( 5.578 -4.285 -0.028) 7.034 13.114 ( 3.625 3.401 5.632) 7.512 13.208 ( 5.424 6.886 -2.377) 9.082 13.366 ( -4.546 -5.955 6.409) 9.859 13.485 ( -3.563 -6.171 -4.464) 8.409 13.860 ( 1.991 -4.790 12.482) 13.517 14.028 ( -4.727 -10.245 4.316) 12.081 14.111 ( 0.689 -8.313 -2.635) 8.748 14.169 ( -1.466 -3.721 -13.245) 13.835 14.544 ( 0.557 13.453 0.165) 13.466 14.641 ( -3.104 12.774 -9.330) 16.120 15.043 ( 0.913 -2.774 1.672) 3.365 15.085 ( 0.158 -2.704 -1.744) 3.222 15.870 ( 0.856 -3.595 9.469) 10.164 15.988 ( -5.430 -2.525 0.297) 5.996 16.318 ( 8.318 -5.426 -3.074) 10.396 16.394 ( 3.408 -4.774 -7.985) 9.908 17.308 ( -3.471 -5.322 0.266) 6.359 17.317 ( -3.720 -5.969 -0.785) 7.076 17.756 ( 3.608 -3.534 5.889) 7.759 17.842 ( -0.023 -3.039 -2.283) 3.801 18.292 ( 0.729 -3.070 3.492) 4.707 18.322 ( -0.378 -3.427 0.729) 3.524 ======================= Grid point 142 (51/60) ======================= q-point: (-0.50 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -7.696 13.445 12.182) 19.708 1.862 ( 7.696 13.445 12.182) 19.708 1.956 ( -8.425 7.534 16.338) 19.866 1.956 ( 8.425 7.534 16.338) 19.866 2.186 ( -2.961 5.752 -9.494) 11.489 2.186 ( 2.961 5.752 -9.494) 11.489 2.303 ( -1.484 1.631 -12.428) 12.623 2.303 ( 1.484 1.631 -12.428) 12.623 2.469 ( -0.468 1.783 1.094) 2.144 2.469 ( 0.468 1.783 1.094) 2.144 2.802 ( -1.908 -0.612 -1.008) 2.243 2.802 ( 1.908 -0.612 -1.008) 2.243 2.902 ( -5.228 1.223 4.220) 6.829 2.902 ( 5.228 1.223 4.220) 6.829 3.007 ( -4.340 1.502 -2.633) 5.294 3.007 ( 4.340 1.502 -2.633) 5.294 3.132 ( -2.423 5.557 -3.244) 6.875 3.132 ( 2.423 5.557 -3.244) 6.875 3.437 ( -1.584 0.098 -1.353) 2.086 3.437 ( 1.584 0.098 -1.353) 2.086 3.617 ( -5.829 0.083 10.938) 12.395 3.617 ( 5.829 0.083 10.938) 12.395 3.754 ( -9.512 -2.643 2.662) 10.225 3.754 ( 9.512 -2.643 2.662) 10.225 3.957 ( -0.996 -2.425 3.462) 4.342 3.957 ( 0.996 -2.425 3.462) 4.342 4.082 ( -3.750 0.031 -0.462) 3.778 4.082 ( 3.750 0.031 -0.462) 3.778 4.194 ( -1.089 6.006 0.088) 6.105 4.194 ( 1.089 6.006 0.088) 6.105 4.306 ( -5.907 -3.073 -6.623) 9.391 4.306 ( 5.907 -3.073 -6.623) 9.391 4.718 ( -1.706 15.966 3.519) 16.438 4.718 ( 1.706 15.966 3.519) 16.438 4.794 ( -3.155 9.346 -3.191) 10.368 4.794 ( 3.155 9.346 -3.191) 10.368 4.915 ( -0.769 4.793 1.258) 5.015 4.915 ( 0.769 4.793 1.258) 5.015 4.990 ( -1.499 6.438 -5.516) 8.610 4.990 ( 1.499 6.438 -5.516) 8.610 5.464 ( -0.840 1.750 1.225) 2.295 5.464 ( 0.840 1.750 1.225) 2.295 5.745 ( -2.690 8.452 4.554) 9.970 5.745 ( 2.690 8.452 4.554) 9.970 5.781 ( -1.262 6.985 1.075) 7.179 5.781 ( 1.262 6.985 1.075) 7.179 5.996 ( -4.344 2.242 -4.883) 6.910 5.996 ( 4.344 2.242 -4.883) 6.910 6.802 ( -2.994 2.301 -0.184) 3.780 6.802 ( 2.994 2.301 -0.184) 3.780 7.092 ( -0.904 -0.468 -0.108) 1.024 7.092 ( 0.904 -0.468 -0.108) 1.024 7.217 ( -0.760 3.147 -3.025) 4.431 7.217 ( 0.760 3.147 -3.025) 4.431 7.505 ( -3.661 9.376 -1.662) 10.202 7.505 ( 3.661 9.376 -1.662) 10.202 8.016 ( -5.955 1.464 8.315) 10.332 8.016 ( 5.955 1.464 8.315) 10.332 8.136 ( -6.130 0.862 -1.707) 6.422 8.136 ( 6.130 0.862 -1.707) 6.422 8.295 ( -2.506 10.669 5.316) 12.180 8.295 ( 2.506 10.669 5.316) 12.180 8.622 ( -8.934 5.563 -12.109) 16.043 8.622 ( 8.934 5.563 -12.109) 16.043 9.195 ( -2.053 0.850 3.701) 4.316 9.195 ( 2.053 0.850 3.701) 4.316 9.265 ( -1.619 15.342 0.839) 15.450 9.265 ( 1.619 15.342 0.839) 15.450 9.401 ( -1.327 16.793 1.617) 16.923 9.401 ( 1.327 16.793 1.617) 16.923 10.047 ( -3.594 1.094 -4.269) 5.687 10.047 ( 3.594 1.094 -4.269) 5.687 10.611 ( -6.978 -0.194 3.692) 7.897 10.611 ( 6.978 -0.194 3.692) 7.897 10.734 ( -1.947 4.970 0.502) 5.361 10.734 ( 1.947 4.970 0.502) 5.361 10.940 ( -5.314 5.450 -0.371) 7.620 10.940 ( 5.314 5.450 -0.371) 7.620 11.088 ( -3.916 6.132 -7.006) 10.100 11.088 ( 3.916 6.132 -7.006) 10.100 11.458 ( -1.305 9.907 -1.085) 10.051 11.458 ( 1.305 9.907 -1.085) 10.051 11.553 ( -0.659 3.295 -1.403) 3.642 11.553 ( 0.659 3.295 -1.403) 3.642 13.031 ( -2.272 -4.397 2.628) 5.604 13.031 ( 2.272 -4.397 2.628) 5.604 13.216 ( -5.505 0.198 7.730) 9.492 13.216 ( 5.505 0.198 7.730) 9.492 13.375 ( -6.237 -2.303 -5.505) 8.632 13.375 ( 6.237 -2.303 -5.505) 8.632 13.927 ( -4.447 -9.049 8.337) 13.083 13.927 ( 4.447 -9.049 8.337) 13.083 14.135 ( -1.626 -6.384 -6.990) 9.605 14.135 ( 1.626 -6.384 -6.990) 9.605 14.576 ( -2.621 13.718 -6.252) 15.302 14.576 ( 2.621 13.718 -6.252) 15.302 15.071 ( -1.354 -2.348 1.099) 2.925 15.071 ( 1.354 -2.348 1.099) 2.925 15.906 ( -2.781 -2.590 3.983) 5.505 15.906 ( 2.781 -2.590 3.983) 5.505 16.427 ( -1.511 -6.324 -5.051) 8.233 16.427 ( 1.511 -6.324 -5.051) 8.233 17.266 ( -0.258 -4.905 -0.450) 4.932 17.266 ( 0.258 -4.905 -0.450) 4.932 17.821 ( -2.223 -3.304 2.076) 4.491 17.821 ( 2.223 -3.304 2.076) 4.491 18.309 ( -0.810 -3.353 2.031) 4.003 18.309 ( 0.810 -3.353 2.031) 4.003 ======================= Grid point 145 (52/60) ======================= q-point: ( 0.00 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 0.000 4.931 16.583) 17.300 2.001 ( 0.000 10.137 8.547) 13.259 2.231 ( 0.000 5.979 -2.343) 6.422 2.283 ( 0.000 5.221 -5.237) 7.395 2.343 ( 0.000 0.447 5.402) 5.420 2.387 ( 0.000 -1.327 3.008) 3.288 2.471 ( 0.000 4.939 -0.323) 4.949 2.548 ( 0.000 3.596 -3.262) 4.855 2.568 ( 0.000 1.832 -0.146) 1.838 2.588 ( 0.000 -0.439 -5.289) 5.307 2.712 ( 0.000 4.419 -1.096) 4.553 2.727 ( 0.000 7.691 -0.331) 7.699 2.844 ( 0.000 7.920 1.822) 8.127 2.931 ( 0.000 5.935 -4.782) 7.622 2.943 ( 0.000 1.517 7.345) 7.500 3.076 ( 0.000 -1.562 -5.498) 5.715 3.249 ( 0.000 3.969 4.916) 6.318 3.255 ( 0.000 6.842 12.995) 14.687 3.283 ( 0.000 6.942 1.400) 7.082 3.318 ( 0.000 7.141 -3.178) 7.817 3.379 ( 0.000 2.460 -3.251) 4.077 3.476 ( 0.000 -6.272 -4.340) 7.627 3.771 ( 0.000 -11.096 