----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:06:34]------------------------- 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 12.319301950000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.701292489999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.058367559999999 Atomic positions (fractional): *1 O 0.60043575212635 0.25000000000000 0.42527161541535 15.999 2 O 0.39956424787365 0.75000000000000 0.57472838458465 15.999 3 O 0.89956424787365 0.75000000000000 0.92527161541535 15.999 4 O 0.10043575212635 0.25000000000000 0.07472838458465 15.999 *5 O 0.27546536496980 0.00120206733778 0.85832037412552 15.999 6 O 0.72453463503020 0.50120206733778 0.14167962587448 15.999 7 O 0.22453463503020 0.99879793266222 0.35832037412552 15.999 8 O 0.77546536496980 0.49879793266222 0.64167962587448 15.999 9 O 0.72453463503020 0.99879793266222 0.14167962587448 15.999 10 O 0.27546536496980 0.49879793266222 0.85832037412552 15.999 11 O 0.77546536496980 0.00120206733778 0.64167962587448 15.999 12 O 0.22453463503020 0.50120206733778 0.35832037412552 15.999 *13 O 0.06526863610479 0.49730974530674 0.66615428306179 15.999 14 O 0.93473136389521 0.99730974530674 0.33384571693821 15.999 15 O 0.43473136389521 0.50269025469326 0.16615428306179 15.999 16 O 0.56526863610479 0.00269025469326 0.83384571693821 15.999 17 O 0.43473136389521 0.99730974530674 0.16615428306179 15.999 18 O 0.56526863610479 0.49730974530674 0.83384571693821 15.999 19 O 0.06526863610479 0.00269025469326 0.66615428306179 15.999 20 O 0.93473136389521 0.50269025469326 0.33384571693821 15.999 *21 Zn 0.15062340485335 0.25000000000000 0.80907622173112 65.380 22 Zn 0.34937659514665 0.75000000000000 0.30907622173112 65.380 23 Zn 0.65062340485335 0.25000000000000 0.69092377826888 65.380 24 Zn 0.84937659514665 0.75000000000000 0.19092377826888 65.380 *25 Ba 0.60044238208507 0.75000000000000 0.42296168883050 137.327 26 Ba 0.10044238208507 0.75000000000000 0.07703831116950 137.327 27 Ba 0.39955761791493 0.25000000000000 0.57703831116950 137.327 28 Ba 0.89955761791493 0.25000000000000 0.92296168883050 137.327 *29 Tb 0.29233493035617 0.25000000000000 0.11986699270739 158.925 30 Tb 0.70766506964383 0.75000000000000 0.88013300729261 158.925 31 Tb 0.20766506964383 0.75000000000000 0.61986699270739 158.925 32 Tb 0.79233493035617 0.25000000000000 0.38013300729261 158.925 *33 Tb 0.07470980988950 0.25000000000000 0.40056091619046 158.925 34 Tb 0.92529019011050 0.75000000000000 0.59943908380954 158.925 35 Tb 0.42529019011050 0.75000000000000 0.90056091619046 158.925 36 Tb 0.57470980988950 0.25000000000000 0.09943908380954 158.925 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.319301950000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.701292489999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.058367559999999 Atomic positions (fractional): *1 O 0.60043575212635 0.25000000000000 0.42527161541535 15.999 > 1 2 O 0.39956424787365 0.75000000000000 0.57472838458465 15.999 > 2 3 O 0.89956424787365 0.75000000000000 0.92527161541535 15.999 > 3 4 O 0.10043575212635 0.25000000000000 0.07472838458465 15.999 > 4 *5 O 0.27546536496980 0.00120206733778 0.85832037412552 15.999 > 5 6 O 0.72453463503020 0.50120206733778 0.14167962587448 15.999 > 6 7 O 0.22453463503020 0.99879793266222 0.35832037412552 15.999 > 7 8 O 0.77546536496980 0.49879793266222 0.64167962587448 15.999 > 8 9 O 0.72453463503020 0.99879793266222 0.14167962587448 15.999 > 9 10 O 0.27546536496980 0.49879793266222 0.85832037412552 15.999 > 10 11 O 0.77546536496980 0.00120206733778 0.64167962587448 15.999 > 11 12 O 0.22453463503020 0.50120206733778 0.35832037412552 15.999 > 12 *13 O 0.06526863610479 0.49730974530674 0.66615428306179 15.999 > 13 14 O 0.93473136389521 0.99730974530674 0.33384571693821 15.999 > 14 15 O 0.43473136389521 0.50269025469326 0.16615428306179 15.999 > 15 16 O 0.56526863610479 0.00269025469326 0.83384571693821 15.999 > 16 17 O 0.43473136389521 0.99730974530674 0.16615428306179 15.999 > 17 18 O 0.56526863610479 0.49730974530674 0.83384571693821 15.999 > 18 19 O 0.06526863610479 0.00269025469326 0.66615428306179 15.999 > 19 20 O 0.93473136389521 0.50269025469326 0.33384571693821 15.999 > 20 *21 Zn 0.15062340485335 0.25000000000000 0.80907622173112 65.380 > 21 22 Zn 0.34937659514665 0.75000000000000 0.30907622173112 65.380 > 22 23 Zn 