1.837) 11.247 3.798 ( 0.000 -9.866 -0.978) 9.914 3.924 ( 0.000 -4.562 0.618) 4.604 3.943 ( 0.000 1.035 -1.260) 1.630 3.992 ( 0.000 1.000 1.331) 1.665 4.084 ( 0.000 -0.971 -6.502) 6.574 4.312 ( 0.000 6.556 -1.420) 6.708 4.319 ( 0.000 -2.253 -1.887) 2.939 4.530 ( 0.000 -0.455 3.889) 3.916 4.537 ( 0.000 0.109 1.363) 1.368 4.619 ( 0.000 -0.607 4.521) 4.562 4.728 ( 0.000 -1.883 -3.751) 4.197 4.918 ( 0.000 1.926 -1.924) 2.723 4.932 ( 0.000 1.246 -2.878) 3.136 5.114 ( 0.000 13.397 3.082) 13.747 5.124 ( 0.000 16.632 2.402) 16.805 5.267 ( 0.000 12.299 0.294) 12.303 5.279 ( 0.000 11.700 -0.837) 11.730 5.525 ( 0.000 8.382 0.717) 8.413 5.526 ( 0.000 5.907 0.748) 5.954 5.832 ( 0.000 1.059 8.661) 8.726 5.980 ( 0.000 16.896 -0.350) 16.900 5.983 ( 0.000 7.846 -1.512) 7.990 6.036 ( 0.000 21.935 5.953) 22.728 6.042 ( 0.000 11.735 -11.415) 16.371 6.127 ( 0.000 18.724 -2.794) 18.931 6.830 ( 0.000 -1.115 7.778) 7.857 7.011 ( 0.000 -0.508 -8.193) 8.209 7.035 ( 0.000 -2.433 0.942) 2.610 7.104 ( 0.000 -1.926 -6.562) 6.838 7.265 ( 0.000 9.932 -0.267) 9.935 7.269 ( 0.000 5.776 -0.466) 5.795 7.738 ( 0.000 4.562 1.481) 4.797 7.783 ( 0.000 10.529 -0.369) 10.535 7.913 ( 0.000 6.808 0.430) 6.821 8.058 ( 0.000 -0.261 -9.448) 9.452 8.150 ( 0.000 14.908 10.317) 18.130 8.362 ( 0.000 13.780 -8.328) 16.101 8.480 ( 0.000 3.074 9.426) 9.915 8.703 ( 0.000 6.312 -11.605) 13.211 8.907 ( 0.000 3.879 6.159) 7.279 8.932 ( 0.000 -1.342 -0.747) 1.535 8.952 ( 0.000 15.634 5.221) 16.483 8.994 ( 0.000 2.761 -0.919) 2.910 9.363 ( 0.000 10.564 7.427) 12.914 9.557 ( 0.000 8.299 -10.981) 13.764 9.775 ( 0.000 22.534 0.482) 22.539 9.788 ( 0.000 23.896 -1.009) 23.918 10.161 ( 0.000 11.970 8.642) 14.764 10.337 ( 0.000 13.612 -6.798) 15.216 10.649 ( 0.000 1.702 3.804) 4.167 10.714 ( 0.000 -2.924 0.431) 2.955 10.850 ( 0.000 15.234 2.495) 15.437 10.851 ( 0.000 17.027 5.436) 17.873 10.962 ( 0.000 4.868 -4.065) 6.342 11.159 ( 0.000 3.793 -16.872) 17.293 11.323 ( 0.000 6.608 7.833) 10.248 11.493 ( 0.000 3.635 -7.817) 8.621 11.570 ( 0.000 16.028 8.634) 18.206 11.707 ( 0.000 14.257 2.359) 14.451 11.708 ( 0.000 14.748 -5.229) 15.648 11.785 ( 0.000 16.697 -4.629) 17.327 12.818 ( 0.000 -5.325 1.660) 5.577 12.819 ( 0.000 -1.988 1.051) 2.249 13.191 ( 0.000 2.919 6.759) 7.363 13.192 ( 0.000 -6.312 6.395) 8.986 13.314 ( 0.000 -1.420 -3.443) 3.724 13.318 ( 0.000 -9.040 -5.182) 10.420 13.789 ( 0.000 -4.454 13.927) 14.622 13.902 ( 0.000 -10.922 -0.866) 10.956 13.919 ( 0.000 -5.045 -2.692) 5.718 14.133 ( 0.000 -2.853 -18.061) 18.284 14.791 ( 0.000 10.638 6.922) 12.692 14.919 ( 0.000 -0.306 -5.267) 5.276 14.960 ( 0.000 7.456 -1.697) 7.647 14.999 ( 0.000 -3.286 -3.924) 5.118 15.748 ( 0.000 -6.720 12.197) 13.925 15.981 ( 0.000 -9.197 -10.091) 13.654 16.106 ( 0.000 -1.309 4.680) 4.859 16.257 ( 0.000 -5.489 -8.885) 10.444 17.152 ( 0.000 -14.430 -0.125) 14.431 17.168 ( 0.000 -13.029 -1.773) 13.149 17.652 ( 0.000 -1.575 9.210) 9.343 17.786 ( 0.000 -1.927 -3.846) 4.302 18.202 ( 0.000 -5.381 3.729) 6.547 18.229 ( 0.000 -6.274 1.172) 6.383 ======================= Grid point 146 (53/60) ======================= q-point: ( 0.25 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 0.690 5.782 17.032) 18.000 2.068 ( 4.159 7.386 4.352) 9.528 2.176 ( -5.512 6.700 3.884) 9.506 2.288 ( 0.307 5.462 -2.545) 6.034 2.309 ( -2.954 1.802 3.246) 4.745 2.341 ( -4.542 5.409 -0.565) 7.085 2.378 ( -8.381 1.673 -3.342) 9.176 2.415 ( -4.118 2.171 -3.406) 5.768 2.519 ( -0.814 4.677 0.701) 4.798 2.576 ( -1.493 4.579 -3.946) 6.226 2.760 ( 4.009 2.452 0.990) 4.803 2.818 ( 2.510 2.124 -4.608) 5.661 2.887 ( 2.551 6.620 2.378) 7.482 2.934 ( -0.651 3.857 -0.913) 4.017 3.025 ( 6.350 0.837 1.161) 6.509 3.088 ( 1.182 1.652 -3.538) 4.080 3.231 ( -0.822 8.205 3.826) 9.090 3.274 ( 0.781 4.362 1.076) 4.560 3.296 ( 0.711 1.823 3.385) 3.910 3.396 ( 1.637 -0.332 -3.573) 3.944 3.452 ( 13.173 4.401 9.407) 16.774 3.566 ( 5.620 -4.950 -0.703) 7.522 3.697 ( -4.054 -5.057 1.943) 6.766 3.783 ( -0.951 -6.036 -4.669) 7.690 3.931 ( -1.602 -0.668 -0.643) 1.851 3.937 ( -2.887 2.025 -1.152) 3.710 3.991 ( 3.332 -6.687 3.751) 8.360 4.084 ( 0.751 -5.528 -4.685) 7.285 4.228 ( -11.808 0.225 6.911) 13.684 4.288 ( -5.111 -2.705 -1.708) 6.030 4.390 ( -1.697 8.741 -0.149) 8.906 4.447 ( -4.584 1.489 -2.158) 5.281 4.746 ( 6.451 0.379 2.718) 7.010 4.823 ( 4.907 0.131 -4.474) 6.642 4.912 ( -1.362 2.259 -1.882) 3.240 4.929 ( -0.556 1.454 -3.118) 3.485 5.113 ( 1.026 13.642 2.860) 13.976 5.132 ( 0.492 14.381 1.411) 14.458 5.256 ( -0.785 12.169 0.711) 12.215 5.273 ( -0.825 10.689 -0.703) 10.744 5.527 ( 1.546 6.884 2.851) 7.610 5.564 ( 1.609 7.433 -0.196) 7.608 5.852 ( 1.273 -2.117 5.961) 6.452 5.937 ( -3.051 3.316 -1.691) 4.813 5.987 ( 1.243 20.265 1.550) 20.362 6.038 ( 0.581 22.367 1.848) 22.450 6.106 ( 3.344 13.889 -5.685) 15.376 6.132 ( 0.586 19.687 -2.492) 19.853 6.804 ( -1.203 -0.056 5.718) 5.844 6.944 ( -5.026 0.509 -5.127) 7.198 7.051 ( 0.665 -2.576 -2.718) 3.803 7.092 ( -1.203 -1.449 -6.075) 6.361 7.274 ( 1.956 6.184 0.106) 6.487 7.317 ( 1.817 7.196 -3.659) 8.275 7.700 ( -1.991 6.451 0.873) 6.807 7.743 ( -3.980 5.675 -3.206) 7.637 7.944 ( 4.176 4.371 7.568) 9.686 8.068 ( 2.228 3.328 -2.195) 4.567 8.170 ( -2.691 11.252 6.327) 13.187 8.327 ( -2.496 8.683 -6.725) 11.263 8.482 ( -0.150 7.936 6.115) 10.020 8.640 ( 0.954 6.714 -8.282) 10.704 8.779 ( -7.155 17.854 6.180) 20.203 8.896 ( -1.702 6.008 -3.119) 6.980 9.055 ( 3.683 1.176 2.927) 4.849 9.124 ( 6.923 0.534 -1.378) 7.079 9.492 ( 9.639 12.841 8.279) 18.065 9.646 ( 4.305 16.367 -5.482) 17.789 9.781 ( 1.461 23.001 0.275) 23.049 9.805 ( 3.914 21.117 -3.464) 21.754 10.127 ( -3.038 10.930 5.243) 12.497 10.270 ( -6.780 11.419 -6.846) 14.941 10.604 ( -2.773 3.076 