0.65062340485335 0.25000000000000 0.69092377826888 65.380 > 23 24 Zn 0.84937659514665 0.75000000000000 0.19092377826888 65.380 > 24 *25 Ba 0.60044238208507 0.75000000000000 0.42296168883050 137.327 > 25 26 Ba 0.10044238208507 0.75000000000000 0.07703831116950 137.327 > 26 27 Ba 0.39955761791493 0.25000000000000 0.57703831116950 137.327 > 27 28 Ba 0.89955761791493 0.25000000000000 0.92296168883050 137.327 > 28 *29 Tb 0.29233493035617 0.25000000000000 0.11986699270739 158.925 > 29 30 Tb 0.70766506964383 0.75000000000000 0.88013300729261 158.925 > 30 31 Tb 0.20766506964383 0.75000000000000 0.61986699270739 158.925 > 31 32 Tb 0.79233493035617 0.25000000000000 0.38013300729261 158.925 > 32 *33 Tb 0.07470980988950 0.25000000000000 0.40056091619046 158.925 > 33 34 Tb 0.92529019011050 0.75000000000000 0.59943908380954 158.925 > 34 35 Tb 0.42529019011050 0.75000000000000 0.90056091619046 158.925 > 35 36 Tb 0.57470980988950 0.25000000000000 0.09943908380954 158.925 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.319301950000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.402584979999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.116735119999998 Atomic positions (fractional): *1 O 0.60043575212635 0.12500000000000 0.21263580770768 15.999 > 1 2 O 0.60043575212635 0.62500000000000 0.21263580770768 15.999 > 1 3 O 0.60043575212635 0.12500000000000 0.71263580770768 15.999 > 1 4 O 0.60043575212635 0.62500000000000 0.71263580770768 15.999 > 1 5 O 0.39956424787365 0.37500000000000 0.28736419229232 15.999 > 2 6 O 0.39956424787365 0.87500000000000 0.28736419229232 15.999 > 2 7 O 0.39956424787365 0.37500000000000 0.78736419229232 15.999 > 2 8 O 0.39956424787365 0.87500000000000 0.78736419229232 15.999 > 2 9 O 0.89956424787365 0.37500000000000 0.46263580770768 15.999 > 3 10 O 0.89956424787365 0.87500000000000 0.46263580770768 15.999 > 3 11 O 0.89956424787365 0.37500000000000 0.96263580770768 15.999 > 3 12 O 0.89956424787365 0.87500000000000 0.96263580770768 15.999 > 3 13 O 0.10043575212635 0.12500000000000 0.03736419229232 15.999 > 4 14 O 0.10043575212635 0.62500000000000 0.03736419229232 15.999 > 4 15 O 0.10043575212635 0.12500000000000 0.53736419229232 15.999 > 4 16 O 0.10043575212635 0.62500000000000 0.53736419229232 15.999 > 4 *17 O 0.27546536496980 0.00060103366889 0.42916018706276 15.999 > 5 18 O 0.27546536496980 0.50060103366889 0.42916018706276 15.999 > 5 19 O 0.27546536496980 0.00060103366889 0.92916018706276 15.999 > 5 20 O 0.27546536496980 0.50060103366889 0.92916018706276 15.999 > 5 21 O 0.72453463503020 0.25060103366889 0.07083981293724 15.999 > 6 22 O 0.72453463503020 0.75060103366889 0.07083981293724 15.999 > 6 23 O 0.72453463503020 0.25060103366889 0.57083981293724 15.999 > 6 24 O 0.72453463503020 0.75060103366889 0.57083981293724 15.999 > 6 25 O 0.22453463503020 0.49939896633111 0.17916018706276 15.999 > 7 26 O 0.22453463503020 0.99939896633111 0.17916018706276 15.999 > 7 27 O 0.22453463503020 0.49939896633111 0.67916018706276 15.999 > 7 28 O 0.22453463503020 0.99939896633111 0.67916018706276 15.999 > 7 29 O 0.77546536496980 0.24939896633111 0.32083981293724 15.999 > 8 30 O 0.77546536496980 0.74939896633111 0.32083981293724 15.999 > 8 31 O 0.77546536496980 0.24939896633111 0.82083981293724 15.999 > 8 32 O 0.77546536496980 0.74939896633111 0.82083981293724 15.999 > 8 33 O 0.72453463503020 0.49939896633111 0.07083981293724 15.999 > 9 34 O 0.72453463503020 0.99939896633111 0.07083981293724 15.999 > 9 35 O 0.72453463503020 0.49939896633111 0.57083981293724 15.999 > 9 36 O 0.72453463503020 0.99939896633111 0.57083981293724 15.999 > 9 37 O 0.27546536496980 0.24939896633111 0.42916018706276 15.999 > 10 38 O 0.27546536496980 0.74939896633111 0.42916018706276 15.999 > 10 39 O 0.27546536496980 0.24939896633111 0.92916018706276 15.999 > 10 40 O 0.27546536496980 0.74939896633111 0.92916018706276 15.999 > 10 41 O 0.77546536496980 0.00060103366889 0.32083981293724 15.999 > 11 42 O 0.77546536496980 0.50060103366889 0.32083981293724 15.999 > 11 43 O 0.77546536496980 0.00060103366889 0.82083981293724 15.999 > 11 44 O 0.77546536496980 0.50060103366889 0.82083981293724 15.999 > 11 45 O 0.22453463503020 0.25060103366889 0.17916018706276 15.999 > 12 46 O 0.22453463503020 0.75060103366889 0.17916018706276 15.999 > 12 47 O 0.22453463503020 0.25060103366889 0.67916018706276 