3.810) 5.627 10.681 ( -2.772 -0.144 -5.038) 5.752 10.827 ( -0.137 10.358 4.186) 11.172 10.917 ( 3.992 17.527 3.662) 18.345 10.954 ( -1.050 2.173 -3.639) 4.367 11.117 ( -1.303 2.480 -5.927) 6.556 11.286 ( -4.049 13.105 4.234) 14.355 11.455 ( -5.014 8.256 -8.610) 12.939 11.593 ( 2.520 12.562 4.179) 13.476 11.638 ( -1.205 9.073 0.741) 9.183 11.758 ( 0.926 17.664 -2.769) 17.904 11.783 ( -0.441 17.828 -4.186) 18.318 12.838 ( 3.305 -5.447 4.454) 7.774 12.895 ( 4.917 -4.504 -1.000) 6.743 13.106 ( -3.604 -6.584 9.637) 12.215 13.205 ( -4.404 -10.231 4.046) 11.850 13.328 ( 4.468 4.036 -3.708) 7.071 13.377 ( 2.797 -2.436 -5.295) 6.465 13.747 ( -2.704 -6.953 10.400) 12.799 13.833 ( -5.146 -9.179 0.499) 10.534 13.955 ( 2.347 -6.152 -2.829) 7.167 14.091 ( -3.619 -3.955 -13.721) 14.731 14.790 ( 0.373 9.038 2.192) 9.307 14.871 ( -3.280 4.831 -6.058) 8.414 14.988 ( 2.541 1.215 1.623) 3.250 15.034 ( 1.364 0.787 -1.948) 2.505 15.773 ( 2.336 -5.725 8.891) 10.830 15.914 ( -4.196 -5.248 -3.430) 7.544 16.191 ( 5.333 -6.414 -1.137) 8.418 16.272 ( 1.012 -7.017 -7.349) 10.211 17.129 ( -1.643 -12.664 -0.300) 12.773 17.143 ( -2.000 -11.812 -1.759) 12.108 17.691 ( 3.167 -2.334 7.223) 8.225 17.783 ( -0.503 -2.357 -1.742) 2.973 18.205 ( 0.336 -5.650 3.305) 6.555 18.225 ( -0.378 -6.265 1.459) 6.444 ======================= Grid point 147 (54/60) ======================= q-point: (-0.50 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( -8.002 4.818 12.281) 15.429 1.988 ( 8.002 4.818 12.281) 15.429 2.190 ( -5.689 6.495 0.294) 8.640 2.190 ( 5.689 6.495 0.294) 8.640 2.291 ( -1.056 7.011 -1.664) 7.282 2.291 ( 1.056 7.011 -1.664) 7.282 2.347 ( -2.521 2.621 -1.132) 3.809 2.347 ( 2.521 2.621 -1.132) 3.809 2.534 ( -1.904 4.248 -2.611) 5.337 2.534 ( 1.904 4.248 -2.611) 5.337 2.828 ( -1.880 2.753 -2.383) 4.098 2.828 ( 1.880 2.753 -2.383) 4.098 2.915 ( -0.861 -0.048 -0.132) 0.872 2.915 ( 0.861 -0.048 -0.132) 0.872 3.103 ( -0.579 7.380 -0.928) 7.461 3.103 ( 0.579 7.380 -0.928) 7.461 3.234 ( -2.201 4.274 1.774) 5.124 3.234 ( 2.201 4.274 1.774) 5.124 3.389 ( -3.613 -4.615 0.988) 5.944 3.389 ( 3.613 -4.615 0.988) 5.944 3.620 ( -2.215 -2.595 0.441) 3.441 3.620 ( 2.215 -2.595 0.441) 3.441 3.745 ( -9.487 1.407 4.940) 10.789 3.745 ( 9.487 1.407 4.940) 10.789 3.901 ( -2.054 1.338 0.827) 2.587 3.901 ( 2.054 1.338 0.827) 2.587 4.027 ( -2.646 -4.955 4.549) 7.228 4.027 ( 2.646 -4.955 4.549) 7.228 4.142 ( -5.765 -6.301 -2.539) 8.910 4.142 ( 5.765 -6.301 -2.539) 8.910 4.401 ( -1.293 8.088 -3.579) 8.939 4.401 ( 1.293 8.088 -3.579) 8.939 4.851 ( -4.056 2.043 0.290) 4.551 4.851 ( 4.056 2.043 0.290) 4.551 4.898 ( -2.553 1.723 -4.105) 5.132 4.898 ( 2.553 1.723 -4.105) 5.132 5.140 ( -0.377 13.570 1.311) 13.639 5.140 ( 0.377 13.570 1.311) 13.639 5.251 ( -0.710 10.059 0.187) 10.086 5.251 ( 0.710 10.059 0.187) 10.086 5.567 ( -1.458 7.145 2.377) 7.670 5.567 ( 1.458 7.145 2.377) 7.670 5.880 ( -2.061 -1.227 -0.088) 2.400 5.880 ( 2.061 -1.227 -0.088) 2.400 6.028 ( -1.737 22.173 3.533) 22.520 6.028 ( 1.737 22.173 3.533) 22.520 6.143 ( -0.302 17.450 -3.194) 17.742 6.143 ( 0.302 17.450 -3.194) 17.742 6.835 ( -4.429 1.059 -1.571) 4.817 6.835 ( 4.429 1.059 -1.571) 4.817 7.066 ( -0.991 -1.918 -4.302) 4.813 7.066 ( 0.991 -1.918 -4.302) 4.813 7.317 ( -1.578 5.484 -2.010) 6.051 7.317 ( 1.578 5.484 -2.010) 6.051 7.686 ( -1.151 5.816 -1.495) 6.114 7.686 ( 1.151 5.816 -1.495) 6.114 8.046 ( -5.223 2.478 6.943) 9.035 8.046 ( 5.223 2.478 6.943) 9.035 8.200 ( -7.435 5.893 -3.086) 9.976 8.200 ( 7.435 5.893 -3.086) 9.976 8.570 ( -8.627 14.017 9.741) 19.125 8.570 ( 8.627 14.017 9.741) 19.125 8.807 ( -7.360 14.602 -10.944) 19.677 8.807 ( 7.360 14.602 -10.944) 19.677 9.146 ( -3.989 -2.839 3.520) 6.030 9.146 ( 3.989 -2.839 3.520) 6.030 9.634 ( -3.703 19.568 2.338) 20.052 9.634 ( 3.703 19.568 2.338) 20.052 9.872 ( -3.943 25.314 1.023) 25.640 9.872 ( 3.943 25.314 1.023) 25.640 10.111 ( -5.563 5.716 -5.897) 9.919 10.111 ( 5.563 5.716 -5.897) 9.919 10.606 ( -3.160 2.025 -0.618) 3.804 10.606 ( 3.160 2.025 -0.618) 3.804 10.873 ( -3.798 5.945 -4.044) 8.131 10.873 ( 3.798 5.945 -4.044) 8.132 11.047 ( -6.432 8.856 9.026) 14.187 11.047 ( 6.432 8.856 9.026) 14.187 11.308 ( -7.015 13.764 -7.116) 17.009 11.308 ( 7.015 13.764 -7.116) 17.009 11.635 ( -0.736 7.625 1.196) 7.753 11.635 ( 0.736 7.625 1.196) 7.753 11.768 ( -0.662 19.374 -3.743) 19.743 11.768 ( 0.662 19.374 -3.743) 19.743 12.926 ( -3.656 -6.348 4.406) 8.549 12.926 ( 3.656 -6.348 4.406) 8.549 13.099 ( -4.411 -10.049 4.529) 11.872 13.099 ( 4.411 -10.049 4.529) 11.872 13.399 ( -1.527 2.159 -4.238) 4.995 13.399 ( 1.527 2.159 -4.238) 4.995 13.739 ( -2.693 -9.317 4.574) 10.723 13.739 ( 2.693 -9.317 4.574) 10.723 14.013 ( -3.431 -5.453 -6.708) 9.301 14.013 ( 3.431 -5.453 -6.708) 9.301 14.815 ( -2.021 7.050 -3.335) 8.056 14.815 ( 2.021 7.050 -3.335) 8.056 15.033 ( -1.366 1.495 1.258) 2.384 15.033 ( 1.366 1.495 1.258) 2.384 15.835 ( -3.482 -4.406 2.464) 6.133 15.835 ( 3.482 -4.406 2.464) 6.133 16.270 ( -1.866 -8.682 -4.392) 9.907 16.270 ( 1.866 -8.682 -4.392) 9.907 17.112 ( -0.442 -10.820 -1.183) 10.893 17.112 ( 0.442 -10.820 -1.183) 10.893 17.754 ( -2.469 -2.794 2.861) 4.700 17.754 ( 2.469 -2.794 2.861) 4.700 18.215 ( -0.565 -6.089 2.299) 6.534 18.215 ( 0.565 -6.089 2.299) 6.534 ======================= Grid point 150 (55/60) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 0.000 5.524 11.807) 13.036 2.140 ( 0.000 4.830 1.150) 4.965 2.317 ( 0.000 -1.805 5.198) 5.502 2.318 ( 0.000 3.695 0.969) 3.820 2.368 ( 0.000 -0.305 2.971) 2.987 2.380 ( 0.000 3.791 -0.579) 3.835 2.561 ( 0.000 2.323 0.225) 2.334 2.569 ( 0.000 2.356 -1.415) 2.749 2.612 ( 0.000 4.208 0.355) 4.223 2.650 ( 0.000 2.678 -3.414) 4.339 2.818 ( 0.000 4.893 0.765) 4.952 2.831 ( 0.000 4.550 -0.824) 4.624 2.911 ( 0.000 -0.708 5.039) 5.088 2.974 ( 0.000 2.659 2.532) 3.672 3.015 ( 0.000 1.993 -1.961) 2.796 3.052 ( 0.000 0.384 -7.848) 7.857 3.234 ( 0.000 -7.670 3.503) 8.432 3.271 ( 0.000 -4.117 -1.042) 4.247 3.393 ( 0.000 2.133 4.215) 4.724 3.407 ( 0.000 0.879 0.662) 1.101 3.439 ( 0.000 3.708 -0.044) 3.708 3.521 ( 0.000 -0.467 -5.087) 5.108 3.565 ( 0.000 -7.823 1.093) 7.899 3.614 ( 0.000 -3.973 -2.327) 4.604 3.880 ( 0.000 2.917 1.156) 3.138 3.900 ( 0.000 -4.363 -0.332) 4.375 4.017 ( 0.000 0.700 2.813) 2.899 4.097 ( 0.000 2.233 -5.263) 5.717 4.341 ( 0.000 7.089 5.635) 9.056 4.466 ( 0.000 6.722 -2.331) 7.115 4.551 ( 0.000 1.806 0.333) 1.837 4.564 ( 0.000 4.282 -3.777) 5.709 4.617 ( 0.000 1.004 5.733) 5.821 4.699 ( 0.000 -0.363 -1.696) 1.734 4.957 ( 0.000 1.950 -2.555) 3.214 4.958 ( 0.000 1.471 -2.663) 3.042 5.291 ( 0.000 6.222 2.610) 6.748 5.328 ( 0.000 6.592 -0.116) 6.593 5.415 ( 0.000 2.922 1.772) 3.417 5.418 ( 0.000 3.505 1.100) 3.674 5.608 ( 0.000 2.059 1.851) 2.768 5.635 ( 0.000 2.255 -0.841) 2.406 5.719 ( 0.000 -8.489 5.964) 10.375 5.835 ( 0.000 -11.440 -4.871) 12.434 6.446 ( 0.000 23.254 4.926) 23.770 6.530 ( 0.000 24.654 2.811) 24.814 6.535 ( 0.000 27.178 -5.114) 27.655 6.594 ( 0.000 21.540 -2.624) 21.699 6.826 ( 0.000 1.344 8.415) 8.522 6.992 ( 0.000 -1.673 0.611) 1.781 6.997 ( 0.000 -0.223 -6.694) 6.698 7.054 ( 0.000 -2.099 -5.747) 6.118 7.340 ( 0.000 1.493 -1.702) 2.264 7.370 ( 0.000 0.886 -5.473) 5.544 7.779 ( 0.000 -1.775 5.363) 5.649 7.851 ( 0.000 -3.346 -0.816) 3.444 8.077 ( 0.000 3.538 -4.710) 5.891 8.098 ( 0.000 11.250 -7.071) 13.288 8.361 ( 0.000 2.867 7.558) 8.083 8.564 ( 0.000 5.110 -6.946) 8.623 8.590 ( 0.000 6.400 6.451) 9.088 8.704 ( 0.000 -4.028 -7.307) 8.343 8.989 ( 0.000 5.272 -1.302) 5.430 8.994 ( 0.000 4.405 -0.491) 4.432 9.121 ( 0.000 11.582 9.329) 14.872 9.263 ( 0.000 12.456 -2.164) 12.643 9.581 ( 0.000 11.285 6.562) 13.054 9.700 ( 0.000 9.386 -5.857) 11.063 10.193 ( 0.000 16.470 3.945) 16.936 10.206 ( 0.000 11.139 6.330) 12.812 10.375 ( 0.000 10.149 0.208) 10.151 10.557 ( 0.000 1.720 -11.204) 11.335 10.716 ( 0.000 11.150 11.724) 16.179 10.783 ( 0.000 13.581 6.555) 15.080 11.067 ( 0.000 5.788 -7.071) 9.138 11.067 ( 0.000 7.234 -6.988) 10.058 11.209 ( 0.000 14.198 8.120) 16.356 11.370 ( 0.000 15.382 -7.308) 17.030 11.503 ( 0.000 11.891 -2.608) 12.173 11.546 ( 0.000 2.703 -6.630) 7.160 11.903 ( 0.000 17.087 7.305) 18.582 11.992 ( 0.000 14.280 -2.387) 14.478 12.113 ( 0.000 26.018 3.423) 26.242 12.220 ( 0.000 25.986 -5.354) 26.532 12.713 ( 0.000 -5.007 2.984) 5.828 12.777 ( 0.000 -3.044 -3.488) 4.630 12.979 ( 0.000 -12.626 2.405) 12.853 12.984 ( 0.000 -15.588 3.069) 15.887 13.249 ( 0.000 -6.799 4.151) 7.966 13.333 ( 0.000 0.221 -4.054) 4.060 13.635 ( 0.000 -9.698 10.946) 14.624 13.693 ( 0.000 -9.424 1.706) 9.577 13.959 ( 0.000 7.844 -5.898) 9.814 14.097 ( 0.000 0.498 -15.920) 15.928 14.744 ( 0.000 -11.828 -2.162) 12.024 14.763 ( 0.000 -10.465 -3.196) 10.942 15.125 ( 0.000 12.637 5.960) 13.972 15.231 ( 0.000 13.883 -4.294) 14.532 15.627 ( 0.000 -4.832 9.153) 10.351 15.782 ( 0.000 -10.520 -5.828) 12.027 16.092 ( 0.000 -0.440 -1.580) 1.640 16.143 ( 0.000 -5.907 -5.493) 8.066 16.836 ( 0.000 -16.081 0.634) 16.094 16.879 ( 0.000 -14.916 -3.669) 15.361 17.658 ( 0.000 2.354 8.736) 9.048 17.773 ( 0.000 0.798 -2.437) 2.565 18.077 ( 0.000 -7.069 2.932) 7.653 18.082 ( 0.000 -8.519 2.551) 8.893 ======================= Grid point 151 (56/60) ======================= q-point: ( 0.25 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 0.800 6.117 11.369) 12.934 2.150 ( -0.170 2.935 -0.827) 3.054 2.241 ( -3.724 -0.461 2.191) 4.345 2.312 ( -3.261 -1.239 -2.752) 4.444 2.375 ( 2.155 5.437 6.188) 8.515 2.432 ( 2.249 3.995 -0.784) 4.651 2.454 ( -5.861 4.682 1.017) 7.570 2.476 ( -4.968 4.363 -0.148) 6.613 2.632 ( -0.632 4.887 1.360) 5.112 2.659 ( -0.520 5.099 -0.991) 5.220 2.815 ( 1.930 2.110 0.514) 2.905 2.859 ( 1.388 2.592 -2.084) 3.604 2.909 ( -0.653 -2.639 1.577) 3.142 2.961 ( -3.409 -0.752 -3.378) 4.858 3.045 ( 5.900 0.114 4.662) 7.520 3.144 ( 4.469 0.411 -4.400) 6.285 3.258 ( 2.275 -4.997 3.430) 6.474 3.301 ( 0.921 -0.916 -0.241) 1.321 3.336 ( -2.465 -0.350 3.045) 3.933 3.387 ( -2.813 3.048 -1.899) 4.562 3.481 ( 4.354 -2.180 0.696) 4.919 3.522 ( 0.754 -2.959 -2.678) 4.062 3.641 ( 4.835 -5.630 -0.890) 7.474 3.658 ( 3.449 -2.650 -1.612) 4.639 3.877 ( -0.210 -3.645 2.842) 4.627 3.911 ( 0.390 -0.507 -0.431) 0.771 3.988 ( -1.498 -1.456 1.462) 2.550 4.028 ( -4.363 3.069 -2.555) 5.915 4.279 ( -6.086 5.765 4.546) 9.536 4.334 ( -9.126 11.098 2.198) 14.535 4.526 ( 1.675 5.924 1.502) 6.337 4.581 ( 0.364 9.824 -4.611) 10.859 4.739 ( 7.421 -0.868 2.160) 7.778 4.801 ( 6.678 -1.790 -3.274) 7.650 4.953 ( -1.333 1.691 -2.786) 3.521 4.955 ( -0.513 1.420 -3.086) 3.435 5.284 ( 0.164 5.242 3.558) 6.337 5.329 ( 0.369 5.673 -0.363) 5.697 5.384 ( -2.646 2.715 2.081) 4.325 5.398 ( -1.940 3.228 0.613) 3.816 5.611 ( 0.799 1.714 2.979) 3.529 5.651 ( 0.640 1.203 0.025) 1.363 5.730 ( 1.216 -7.848 3.264) 8.586 5.818 ( -1.695 -9.874 -4.079) 10.817 6.478 ( 2.669 23.001 4.595) 23.607 6.517 ( 0.077 22.721 2.329) 22.840 6.571 ( 2.006 27.335 -2.603) 27.532 6.606 ( 0.802 23.067 -2.706) 23.239 6.811 ( -0.495 1.327 6.802) 6.948 6.946 ( -3.735 0.130 -2.750) 4.640 7.012 ( 0.944 -0.865 -4.120) 4.315 7.056 ( -0.333 -1.157 -6.579) 6.689 7.348 ( 1.114 1.412 -1.036) 2.076 7.398 ( 1.384 0.411 -6.076) 6.245 7.714 ( -4.516 -3.565 1.924) 6.067 7.778 ( -5.752 -3.512 -4.116) 7.897 8.048 ( 2.056 7.122 4.685) 8.769 8.158 ( 1.703 5.830 -3.858) 7.196 8.356 ( -6.845 4.866 5.156) 9.855 8.461 ( -5.918 3.937 -5.079) 8.736 8.635 ( 6.468 4.467 3.683) 8.680 