15.999 > 12 48 O 0.22453463503020 0.75060103366889 0.67916018706276 15.999 > 12 *49 O 0.06526863610479 0.24865487265337 0.33307714153089 15.999 > 13 50 O 0.06526863610479 0.74865487265337 0.33307714153089 15.999 > 13 51 O 0.06526863610479 0.24865487265337 0.83307714153089 15.999 > 13 52 O 0.06526863610479 0.74865487265337 0.83307714153089 15.999 > 13 53 O 0.93473136389521 0.49865487265337 0.16692285846911 15.999 > 14 54 O 0.93473136389521 0.99865487265337 0.16692285846911 15.999 > 14 55 O 0.93473136389521 0.49865487265337 0.66692285846911 15.999 > 14 56 O 0.93473136389521 0.99865487265337 0.66692285846911 15.999 > 14 57 O 0.43473136389521 0.25134512734663 0.08307714153089 15.999 > 15 58 O 0.43473136389521 0.75134512734663 0.08307714153089 15.999 > 15 59 O 0.43473136389521 0.25134512734663 0.58307714153089 15.999 > 15 60 O 0.43473136389521 0.75134512734663 0.58307714153089 15.999 > 15 61 O 0.56526863610479 0.00134512734663 0.41692285846911 15.999 > 16 62 O 0.56526863610479 0.50134512734663 0.41692285846911 15.999 > 16 63 O 0.56526863610479 0.00134512734663 0.91692285846911 15.999 > 16 64 O 0.56526863610479 0.50134512734663 0.91692285846911 15.999 > 16 65 O 0.43473136389521 0.49865487265337 0.08307714153089 15.999 > 17 66 O 0.43473136389521 0.99865487265337 0.08307714153089 15.999 > 17 67 O 0.43473136389521 0.49865487265337 0.58307714153089 15.999 > 17 68 O 0.43473136389521 0.99865487265337 0.58307714153089 15.999 > 17 69 O 0.56526863610479 0.24865487265337 0.41692285846911 15.999 > 18 70 O 0.56526863610479 0.74865487265337 0.41692285846911 15.999 > 18 71 O 0.56526863610479 0.24865487265337 0.91692285846911 15.999 > 18 72 O 0.56526863610479 0.74865487265337 0.91692285846911 15.999 > 18 73 O 0.06526863610479 0.00134512734663 0.33307714153089 15.999 > 19 74 O 0.06526863610479 0.50134512734663 0.33307714153089 15.999 > 19 75 O 0.06526863610479 0.00134512734663 0.83307714153089 15.999 > 19 76 O 0.06526863610479 0.50134512734663 0.83307714153089 15.999 > 19 77 O 0.93473136389521 0.25134512734663 0.16692285846911 15.999 > 20 78 O 0.93473136389521 0.75134512734663 0.16692285846911 15.999 > 20 79 O 0.93473136389521 0.25134512734663 0.66692285846911 15.999 > 20 80 O 0.93473136389521 0.75134512734663 0.66692285846911 15.999 > 20 *81 Zn 0.15062340485335 0.12500000000000 0.40453811086556 65.380 > 21 82 Zn 0.15062340485335 0.62500000000000 0.40453811086556 65.380 > 21 83 Zn 0.15062340485335 0.12500000000000 0.90453811086556 65.380 > 21 84 Zn 0.15062340485335 0.62500000000000 0.90453811086556 65.380 > 21 85 Zn 0.34937659514665 0.37500000000000 0.15453811086556 65.380 > 22 86 Zn 0.34937659514665 0.87500000000000 0.15453811086556 65.380 > 22 87 Zn 0.34937659514665 0.37500000000000 0.65453811086556 65.380 > 22 88 Zn 0.34937659514665 0.87500000000000 0.65453811086556 65.380 > 22 89 Zn 0.65062340485335 0.12500000000000 0.34546188913444 65.380 > 23 90 Zn 0.65062340485335 0.62500000000000 0.34546188913444 65.380 > 23 91 Zn 0.65062340485335 0.12500000000000 0.84546188913444 65.380 > 23 92 Zn 0.65062340485335 0.62500000000000 0.84546188913444 65.380 > 23 93 Zn 0.84937659514665 0.37500000000000 0.09546188913444 65.380 > 24 94 Zn 0.84937659514665 0.87500000000000 0.09546188913444 65.380 > 24 95 Zn 0.84937659514665 0.37500000000000 0.59546188913444 65.380 > 24 96 Zn 0.84937659514665 0.87500000000000 0.59546188913444 65.380 > 24 *97 Ba 0.60044238208507 0.37500000000000 0.21148084441525 137.327 > 25 98 Ba 0.60044238208507 0.87500000000000 0.21148084441525 137.327 > 25 99 Ba 0.60044238208507 0.37500000000000 0.71148084441525 137.327 > 25 100 Ba 0.60044238208507 0.87500000000000 0.71148084441525 137.327 > 25 101 Ba 0.10044238208507 0.37500000000000 0.03851915558475 137.327 > 26 102 Ba 0.10044238208507 0.87500000000000 0.03851915558475 137.327 > 26 103 Ba 0.10044238208507 0.37500000000000 0.53851915558475 137.327 > 26 104 Ba 0.10044238208507 0.87500000000000 0.53851915558475 137.327 > 26 105 Ba 0.39955761791493 0.12500000000000 0.28851915558475 137.327 > 27 106 Ba 0.39955761791493 0.62500000000000 0.28851915558475 137.327 > 27 107 Ba 0.39955761791493 0.12500000000000 0.78851915558475 137.327 > 27 108 Ba 0.39955761791493 0.62500000000000 0.78851915558475 137.327 > 27 109 Ba 0.89955761791493 0.12500000000000 0.46148084441525 137.327 > 28 110 Ba 0.89955761791493 0.62500000000000 0.46148084441525 137.327 > 28 111 Ba 0.89955761791493 0.12500000000000 0.96148084441525 137.327 > 28 112 Ba 0.89955761791493 0.62500000000000 0.96148084441525 137.327 > 28 *113 Tb 0.29233493035617 0.12500000000000 0.05993349635370 158.925 > 29 114 Tb 0.29233493035617 0.62500000000000 0.05993349635370 158.925 > 29 115 Tb 0.29233493035617 0.12500000000000 0.55993349635370 158.925 > 29 116 Tb 0.29233493035617 0.62500000000000 0.55993349635370 158.925 > 29 117 Tb 0.70766506964383 0.37500000000000 0.44006650364630 158.925 > 30 118 Tb 0.70766506964383 0.87500000000000 0.44006650364630 158.925 > 30 119 Tb 0.70766506964383 0.37500000000000 0.94006650364630 158.925 > 30 120 Tb 0.70766506964383 0.87500000000000 0.94006650364630 158.925 > 30 121 Tb 0.20766506964383 0.37500000000000 0.30993349635370 158.925 > 31 122 Tb 0.20766506964383 0.87500000000000 0.30993349635370 158.925 > 31 123 Tb 0.20766506964383 0.37500000000000 0.80993349635370 158.925 > 31 124 Tb 0.20766506964383 0.87500000000000 0.80993349635370 158.925 > 31 125 Tb 0.79233493035617 0.12500000000000 0.19006650364630 158.925 > 32 126 Tb 0.79233493035617 0.62500000000000 0.19006650364630 158.925 > 32 127 Tb 0.79233493035617 0.12500000000000 0.69006650364630 158.925 > 32 128 Tb 0.79233493035617 0.62500000000000 0.69006650364630 158.925 > 32 *129 Tb 0.07470980988950 0.12500000000000 0.20028045809523 158.925 > 33 130 Tb 0.07470980988950 0.62500000000000 0.20028045809523 158.925 > 33 131 Tb 0.07470980988950 0.12500000000000 0.70028045809523 158.925 > 33 132 Tb 0.07470980988950 0.62500000000000 0.70028045809523 158.925 > 33 133 Tb 0.92529019011050 0.37500000000000 0.29971954190477 158.925 > 34 134 Tb 0.92529019011050 0.87500000000000 0.29971954190477 158.925 > 34 135 Tb 0.92529019011050 0.37500000000000 0.79971954190477 158.925 > 34 136 Tb 0.92529019011050 0.87500000000000 0.79971954190477 158.925 > 34 137 Tb 0.42529019011050 0.37500000000000 0.45028045809523 158.925 > 35 138 Tb 0.42529019011050 0.87500000000000 0.45028045809523 158.925 > 35 139 Tb 0.42529019011050 0.37500000000000 0.95028045809523 158.925 > 35 140 Tb 0.42529019011050 0.87500000000000 0.95028045809523 158.925 > 35 141 Tb 0.57470980988950 0.12500000000000 0.04971954190477 158.925 > 36 142 Tb 0.57470980988950 0.62500000000000 0.04971954190477 158.925 > 36 143 Tb 0.57470980988950 0.12500000000000 0.54971954190477 158.925 > 36 144 Tb 0.57470980988950 0.62500000000000 0.54971954190477 158.925 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7215953 0.0000000 0.0000000 0.0000000 4.6668143 0.0000000 0.0000000 0.0000000 4.6001030 -------------------------- Born effective charges -------------------------- 1 O -2.5855852 0.0000000 -0.0572908 0.0000000 -2.0420577 0.0000000 -0.0312264 0.0000000 -2.8813948 2 O -2.5855852 0.0000000 -0.0572908 0.0000000 -2.0420577 0.0000000 -0.0312264 0.0000000 -2.8813948 3 O -2.5855852 0.0000000 0.0572908 0.0000000 -2.0420577 0.0000000 0.0312264 0.0000000 -2.8813948 4 O -2.5855852 0.0000000 0.0572908 0.0000000 -2.0420577 0.0000000 0.0312264 0.0000000 -2.8813948 5 O -2.3932135 0.2861702 -0.1865234 0.2794399 -2.7082021 -0.4935104 -0.2059354 -0.4572633 -2.4855626 6 O -2.3932135 -0.2861702 -0.1865234 -0.2794399 -2.7082021 0.4935104 -0.2059354 0.4572633 -2.4855626 7 O -2.3932135 0.2861702 0.1865234 0.2794399 -2.7082021 0.4935104 0.2059354 0.4572633 -2.4855626 8 O -2.3932135 -0.2861702 0.1865234 -0.2794399 -2.7082021 -0.4935104 0.2059354 -0.4572633 -2.4855626 9 O -2.3932135 0.2861702 -0.1865234 0.2794399 -2.7082021 -0.4935104 -0.2059354 -0.4572633 -2.4855626 10 O -2.3932135 -0.2861702 -0.1865234 -0.2794399 -2.7082021 0.4935104 -0.2059354 0.4572633 -2.4855626 11 O -2.3932135 0.2861702 0.1865234 0.2794399 -2.7082021 0.4935104 0.2059354 0.4572633 -2.4855626 12 O -2.3932135 -0.2861702 0.1865234 -0.2794399 -2.7082021 -0.4935104 0.2059354 -0.4572633 -2.4855626 13 O -2.6073584 0.1270744 -0.1728211 0.1747433 -2.6282632 0.0156877 -0.0815910 -0.0185106 -2.1242950 14 O -2.6073584 -0.1270744 -0.1728211 -0.1747433 -2.6282632 -0.0156877 -0.0815910 0.0185106 -2.1242950 15 O -2.6073584 0.1270744 0.1728211 0.1747433 -2.6282632 -0.0156877 0.0815910 0.0185106 -2.1242950 16 O -2.6073584 -0.1270744 0.1728211 -0.1747433 -2.6282632 0.0156877 0.0815910 -0.0185106 -2.1242950 17 O -2.6073584 -0.1270744 0.1728211 -0.1747433 -2.6282632 0.0156877 0.0815910 -0.0185106 -2.1242950 