8.695 ( 4.272 0.223 -2.960) 5.202 8.991 ( -0.538 4.295 2.369) 4.935 9.021 ( 2.162 3.040 -0.613) 3.780 9.250 ( 4.954 18.136 2.736) 18.998 9.302 ( 1.771 16.919 -0.472) 17.018 9.701 ( 11.294 8.630 6.328) 15.558 9.818 ( 10.611 5.153 -6.419) 13.430 10.150 ( 0.230 10.162 3.945) 10.903 10.204 ( -2.300 14.789 1.628) 15.055 10.369 ( -2.740 9.430 -0.607) 9.839 10.500 ( -8.730 9.092 -8.744) 15.341 10.695 ( 1.799 7.063 6.478) 9.751 10.752 ( -1.568 12.928 2.105) 13.192 10.982 ( -3.199 3.530 -0.731) 4.820 11.087 ( -3.465 7.234 -7.000) 10.646 11.232 ( 2.388 13.973 7.752) 16.157 11.332 ( -1.993 18.814 -2.474) 19.080 11.514 ( 0.739 10.282 -2.833) 10.691 11.575 ( 1.474 5.563 -7.425) 9.394 11.890 ( -0.435 17.685 4.220) 18.187 11.919 ( -3.336 17.829 0.986) 18.165 12.166 ( 2.164 23.465 0.464) 23.569 12.234 ( -0.099 25.593 -4.692) 26.019 12.718 ( 1.385 -6.475 4.966) 8.277 12.811 ( 2.482 -4.257 -3.687) 6.154 12.905 ( -5.045 -11.902 5.750) 14.148 12.958 ( -2.520 -13.128 0.964) 13.403 13.271 ( 2.050 -8.933 4.495) 10.209 13.362 ( 1.157 -4.310 -4.035) 6.017 13.570 ( -3.978 -10.463 7.197) 13.307 13.647 ( -4.278 -10.004 -0.564) 10.894 13.962 ( 0.645 6.995 -4.715) 8.460 14.057 ( -3.217 2.423 -12.019) 12.675 14.742 ( 0.042 -10.681 -2.503) 10.971 14.759 ( -0.418 -10.549 -3.735) 11.198 15.158 ( 2.707 12.450 5.497) 13.876 15.234 ( -0.166 13.146 -1.448) 13.227 15.668 ( 3.404 -4.527 5.282) 7.745 15.774 ( -0.946 -8.762 -4.595) 9.938 16.110 ( 1.549 -1.422 -1.586) 2.634 16.148 ( 0.264 -4.400 -4.583) 6.359 16.836 ( 0.065 -16.162 -0.223) 16.164 16.867 ( -1.039 -15.235 -3.378) 15.639 17.683 ( 2.155 1.752 7.229) 7.744 17.764 ( -0.919 0.678 -0.700) 1.339 18.075 ( -0.098 -7.386 2.908) 7.938 18.080 ( -0.183 -8.224 2.506) 8.599 ======================= Grid point 152 (57/60) ======================= q-point: (-0.50 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( -5.159 4.470 6.066) 9.132 2.083 ( 5.159 4.470 6.066) 9.132 2.229 ( -2.710 -0.297 -3.297) 4.278 2.229 ( 2.710 -0.297 -3.297) 4.278 2.398 ( -1.517 5.093 4.063) 6.689 2.398 ( 1.517 5.093 4.063) 6.689 2.447 ( -1.284 5.618 1.043) 5.857 2.447 ( 1.284 5.618 1.043) 5.857 2.629 ( -1.144 5.331 0.320) 5.462 2.629 ( 1.144 5.331 0.320) 5.462 2.867 ( -1.727 0.085 -3.938) 4.301 2.867 ( 1.727 0.085 -3.938) 4.301 2.904 ( -1.061 -0.516 0.043) 1.180 2.904 ( 1.061 -0.516 0.043) 1.180 3.153 ( -3.501 -4.337 3.121) 6.388 3.153 ( 3.501 -4.337 3.121) 6.388 3.290 ( -1.965 0.130 2.891) 3.498 3.290 ( 1.965 0.130 2.891) 3.498 3.341 ( -1.382 2.447 -2.142) 3.534 3.341 ( 1.382 2.447 -2.142) 3.534 3.540 ( -0.390 -4.314 -1.519) 4.590 3.540 ( 0.390 -4.314 -1.519) 4.590 3.698 ( -0.998 -5.180 -2.038) 5.655 3.698 ( 0.998 -5.180 -2.038) 5.655 3.890 ( -1.399 -4.490 2.103) 5.152 3.890 ( 1.399 -4.490 2.103) 5.152 3.990 ( -0.673 -2.882 0.242) 2.970 3.990 ( 0.673 -2.882 0.242) 2.970 4.197 ( -1.463 16.466 4.662) 17.176 4.197 ( 1.463 16.466 4.662) 17.176 4.569 ( -1.616 8.572 -1.898) 8.927 4.569 ( 1.616 8.572 -1.898) 8.927 4.875 ( -5.070 0.657 -0.719) 5.163 4.875 ( 5.070 0.657 -0.719) 5.163 4.917 ( -3.245 0.376 -4.012) 5.173 4.917 ( 3.245 0.376 -4.012) 5.173 5.320 ( -3.072 2.741 3.101) 5.154 5.320 ( 3.072 2.741 3.101) 5.154 5.353 ( -1.961 4.288 -0.072) 4.716 5.353 ( 1.961 4.288 -0.072) 4.716 5.640 ( -1.526 0.510 3.099) 3.491 5.640 ( 1.526 0.510 3.099) 3.491 5.771 ( -2.516 -7.552 -2.012) 8.210 5.771 ( 2.516 -7.552 -2.012) 8.210 6.521 ( -0.713 22.067 4.644) 22.562 6.521 ( 0.713 22.067 4.644) 22.562 6.602 ( -1.125 25.517 -1.560) 25.589 6.602 ( 1.125 25.517 -1.560) 25.589 6.853 ( -4.427 1.374 -0.667) 4.683 6.853 ( 4.427 1.374 -0.667) 4.683 7.036 ( -1.311 -0.376 -5.835) 5.992 7.036 ( 1.311 -0.376 -5.835) 5.992 7.386 ( -2.192 1.223 -2.517) 3.555 7.386 ( 2.192 1.223 -2.517) 3.555 7.684 ( -2.467 -4.979 -2.821) 6.232 7.684 ( 2.467 -4.979 -2.821) 6.232 8.128 ( -5.023 5.320 5.137) 8.940 8.128 ( 5.023 5.320 5.137) 8.940 8.314 ( -5.477 3.839 -2.468) 7.130 8.314 ( 5.477 3.839 -2.468) 7.130 8.771 ( -3.509 7.170 2.140) 8.264 8.771 ( 3.509 7.170 2.140) 8.264 9.005 ( -3.547 -1.011 2.522) 4.468 9.005 ( 3.547 -1.011 2.522) 4.468 9.294 ( -1.594 21.251 -1.079) 21.338 9.294 ( 1.594 21.251 -1.079) 21.338 9.935 ( -5.502 8.721 3.099) 10.767 9.935 ( 5.502 8.721 3.099) 10.767 10.206 ( -4.792 7.686 -1.137) 9.129 10.206 ( 4.793 7.686 -1.137) 9.129 10.280 ( -6.671 10.304 -6.030) 13.676 10.280 ( 6.671 10.304 -6.030) 13.676 10.748 ( -0.529 11.424 0.893) 11.471 10.748 ( 0.529 11.424 0.893) 11.471 10.976 ( -4.101 5.024 -1.309) 6.616 10.976 ( 4.101 5.024 -1.309) 6.616 11.291 ( -2.756 15.065 5.173) 16.165 11.291 ( 2.756 15.065 5.173) 16.165 11.554 ( -2.913 10.280 -6.784) 12.657 11.554 ( 2.913 10.280 -6.784) 12.657 11.894 ( -0.438 19.503 2.930) 19.727 11.894 ( 0.438 19.503 2.930) 19.727 12.199 ( -2.100 22.196 -3.025) 22.499 12.199 ( 2.100 22.196 -3.025) 22.499 12.781 ( -4.290 -8.077 6.628) 11.295 12.781 ( 4.290 -8.077 6.628) 11.295 12.896 ( -3.203 -8.978 -1.411) 9.636 12.896 ( 3.203 -8.978 -1.411) 9.636 13.329 ( -3.395 -10.395 2.795) 11.287 13.329 ( 3.395 -10.395 2.795) 11.287 13.561 ( -2.997 -10.078 -1.288) 10.593 13.561 ( 2.997 -10.078 -1.288) 10.593 13.994 ( -2.488 5.319 -6.437) 8.713 13.994 ( 2.488 5.319 -6.437) 8.713 14.748 ( -0.523 -10.185 -3.425) 10.758 14.748 ( 0.523 -10.185 -3.425) 10.758 15.212 ( -2.047 12.380 3.050) 12.913 15.212 ( 2.047 12.380 3.050) 12.913 15.737 ( -2.762 -5.706 -0.881) 6.400 15.737 ( 2.762 -5.706 -0.881) 6.400 16.141 ( -1.062 -2.552 -2.563) 3.770 16.141 ( 1.062 -2.552 -2.563) 3.770 16.845 ( -0.895 -15.934 -2.111) 16.098 16.845 ( 0.895 -15.934 -2.111) 16.098 17.732 ( -2.223 0.864 3.398) 4.152 17.732 ( 2.223 0.864 3.398) 4.152 18.076 ( -0.165 -7.815 2.652) 8.254 18.076 ( 0.165 -7.815 2.652) 8.254 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.00 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( 0.000 4.614 6.766) 8.189 2.186 ( 0.000 -0.864 1.220) 1.495 2.298 ( 0.000 0.787 3.512) 3.599 2.331 ( 0.000 -1.572 0.172) 1.581 2.413 ( 0.000 3.221 1.918) 3.749 2.433 ( 0.000 1.307 -0.198) 1.322 2.588 ( 0.000 1.582 3.380) 3.732 2.626 ( 0.000 -0.246 -0.559) 0.611 2.672 ( 0.000 2.312 2.754) 3.596 2.693 ( 0.000 2.129 -0.221) 2.141 2.865 ( 0.000 0.757 4.841) 4.900 2.884 ( 0.000 0.014 2.871) 2.871 2.943 ( 0.000 3.900 4.458) 5.923 3.019 ( 0.000 1.238 1.519) 1.960 3.057 ( 0.000 -2.272 -1.156) 2.549 3.072 ( 0.000 2.439 -4.135) 4.800 3.105 ( 0.000 0.403 -1.014) 1.091 3.166 ( 0.000 -5.392 -2.788) 6.070 3.324 ( 0.000 -4.296 -1.012) 4.413 3.361 ( 0.000 -7.747 -3.700) 8.585 3.408 ( 0.000 0.694 0.698) 0.984 3.461 ( 0.000 -3.101 -3.203) 4.458 3.530 ( 0.000 2.274 -0.294) 2.293 3.579 ( 0.000 -2.403 -4.051) 4.710 3.864 ( 0.000 1.131 3.605) 3.778 3.905 ( 0.000 -1.913 0.852) 2.095 4.076 ( 0.000 3.850 -1.988) 4.333 4.119 ( 0.000 -0.477 -5.111) 5.134 4.528 ( 0.000 1.560 2.177) 2.678 4.541 ( 0.000 2.767 0.919) 2.915 4.599 ( 0.000 9.593 6.175) 11.409 4.667 ( 0.000 3.043 2.472) 3.921 4.669 ( 0.000 1.955 0.785) 2.107 4.724 ( 0.000 1.568 -3.953) 4.252 4.985 ( 0.000 1.042 -2.628) 2.827 4.987 ( 0.000 0.923 -2.888) 3.031 5.387 ( 0.000 3.112 2.727) 4.138 5.415 ( 0.000 -1.279 1.507) 1.977 5.419 ( 0.000 2.102 0.186) 2.111 5.425 ( 0.000 -2.560 0.517) 2.611 5.574 ( 0.000 -2.773 2.888) 4.004 5.630 ( 0.000 -7.359 -2.028) 7.633 5.631 ( 0.000 0.266 0.890) 0.929 5.642 ( 0.000 -0.804 -0.364) 0.883 6.744 ( 0.000 6.784 6.582) 9.452 6.786 ( 0.000 0.924 3.771) 3.883 6.896 ( 0.000 8.142 0.839) 8.185 6.931 ( 0.000 1.992 1.073) 2.262 6.958 ( 0.000 13.716 -4.148) 14.330 7.018 ( 0.000 6.136 0.289) 6.143 7.018 ( 0.000 3.185 -4.462) 5.482 7.061 ( 0.000 2.216 -3.744) 4.350 7.357 ( 0.000 1.248 -4.542) 4.710 7.359 ( 0.000 -0.111 -5.173) 5.174 7.684 ( 0.000 -5.197 3.059) 6.030 7.720 ( 0.000 -7.872 -0.654) 7.899 8.189 ( 0.000 6.611 1.601) 6.802 8.280 ( 0.000 1.676 1.474) 2.231 8.365 ( 0.000 4.423 -6.501) 7.863 8.526 ( 0.000 -7.502 -13.463) 15.412 8.646 ( 0.000 0.517 2.923) 2.969 8.655 ( 0.000 -0.746 2.458) 2.569 9.079 ( 0.000 3.074 0.308) 3.090 9.081 ( 0.000 3.023 0.252) 3.034 9.335 ( 0.000 7.673 4.024) 8.664 9.396 ( 0.000 1.509 -1.049) 1.838 9.785 ( 0.000 8.398 4.008) 9.305 9.853 ( 0.000 2.887 -3.001) 4.164 10.300 ( 0.000 3.189 10.455) 10.930 10.350 ( 0.000 0.299 5.620) 5.627 10.502 ( 0.000 2.705 -0.127) 2.708 10.527 ( 0.000 -1.060 -0.738) 1.291 11.009 ( 0.000 12.456 3.662) 12.983 11.063 ( 0.000 8.817 2.945) 9.296 11.137 ( 0.000 0.996 -4.813) 4.915 11.146 ( 0.000 0.631 -0.802) 1.021 11.474 ( 0.000 11.690 -0.105) 11.691 11.575 ( 0.000 2.572 -0.646) 2.652 11.647 ( 0.000 8.085 -12.145) 14.590 11.697 ( 0.000 5.111 -9.537) 10.821 12.200 ( 0.000 11.046 6.403) 12.768 12.231 ( 0.000 7.937 3.435) 8.649 12.575 ( 0.000 8.718 2.558) 9.086 12.640 ( 0.000 3.059 -3.298) 4.498 12.657 ( 0.000 -1.758 1.969) 2.640 12.659 ( 0.000 -6.243 1.512) 6.424 12.751 ( 0.000 5.491 4.677) 7.213 12.850 ( 0.000 8.931 -4.657) 10.072 13.089 ( 0.000 -8.294 3.154) 8.873 13.202 ( 0.000 -11.876 -6.903) 13.736 13.461 ( 0.000 -5.198 9.143) 10.517 13.522 ( 0.000 -8.627 3.144) 9.182 14.177 ( 0.000 13.422 -5.421) 14.475 14.214 ( 0.000 11.369 -9.261) 14.664 14.473 ( 0.000 -14.900 -3.874) 15.395 14.501 ( 0.000 -15.019 -6.377) 16.317 15.371 ( 0.000 11.642 6.078) 13.133 15.468 ( 0.000 9.049 -3.389) 9.663 15.566 ( 0.000 -2.123 2.193) 3.053 15.580 ( 0.000 -9.950 0.691) 9.974 16.043 ( 0.000 -3.000 -1.747) 3.472 16.060 ( 0.000 -3.086 -3.718) 4.832 16.604 ( 0.000 -5.366 -0.809) 5.426 16.640 ( 0.000 -8.061 -4.345) 9.158 17.746 ( 0.000 6.489 6.875) 9.454 17.821 ( 0.000 3.992 -0.396) 4.011 17.907 ( 0.000 -8.727 4.464) 9.802 17.936 ( 0.000 -6.813 1.534) 6.984 ======================= Grid point 156 (59/60) ======================= q-point: ( 0.25 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 0.390 4.346 5.555) 7.063 2.181 ( -0.199 -1.050 0.672) 1.263 2.235 ( -3.982 1.347 1.044) 4.332 2.276 ( -3.831 -2.141 -1.694) 4.705 2.469 ( 3.495 3.575 3.209) 5.941 2.493 ( 3.310 1.281 0.790) 3.637 2.540 ( -2.014 4.489 3.353) 5.954 2.571 ( -3.538 3.164 0.485) 4.772 2.696 ( -0.057 1.707 2.169) 2.761 2.720 ( 2.399 -0.721 0.786) 2.626 2.834 ( -5.654 0.688 3.957) 6.936 2.873 ( -0.937 -1.493 1.379) 2.238 2.906 ( 0.827 3.206 3.318) 4.687 2.954 ( -3.782 0.506 -1.048) 3.957 3.023 ( 0.526 -2.249 1.536) 2.773 3.057 ( -0.402 -4.453 -1.352) 4.671 3.237 ( 5.280 1.127 -0.444) 5.417 3.259 ( 5.090 -2.343 0.101) 5.604 3.331 ( 2.049 0.332 -2.046) 2.915 3.363 ( 0.159 -3.394 -3.659) 4.994 3.445 ( 2.136 -1.198 -0.601) 2.521 3.485 ( 1.865 -2.093 -3.897) 4.801 3.534 ( 0.721 -1.461 0.328) 1.662 3.581 ( 0.248 -4.082 -3.623) 5.464 3.852 ( -0.710 1.283 3.593) 3.881 3.895 ( -0.551 -2.321 0.462) 2.430 3.990 ( -6.494 1.986 -0.254) 6.796 4.033 ( -6.452 -1.959 -3.411) 7.556 4.523 ( 0.623 12.752 3.807) 13.322 4.574 ( -0.305 10.179 -0.348) 10.189 4.645 ( 2.703 4.542 4.648) 7.038 4.699 ( 3.077 -0.749 1.689) 3.589 4.733 ( 3.544 1.035 -1.589) 4.019 4.761 ( 6.720 -1.193 -2.033) 7.121 4.969 ( -2.037 0.482 -2.542) 3.293 4.979 ( -1.389 0.191 -3.415) 3.692 5.355 ( -2.380 2.096 2.315) 3.926 5.364 ( -2.739 -0.922 1.865) 3.440 5.403 ( -1.762 -1.947 0.600) 2.694 5.405 ( -1.647 -0.829 0.566) 1.930 5.601 ( 1.792 -1.361 2.468) 3.340 5.633 ( 0.111 0.316 1.289) 1.331 5.647 ( 1.036 -4.964 -1.267) 5.226 5.653 ( 0.745 -2.014 -1.039) 2.386 6.752 ( 1.137 5.783 4.467) 7.395 6.790 ( 0.791 0.655 1.759) 2.037 6.855 ( -2.636 7.542 2.615) 8.407 6.902 ( -2.638 0.877 0.048) 2.780 7.009 ( 3.197 13.253 -1.738) 13.744 7.039 ( 1.818 