18 O -2.6073584 0.1270744 0.1728211 0.1747433 -2.6282632 -0.0156877 0.0815910 0.0185106 -2.1242950 19 O -2.6073584 -0.1270744 -0.1728211 -0.1747433 -2.6282632 -0.0156877 -0.0815910 0.0185106 -2.1242950 20 O -2.6073584 0.1270744 -0.1728211 0.1747433 -2.6282632 0.0156877 -0.0815910 -0.0185106 -2.1242950 21 Zn 2.0106285 0.0000000 0.3119060 0.0000000 2.3292037 0.0000000 0.2902115 0.0000000 1.8711576 22 Zn 2.0106285 0.0000000 -0.3119060 0.0000000 2.3292037 0.0000000 -0.2902115 0.0000000 1.8711576 23 Zn 2.0106285 0.0000000 -0.3119060 0.0000000 2.3292037 0.0000000 -0.2902115 0.0000000 1.8711576 24 Zn 2.0106285 0.0000000 0.3119060 0.0000000 2.3292037 0.0000000 0.2902115 0.0000000 1.8711576 25 Ba 2.8778641 0.0000000 -0.1357711 0.0000000 2.8935381 0.0000000 -0.0918825 0.0000000 2.6094719 26 Ba 2.8778641 0.0000000 0.1357711 0.0000000 2.8935381 0.0000000 0.0918825 0.0000000 2.6094719 27 Ba 2.8778641 0.0000000 -0.1357711 0.0000000 2.8935381 0.0000000 -0.0918825 0.0000000 2.6094719 28 Ba 2.8778641 0.0000000 0.1357711 0.0000000 2.8935381 0.0000000 0.0918825 0.0000000 2.6094719 29 Tb 3.6720367 0.0000000 0.0589870 0.0000000 3.7637444 0.0000000 0.0825372 0.0000000 3.8027058 30 Tb 3.6720367 0.0000000 0.0589870 0.0000000 3.7637444 0.0000000 0.0825372 0.0000000 3.8027058 31 Tb 3.6720367 0.0000000 -0.0589870 0.0000000 3.7637444 0.0000000 -0.0825372 0.0000000 3.8027058 32 Tb 3.6720367 0.0000000 -0.0589870 0.0000000 3.7637444 0.0000000 -0.0825372 0.0000000 3.8027058 33 Tb 4.0261997 0.0000000 -0.0027384 0.0000000 3.7285022 0.0000000 -0.1163231 0.0000000 3.8177747 34 Tb 4.0261997 0.0000000 -0.0027384 0.0000000 3.7285022 0.0000000 -0.1163231 0.0000000 3.8177747 35 Tb 4.0261997 0.0000000 0.0027384 0.0000000 3.7285022 0.0000000 0.1163231 0.0000000 3.8177747 36 Tb 4.0261997 0.0000000 0.0027384 0.0000000 3.7285022 0.0000000 0.1163231 0.0000000 3.8177747 ---------------------------------------------------------------------------- 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) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 748 / 748 (1) 236 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 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, 12), data: (748, 26) @ (26, 12) |-- (248, 236), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 560 - Time: 0.991 Solver_block: 200 / 560 - Time: 0.908 Solver_block: 300 / 560 - Time: 0.904 Solver_block: 400 / 560 - Time: 0.918 Solver_block: 500 / 560 - Time: 0.909 Solver_block: 560 / 560 - Time: 0.600 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.352 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) 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) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 748 / 748 (1) 236 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 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, 12), data: (748, 26) @ (26, 12) |-- (248, 236), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:07:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:07:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.319301950000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.701292489999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.058367559999999 Atomic positions (fractional): 1 O 0.60043575212635 0.25000000000000 0.42527161541535 15.999 2 O 0.39956424787365 0.75000000000000 0.57472838458465 15.999 3 O 0.89956424787365 0.75000000000000 0.92527161541535 15.999 4 O 0.10043575212635 0.25000000000000 0.07472838458465 15.999 5 O 0.27546536496980 0.00120206733778 0.85832037412552 15.999 6 O 0.72453463503020 0.50120206733778 0.14167962587448 15.999 7 O 0.22453463503020 0.99879793266222 0.35832037412552 15.999 8 O 0.77546536496980 0.49879793266222 0.64167962587448 15.999 9 O 0.72453463503020 0.99879793266222 0.14167962587448 15.999 10 O 0.27546536496980 0.49879793266222 0.85832037412552 15.999 11 O 0.77546536496980 0.00120206733778 0.64167962587448 15.999 12 O 0.22453463503020 0.50120206733778 0.35832037412552 15.999 13 O 0.06526863610479 0.49730974530674 0.66615428306179 15.999 14 O 0.93473136389521 0.99730974530674 0.33384571693821 15.999 15 O 0.43473136389521 0.50269025469326 0.16615428306179 15.999 16 O 0.56526863610479 0.00269025469326 0.83384571693821 15.999 17 O 0.43473136389521 0.99730974530674 0.16615428306179 15.999 18 O 0.56526863610479 0.49730974530674 0.83384571693821 15.999 