9.242 -0.837) 9.457 7.043 ( 2.297 4.904 -2.880) 6.134 7.093 ( 1.783 4.034 -4.438) 6.257 7.355 ( 0.504 0.708 -3.469) 3.577 7.374 ( 1.319 -0.889 -5.393) 5.622 7.602 ( -6.275 -5.855 1.077) 8.650 7.641 ( -6.362 -8.518 -2.674) 10.962 8.193 ( 0.760 6.758 3.755) 7.768 8.264 ( -0.636 2.135 -0.149) 2.232 8.384 ( -5.268 1.408 -0.162) 5.455 8.464 ( -7.313 -3.537 -5.830) 9.999 8.659 ( 8.620 0.656 0.682) 8.672 8.685 ( 8.356 -1.377 -2.290) 8.773 9.060 ( -3.107 2.132 2.236) 4.382 9.065 ( -2.088 1.486 1.841) 3.156 9.550 ( 14.117 10.079 1.168) 17.385 9.584 ( 11.709 7.794 -1.207) 14.118 9.821 ( 4.795 4.070 3.540) 7.217 9.875 ( 2.917 -0.117 -2.318) 3.728 10.273 ( -0.113 4.463 5.820) 7.335 10.330 ( -1.874 -0.042 4.334) 4.723 10.473 ( -3.356 3.647 -3.841) 6.270 10.537 ( -2.282 -2.168 -6.445) 7.173 10.931 ( -4.133 10.884 9.356) 14.936 11.017 ( -3.929 5.308 2.543) 7.077 11.044 ( -4.258 4.599 -0.160) 6.269 11.123 ( -3.917 -1.305 -1.945) 4.564 11.544 ( 4.117 12.969 -0.790) 13.630 11.596 ( 1.373 7.030 -0.658) 7.193 11.674 ( 2.106 5.766 -9.524) 11.331 11.703 ( 0.455 4.567 -8.145) 9.349 12.227 ( 3.260 13.368 5.141) 14.689 12.247 ( 2.415 12.013 3.172) 12.657 12.556 ( -3.398 4.993 1.403) 6.200 12.572 ( -5.412 0.279 0.576) 5.450 12.634 ( -0.343 -1.423 3.787) 4.061 12.696 ( 2.330 -6.848 -1.959) 7.494 12.777 ( -0.290 8.121 4.566) 9.321 12.865 ( 1.428 13.793 -4.207) 14.491 13.061 ( -1.130 -12.078 4.338) 12.883 13.165 ( -3.242 -12.493 -4.376) 13.628 13.362 ( -6.689 -8.028 5.411) 11.767 13.431 ( -7.266 -11.621 -0.103) 13.706 14.177 ( 0.521 13.961 -4.605) 14.711 14.216 ( -0.407 12.497 -8.037) 14.863 14.478 ( 0.473 -15.180 -3.876) 15.674 14.500 ( -0.222 -14.844 -5.881) 15.968 15.394 ( 1.910 10.936 5.370) 12.332 15.459 ( -0.856 9.042 -0.276) 9.086 15.587 ( 1.209 -5.701 0.143) 5.830 15.592 ( 1.037 -8.202 0.289) 8.272 16.108 ( 6.171 2.439 -0.957) 6.705 16.144 ( 6.436 1.162 -4.609) 8.001 16.559 ( -3.854 -8.877 -0.924) 9.722 16.594 ( -4.213 -10.711 -4.313) 12.291 17.761 ( 1.271 6.009 5.900) 8.517 17.814 ( -0.728 4.307 0.691) 4.423 17.910 ( 0.334 -8.461 4.113) 9.414 17.931 ( -0.465 -7.013 1.985) 7.304 ======================= Grid point 157 (60/60) ======================= q-point: (-0.50 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -2.874 3.041 1.429) 4.421 2.157 ( 2.874 3.041 1.429) 4.421 2.205 ( -2.355 -1.912 -0.755) 3.126 2.205 ( 2.355 -1.912 -0.755) 3.126 2.512 ( -0.660 5.194 4.146) 6.679 2.512 ( 0.660 5.194 4.146) 6.679 2.534 ( -0.393 2.809 1.601) 3.257 2.534 ( 0.393 2.809 1.601) 3.257 2.715 ( -2.458 3.080 1.456) 4.201 2.715 ( 2.458 3.080 1.456) 4.201 2.804 ( -3.297 -5.652 0.490) 6.562 2.804 ( 3.297 -5.652 0.490) 6.562 2.931 ( -0.907 3.945 0.844) 4.135 2.931 ( 0.907 3.945 0.844) 4.135 3.038 ( -1.032 -5.965 1.328) 6.198 3.038 ( 1.032 -5.965 1.328) 6.198 3.302 ( -1.315 2.276 1.640) 3.098 3.302 ( 1.315 2.276 1.640) 3.098 3.363 ( -1.345 -2.089 -2.685) 3.658 3.363 ( 1.345 -2.089 -2.685) 3.658 3.491 ( -1.640 0.803 -2.586) 3.166 3.491 ( 1.640 0.803 -2.586) 3.166 3.569 ( -1.807 -6.385 -2.731) 7.176 3.569 ( 1.807 -6.385 -2.731) 7.176 3.871 ( -3.125 1.699 1.271) 3.777 3.871 ( 3.125 1.699 1.271) 3.777 3.923 ( -3.114 -3.236 0.324) 4.503 3.923 ( 3.114 -3.236 0.324) 4.503 4.548 ( -1.585 15.453 2.870) 15.797 4.548 ( 1.585 15.453 2.870) 15.797 4.691 ( -1.686 1.709 0.438) 2.440 4.691 ( 1.686 1.709 0.438) 2.440 4.878 ( -6.775 -0.025 -1.008) 6.849 4.878 ( 6.775 -0.025 -1.008) 6.849 4.904 ( -5.901 -1.946 -3.060) 6.926 4.904 ( 5.901 -1.946 -3.060) 6.926 5.332 ( -0.377 0.793 2.138) 2.312 5.332 ( 0.377 0.793 2.138) 2.312 5.379 ( -0.133 -2.497 0.429) 2.537 5.379 ( 0.133 -2.497 0.429) 2.537 5.628 ( -0.733 -0.067 1.910) 2.047 5.628 ( 0.733 -0.067 1.910) 2.047 5.660 ( -0.207 -3.085 -1.023) 3.257 5.660 ( 0.207 -3.085 -1.023) 3.257 6.796 ( -2.889 5.680 3.047) 7.063 6.796 ( 2.889 5.680 3.047) 7.063 6.835 ( -3.345 0.330 0.142) 3.364 6.835 ( 3.345 0.330 0.142) 3.364 7.057 ( -0.770 13.120 -0.541) 13.154 7.057 ( 0.770 13.120 -0.541) 13.154 7.094 ( -1.795 5.842 -3.953) 7.278 7.094 ( 1.795 5.842 -3.953) 7.278 7.388 ( -1.670 1.242 -3.069) 3.709 7.388 ( 1.670 1.242 -3.069) 3.709 7.529 ( -2.172 -9.980 -2.647) 10.551 7.529 ( 2.172 -9.980 -2.647) 10.551 8.238 ( -3.688 5.454 1.955) 6.868 8.238 ( 3.688 5.454 1.955) 6.868 8.323 ( -4.154 -2.598 -0.673) 4.946 8.323 ( 4.154 -2.598 -0.673) 4.946 8.879 ( -2.287 4.227 0.706) 4.858 8.879 ( 2.287 4.227 0.706) 4.858 8.951 ( -2.521 -3.305 1.608) 4.457 8.951 ( 2.521 -3.305 1.608) 4.457 9.700 ( -0.281 17.332 0.893) 17.357 9.700 ( 0.281 17.332 0.893) 17.357 9.942 ( -1.327 -6.880 1.656) 7.200 9.942 ( 1.327 -6.880 1.656) 7.200 10.340 ( -0.942 5.486 -3.242) 6.442 10.340 ( 0.942 5.486 -3.242) 6.442 10.387 ( -4.237 1.077 -5.452) 6.988 10.387 ( 4.237 1.077 -5.452) 6.988 10.943 ( -3.425 7.160 5.459) 9.633 10.943 ( 3.425 7.160 5.459) 9.633 11.026 ( -3.495 -0.979 2.478) 4.395 11.026 ( 3.495 -0.979 2.478) 4.395 11.599 ( -1.322 13.499 -0.176) 13.565 11.599 ( 1.322 13.499 -0.176) 13.565 11.705 ( -0.617 3.252 -7.627) 8.315 11.705 ( 0.617 3.252 -7.627) 8.315 12.310 ( -1.057 18.167 3.598) 18.550 12.310 ( 1.057 18.167 3.598) 18.550 12.470 ( -1.618 0.945 -0.201) 1.884 12.470 ( 1.618 0.945 -0.201) 1.884 12.666 ( -3.266 0.838 6.636) 7.444 12.666 ( 3.266 0.838 6.636) 7.444 12.828 ( -4.982 -2.130 -3.780) 6.607 12.828 ( 4.982 -2.130 -3.780) 6.607 13.097 ( -3.702 -4.074 3.245) 6.390 13.097 ( 3.702 -4.074 3.245) 6.390 13.309 ( -2.802 -15.078 -1.966) 15.462 13.309 ( 2.802 -15.078 -1.966) 15.462 14.197 ( -1.180 13.749 -5.661) 14.915 14.197 ( 1.180 13.749 -5.661) 14.915 14.490 ( -0.625 -15.035 -4.713) 15.769 14.490 ( 0.625 -15.035 -4.713) 15.769 15.433 ( -1.649 9.728 3.159) 10.360 15.433 ( 1.649 9.728 3.159) 10.360 15.603 ( -0.226 -7.769 -0.330) 7.780 15.603 ( 0.226 -7.769 -0.330) 7.780 16.222 ( -1.792 10.663 -2.734) 11.153 16.222 ( 1.792 10.663 -2.734) 11.153 16.511 ( -1.567 -17.113 -2.832) 17.417 16.511 ( 1.567 -17.113 -2.832) 17.417 17.791 ( -1.464 5.040 3.393) 6.250 17.791 ( 1.464 5.040 3.393) 6.250 17.920 ( -0.588 -7.667 3.058) 8.275 17.920 ( 0.588 -7.667 3.058) 8.275 =================== 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 3/27216 10.0 1669.821 2254.949 1939.130 0.000 0.000 -0.000 3/27216 20.0 401.173 482.654 421.478 0.000 0.000 0.000 3/27216 30.0 138.222 186.902 151.115 0.000 0.000 0.000 3/27216 40.0 69.693 96.568 77.548 0.000 0.000 0.000 3/27216 50.0 43.421 60.420 48.423 0.000 0.000 0.000 3/27216 60.0 30.484 42.449 33.911 0.000 0.000 0.000 3/27216 70.0 23.026 32.110 25.533 0.000 0.000 0.000 3/27216 80.0 18.265 25.543 20.195 0.000 0.000 0.000 3/27216 90.0 15.006 21.069 16.552 0.000 0.000 0.000 3/27216 100.0 12.660 17.861 13.936 0.000 0.000 0.000 3/27216 110.0 10.905 15.466 11.985 0.000 0.000 0.000 3/27216 120.0 9.553 13.621 10.484 0.000 0.000 0.000 3/27216 130.0 8.484 12.161 9.300 0.000 0.000 0.000 3/27216 140.0 7.623 10.982 8.346 0.000 0.000 0.000 3/27216 150.0 6.915 10.012 7.565 0.000 0.000 0.000 3/27216 160.0 6.326 9.200 6.914 0.000 0.000 0.000 3/27216 170.0 5.827 8.512 6.366 0.000 0.000 0.000 3/27216 180.0 5.402 7.921 5.897 0.000 0.000 0.000 3/27216 190.0 5.034 7.410 5.493 0.000 0.000 0.000 3/27216 200.0 4.714 6.961 5.142 0.000 0.000 0.000 3/27216 210.0 4.432 6.566 4.833 0.000 0.000 0.000 3/27216 220.0 4.183 6.215 4.560 0.000 0.000 0.000 3/27216 230.0 3.961 5.900 4.316 0.000 0.000 0.000 3/27216 240.0 3.761 5.617 4.098 0.000 0.000 0.000 3/27216 250.0 3.582 5.360 3.902 0.000 0.000 0.000 3/27216 260.0 3.419 5.127 3.724 0.000 0.000 0.000 3/27216 270.0 3.270 4.914 3.562 0.000 0.000 0.000 3/27216 280.0 3.135 4.719 3.413 0.000 0.000 0.000 3/27216 290.0 3.010 4.539 3.278 0.000 0.000 0.000 3/27216 300.0 2.895 4.372 3.152 0.000 0.000 0.000 3/27216 310.0 2.789 4.218 3.037 0.000 0.000 0.000 3/27216 320.0 2.691 4.074 2.930 0.000 0.000 0.000 3/27216 330.0 2.600 3.941 2.830 0.000 0.000 0.000 3/27216 340.0 2.514 3.816 2.737 0.000 0.000 0.000 3/27216 350.0 2.435 3.699 2.650 0.000 0.000 0.000 3/27216 360.0 2.360 3.589 2.569 0.000 0.000 0.000 3/27216 370.0 2.290 3.485 2.493 0.000 0.000 0.000 3/27216 380.0 2.224 3.388 2.421 0.000 0.000 0.000 3/27216 390.0 2.162 3.296 2.353 0.000 0.000 0.000 3/27216 400.0 2.103 3.209 2.289 0.000 0.000 0.000 3/27216 410.0 2.048 3.126 2.229 0.000 0.000 0.000 3/27216 420.0 1.995 3.048 2.172 0.000 0.000 0.000 3/27216 430.0 1.945 2.974 2.117 0.000 0.000 0.000 3/27216 440.0 1.898 2.903 2.066 0.000 0.000 0.000 3/27216 450.0 1.853 2.836 2.017 0.000 0.000 0.000 3/27216 460.0 1.810 2.772 1.970 0.000 0.000 0.000 3/27216 470.0 1.769 2.710 1.925 0.000 0.000 0.000 3/27216 480.0 1.730 2.652 1.883 0.000 0.000 0.000 3/27216 490.0 1.693 2.595 1.842 0.000 0.000 0.000 3/27216 500.0 1.657 2.542 1.803 0.000 0.000 0.000 3/27216 510.0 1.623 2.490 1.766 0.000 0.000 0.000 3/27216 520.0 1.590 2.441 1.730 0.000 0.000 0.000 3/27216 530.0 1.558 2.393 1.696 0.000 0.000 0.000 3/27216 540.0 1.528 2.347 1.663 0.000 0.000 0.000 3/27216 550.0 1.499 2.304 1.632 0.000 0.000 0.000 3/27216 560.0 1.471 2.261 1.601 0.000 0.000 0.000 3/27216 570.0 1.444 2.220 1.572 0.000 0.000 0.000 3/27216 580.0 1.418 2.181 1.544 0.000 0.000 0.000 3/27216 590.0 1.393 2.143 1.516 0.000 0.000 0.000 3/27216 600.0 1.369 2.107 1.490 0.000 0.000 0.000 3/27216 610.0 1.346 2.071 1.465 0.000 0.000 0.000 3/27216 620.0 1.323 2.037 1.440 0.000 0.000 0.000 3/27216 630.0 1.302 2.004 1.417 0.000 0.000 0.000 3/27216 640.0 1.280 1.972 1.394 0.000 0.000 0.000 3/27216 650.0 1.260 1.941 1.372 0.000 0.000 0.000 3/27216 660.0 1.240 1.911 1.350 0.000 0.000 0.000 3/27216 670.0 1.221 1.882 1.329 0.000 0.000 0.000 3/27216 680.0 1.203 1.854 1.309 0.000 0.000 0.000 3/27216 690.0 1.185 1.827 1.290 0.000 0.000 0.000 3/27216 700.0 1.167 1.800 1.271 0.000 0.000 0.000 3/27216 710.0 1.151 1.774 1.252 0.000 0.000 0.000 3/27216 720.0 1.134 1.749 1.235 0.000 0.000 0.000 3/27216 730.0 1.118 1.725 1.217 0.000 0.000 0.000 3/27216 740.0 1.103 1.701 1.200 0.000 0.000 0.000 3/27216 750.0 1.088 1.678 1.184 0.000 0.000 0.000 3/27216 760.0 1.073 1.656 1.168 0.000 0.000 0.000 3/27216 770.0 1.059 1.634 1.152 0.000 0.000 0.000 3/27216 780.0 1.045 1.613 1.137 0.000 0.000 0.000 3/27216 790.0 1.031 1.592 1.123 0.000 0.000 0.000 3/27216 800.0 1.018 1.572 1.108 0.000 0.000 0.000 3/27216 810.0 1.005 1.552 1.094 0.000 0.000 0.000 3/27216 820.0 0.993 1.533 1.081 0.000 0.000 0.000 3/27216 830.0 0.981 1.514 1.067 0.000 0.000 0.000 3/27216 840.0 0.969 1.496 1.054 0.000 0.000 0.000 3/27216 850.0 0.957 1.478 1.042 0.000 0.000 0.000 3/27216 860.0 0.946 1.461 1.029 0.000 0.000 0.000 3/27216 870.0 0.935 1.444 1.017 0.000 0.000 0.000 3/27216 880.0 0.924 1.427 1.006 0.000 0.000 0.000 3/27216 890.0 0.913 1.411 0.994 0.000 0.000 0.000 3/27216 900.0 0.903 1.395 0.983 0.000 0.000 0.000 3/27216 910.0 0.893 1.380 0.972 0.000 0.000 0.000 3/27216 920.0 0.883 1.365 0.961 0.000 0.000 0.000 3/27216 930.0 0.873 1.350 0.951 0.000 0.000 0.000 3/27216 940.0 0.864 1.335 0.940 0.000 0.000 0.000 3/27216 950.0 0.855 1.321 0.930 0.000 0.000 0.000 3/27216 960.0 0.846 1.307 0.921 0.000 0.000 0.000 3/27216 970.0 0.837 1.294 0.911 0.000 0.000 0.000 3/27216 980.0 0.828 1.280 0.902 0.000 0.000 0.000 3/27216 990.0 0.820 1.267 0.892 0.000 0.000 0.000 3/27216 1000.0 0.811 1.254 0.883 0.000 0.000 0.000 3/27216 Thermal conductivity related properties were written into "kappa-m497.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:01:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|