19 O 0.06526863610479 0.00269025469326 0.66615428306179 15.999 20 O 0.93473136389521 0.50269025469326 0.33384571693821 15.999 21 Zn 0.15062340485335 0.25000000000000 0.80907622173112 65.380 22 Zn 0.34937659514665 0.75000000000000 0.30907622173112 65.380 23 Zn 0.65062340485335 0.25000000000000 0.69092377826888 65.380 24 Zn 0.84937659514665 0.75000000000000 0.19092377826888 65.380 25 Ba 0.60044238208507 0.75000000000000 0.42296168883050 137.327 26 Ba 0.10044238208507 0.75000000000000 0.07703831116950 137.327 27 Ba 0.39955761791493 0.25000000000000 0.57703831116950 137.327 28 Ba 0.89955761791493 0.25000000000000 0.92296168883050 137.327 29 Tb 0.29233493035617 0.25000000000000 0.11986699270739 158.925 30 Tb 0.70766506964383 0.75000000000000 0.88013300729261 158.925 31 Tb 0.20766506964383 0.75000000000000 0.61986699270739 158.925 32 Tb 0.79233493035617 0.25000000000000 0.38013300729261 158.925 33 Tb 0.07470980988950 0.25000000000000 0.40056091619046 158.925 34 Tb 0.92529019011050 0.75000000000000 0.59943908380954 158.925 35 Tb 0.42529019011050 0.75000000000000 0.90056091619046 158.925 36 Tb 0.57470980988950 0.25000000000000 0.09943908380954 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.319301950000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.402584979999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.116735119999998 Atomic positions (fractional): 1 O 0.60043575212635 0.12500000000000 0.21263580770768 15.999 > 1 2 O 0.60043575212635 0.62500000000000 0.21263580770768 15.999 > 1 3 O 0.60043575212635 0.12500000000000 0.71263580770768 15.999 > 1 4 O 0.60043575212635 0.62500000000000 0.71263580770768 15.999 > 1 5 O 0.39956424787365 0.37500000000000 0.28736419229232 15.999 > 5 6 O 0.39956424787365 0.87500000000000 0.28736419229232 15.999 > 5 7 O 0.39956424787365 0.37500000000000 0.78736419229232 15.999 > 5 8 O 0.39956424787365 0.87500000000000 0.78736419229232 15.999 > 5 9 O 0.89956424787365 0.37500000000000 0.46263580770768 15.999 > 9 10 O 0.89956424787365 0.87500000000000 0.46263580770768 15.999 > 9 11 O 0.89956424787365 0.37500000000000 0.96263580770768 15.999 > 9 12 O 0.89956424787365 0.87500000000000 0.96263580770768 15.999 > 9 13 O 0.10043575212635 0.12500000000000 0.03736419229232 15.999 > 13 14 O 0.10043575212635 0.62500000000000 0.03736419229232 15.999 > 13 15 O 0.10043575212635 0.12500000000000 0.53736419229232 15.999 > 13 16 O 0.10043575212635 0.62500000000000 0.53736419229232 15.999 > 13 17 O 0.27546536496980 0.00060103366889 0.42916018706276 15.999 > 17 18 O 0.27546536496980 0.50060103366889 0.42916018706276 15.999 > 17 19 O 0.27546536496980 0.00060103366889 0.92916018706276 15.999 > 17 20 O 0.27546536496980 0.50060103366889 0.92916018706276 15.999 > 17 21 O 0.72453463503020 0.25060103366889 0.07083981293724 15.999 > 21 22 O 0.72453463503020 0.75060103366889 0.07083981293724 15.999 > 21 23 O 0.72453463503020 0.25060103366889 0.57083981293724 15.999 > 21 24 O 0.72453463503020 0.75060103366889 0.57083981293724 15.999 > 21 25 O 0.22453463503020 0.49939896633111 0.17916018706276 15.999 > 25 26 O 0.22453463503020 0.99939896633111 0.17916018706276 15.999 > 25 27 O 0.22453463503020 0.49939896633111 0.67916018706276 15.999 > 25 28 O 0.22453463503020 0.99939896633111 0.67916018706276 15.999 > 25 29 O 0.77546536496980 0.24939896633111 0.32083981293724 15.999 > 29 30 O 0.77546536496980 0.74939896633111 0.32083981293724 15.999 > 29 31 O 0.77546536496980 0.24939896633111 0.82083981293724 15.999 > 29 32 O 0.77546536496980 0.74939896633111 0.82083981293724 15.999 > 29 33 O 0.72453463503020 0.49939896633111 0.07083981293724 15.999 > 33 34 O 0.72453463503020 0.99939896633111 0.07083981293724 15.999 > 33 35 O 0.72453463503020 0.49939896633111 0.57083981293724 15.999 > 33 36 O 0.72453463503020 0.99939896633111 0.57083981293724 15.999 > 33 37 O 0.27546536496980 0.24939896633111 0.42916018706276 15.999 > 37 38 O 0.27546536496980 0.74939896633111 0.42916018706276 15.999 > 37 39 O 0.27546536496980 0.24939896633111 0.92916018706276 15.999 > 37 40 O 0.27546536496980 0.74939896633111 0.92916018706276 15.999 > 37 41 O 0.77546536496980 0.00060103366889 0.32083981293724 15.999 > 41 42 O 0.77546536496980 0.50060103366889 0.32083981293724 15.999 > 41 43 O 0.77546536496980 0.00060103366889 0.82083981293724 15.999 > 41 44 O 0.77546536496980 0.50060103366889 0.82083981293724 15.999 > 41 45 O 0.22453463503020 0.25060103366889 0.17916018706276 15.999 > 45 46 O 0.22453463503020 0.75060103366889 0.17916018706276 15.999 > 45 47 O 0.22453463503020 0.25060103366889 0.67916018706276 15.999 > 45 48 O 0.22453463503020 0.75060103366889 0.67916018706276 15.999 > 45 49 O 0.06526863610479 0.24865487265337 0.33307714153089 15.999 > 49 50 O 0.06526863610479 0.74865487265337 0.33307714153089 15.999 > 49 51 O 0.06526863610479 0.24865487265337 0.83307714153089 15.999 > 49 52 O 0.06526863610479 0.74865487265337 0.83307714153089 15.999 > 49 53 O 0.93473136389521 0.49865487265337 0.16692285846911 15.999 > 53 54 O 0.93473136389521 0.99865487265337 0.16692285846911 15.999 > 53 55 O 0.93473136389521 0.49865487265337 0.66692285846911 15.999 > 53 56 O 0.93473136389521 0.99865487265337 0.66692285846911 15.999 > 53 57 O 0.43473136389521 0.25134512734663 0.08307714153089 15.999 > 57 58 O 0.43473136389521 0.75134512734663 0.08307714153089 15.999 > 57 59 O 0.43473136389521 0.25134512734663 0.58307714153089 15.999 > 57 60 O 0.43473136389521 0.75134512734663 0.58307714153089 15.999 > 57 61 O 0.56526863610479 0.00134512734663 0.41692285846911 15.999 > 61 62 O 0.56526863610479 0.50134512734663 0.41692285846911 15.999 > 61 63 O 0.56526863610479 0.00134512734663 0.91692285846911 15.999 > 61 64 O 0.56526863610479 0.50134512734663 0.91692285846911 15.999 > 61 65 O 0.43473136389521 0.49865487265337 0.08307714153089 15.999 > 65 66 O 0.43473136389521 0.99865487265337 0.08307714153089 15.999 > 65 67 O 0.43473136389521 0.49865487265337 0.58307714153089 15.999 > 65 68 O 0.43473136389521 0.99865487265337 0.58307714153089 15.999 > 65 69 O 0.56526863610479 0.24865487265337 0.41692285846911 15.999 > 69 70 O 0.56526863610479 0.74865487265337 0.41692285846911 15.999 > 69 71 O 0.56526863610479 0.24865487265337 0.91692285846911 15.999 > 69 72 O 0.56526863610479 0.74865487265337 0.91692285846911 15.999 > 69 73 O 0.06526863610479 0.00134512734663 0.33307714153089 15.999 > 73 74 O 0.06526863610479 0.50134512734663 0.33307714153089 15.999 > 73 75 O 0.06526863610479 0.00134512734663 0.83307714153089 15.999 > 73 76 O 0.06526863610479 0.50134512734663 0.83307714153089 15.999 > 73 77 O 0.93473136389521 0.25134512734663 0.16692285846911 15.999 > 77 78 O 0.93473136389521 0.75134512734663 0.16692285846911 15.999 > 77 79 O 0.93473136389521 0.25134512734663 0.66692285846911 15.999 > 77 80 O 0.93473136389521 0.75134512734663 0.66692285846911 15.999 > 77 81 Zn 0.15062340485335 0.12500000000000 0.40453811086556 65.380 > 81 82 Zn 0.15062340485335 0.62500000000000 0.40453811086556 65.380 > 81 83 Zn 0.15062340485335 0.12500000000000 0.90453811086556 65.380 > 81 84 Zn 0.15062340485335 0.62500000000000 0.90453811086556 65.380 > 81 85 Zn 0.34937659514665 0.37500000000000 0.15453811086556 65.380 > 85 86 Zn 0.34937659514665 0.87500000000000 0.15453811086556 65.380 > 85 87 Zn 0.34937659514665 0.37500000000000 0.65453811086556 65.380 > 85 88 Zn 0.34937659514665 0.87500000000000 0.65453811086556 65.380 > 85 89 Zn 0.65062340485335 0.12500000000000 0.34546188913444 65.380 > 89 90 Zn 0.65062340485335 0.62500000000000 0.34546188913444 65.380 > 89 91 Zn 0.65062340485335 0.12500000000000 0.84546188913444 65.380 > 89 92 Zn 0.65062340485335 0.62500000000000 0.84546188913444 65.380 > 89 93 Zn 0.84937659514665 0.37500000000000 0.09546188913444 65.380 > 93 94 Zn 0.84937659514665 0.87500000000000 0.09546188913444 65.380 > 93 95 Zn 0.84937659514665 0.37500000000000 0.59546188913444 65.380 > 93 96 Zn 0.84937659514665 0.87500000000000 0.59546188913444 65.380 > 93 97 Ba 0.60044238208507 0.37500000000000 0.21148084441525 137.327 > 97 98 Ba 0.60044238208507 0.87500000000000 0.21148084441525 137.327 > 97 99 Ba 0.60044238208507 0.37500000000000 0.71148084441525 137.327 > 97 100 Ba 0.60044238208507 0.87500000000000 0.71148084441525 137.327 > 97 101 Ba 0.10044238208507 0.37500000000000 0.03851915558475 137.327 > 101 102 Ba 0.10044238208507 0.87500000000000 0.03851915558475 137.327 > 101 103 Ba 0.10044238208507 0.37500000000000 0.53851915558475 137.327 > 101 104 Ba 0.10044238208507 0.87500000000000 0.53851915558475 137.327 > 101 105 Ba 0.39955761791493 0.12500000000000 0.28851915558475 137.327 > 105 106 Ba 0.39955761791493 0.62500000000000 0.28851915558475 137.327 > 105 107 Ba 0.39955761791493 0.12500000000000 0.78851915558475 137.327 > 105 108 Ba 0.39955761791493 0.62500000000000 0.78851915558475 137.327 > 105 109 Ba 0.89955761791493 0.12500000000000 0.46148084441525 137.327 > 109 110 Ba 0.89955761791493 0.62500000000000 0.46148084441525 137.327 > 109 111 Ba 0.89955761791493 0.12500000000000 0.96148084441525 137.327 > 109 112 Ba 0.89955761791493 0.62500000000000 0.96148084441525 137.327 > 109 113 Tb 0.29233493035617 0.12500000000000 0.05993349635370 158.925 > 113 114 Tb 0.29233493035617 0.62500000000000 0.05993349635370 158.925 > 113 115 Tb 0.29233493035617 0.12500000000000 0.55993349635370 158.925 > 113 116 Tb 0.29233493035617 0.62500000000000 0.55993349635370 158.925 > 113 117 Tb 0.70766506964383 0.37500000000000 0.44006650364630 158.925 > 117 118 Tb 0.70766506964383 0.87500000000000 0.44006650364630 158.925 > 117 119 Tb 0.70766506964383 0.37500000000000 0.94006650364630 158.925 > 117 120 Tb 0.70766506964383 0.87500000000000 0.94006650364630 158.925 > 117 121 Tb 0.20766506964383 0.37500000000000 0.30993349635370 158.925 > 121 122 Tb 0.20766506964383 0.87500000000000 0.30993349635370 158.925 > 121 123 Tb 0.20766506964383 0.37500000000000 0.80993349635370 158.925 > 121 124 Tb 0.20766506964383 0.87500000000000 0.80993349635370 158.925 > 121 125 Tb 0.79233493035617 0.12500000000000 0.19006650364630 158.925 > 125 126 Tb 0.79233493035617 0.62500000000000 0.19006650364630 158.925 > 125 127 Tb 0.79233493035617 0.12500000000000 0.69006650364630 158.925 > 125 128 Tb 0.79233493035617 0.62500000000000 0.69006650364630 158.925 > 125 129 Tb 0.07470980988950 0.12500000000000 0.20028045809523 158.925 > 129 130 Tb 0.07470980988950 0.62500000000000 0.20028045809523 158.925 > 129 131 Tb 0.07470980988950 0.12500000000000 0.70028045809523 158.925 > 129 132 Tb 0.07470980988950 0.62500000000000 0.70028045809523 158.925 > 129 133 Tb 0.92529019011050 0.37500000000000 0.29971954190477 158.925 > 133 134 Tb 0.92529019011050 0.87500000000000 0.29971954190477 158.925 > 133 135 Tb 0.92529019011050 0.37500000000000 0.79971954190477 158.925 > 133 136 Tb 0.92529019011050 0.87500000000000 0.79971954190477 158.925 > 133 137 Tb 0.42529019011050 0.37500000000000 0.45028045809523 158.925 > 137 138 Tb 0.42529019011050 0.87500000000000 0.45028045809523 158.925 > 137 139 Tb 0.42529019011050 0.37500000000000 0.95028045809523 158.925 > 137 140 Tb 0.42529019011050 0.87500000000000 0.95028045809523 158.925 > 137 141 Tb 0.57470980988950 0.12500000000000 0.04971954190477 158.925 > 141 142 Tb 0.57470980988950 0.62500000000000 0.04971954190477 158.925 > 141 143 Tb 0.57470980988950 0.12500000000000 0.54971954190477 158.925 > 141 144 Tb 0.57470980988950 0.62500000000000 0.54971954190477 158.925 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7215953 0.0000000 0.0000000 0.0000000 4.6668143 0.0000000 0.0000000 0.0000000 4.6001030 -------------------------- Born effective charges -------------------------- 1 O -2.5855852 0.0000000 -0.0572908 0.0000000 -2.0420577 0.0000000 -0.0312264 0.0000000 -2.8813948 2 O -2.5855852 0.0000000 -0.0572908 0.0000000 -2.0420577 0.0000000 -0.0312264 0.0000000 -2.8813948 3 O -2.5855852 0.0000000 0.0572908 0.0000000 -2.0420577 0.0000000 0.0312264 0.0000000 -2.8813948 4 O -2.5855852 0.0000000 0.0572908 0.0000000 -2.0420577 0.0000000 0.0312264 0.0000000 -2.8813948 5 O -2.3932135 0.2861702 -0.1865234 0.2794399 -2.7082021 -0.4935104 -0.2059354 -0.4572633 -2.4855626 6 O -2.3932135 -0.2861702 -0.1865234 -0.2794399 -2.7082021 0.4935104 -0.2059354 0.4572633 -2.4855626 7 O -2.3932135 0.2861702 0.1865234 0.2794399 -2.7082021 0.4935104 0.2059354 0.4572633 -2.4855626 8 O -2.3932135 -0.2861702 0.1865234 -0.2794399 -2.7082021 -0.4935104 0.2059354 -0.4572633 -2.4855626 9 O -2.3932135 0.2861702 -0.1865234 0.2794399 -2.7082021 -0.4935104 -0.2059354 -0.4572633 -2.4855626 10 O -2.3932135 -0.2861702 -0.1865234 -0.2794399 -2.7082021 0.4935104 -0.2059354 0.4572633 -2.4855626 11 O -2.3932135 0.2861702 0.1865234 0.2794399 -2.7082021 0.4935104 0.2059354 0.4572633 -2.4855626 12 O -2.3932135 -0.2861702 0.1865234 -0.2794399 -2.7082021 -0.4935104 0.2059354 -0.4572633 -2.4855626 13 O -2.6073584 0.1270744 -0.1728211 0.1747433 -2.6282632 0.0156877 -0.0815910 -0.0185106 -2.1242950 14 O -2.6073584 -0.1270744 -0.1728211 -0.1747433 -2.6282632 -0.0156877 -0.0815910 0.0185106 -2.1242950 15 O -2.6073584 0.1270744 0.1728211 0.1747433 -2.6282632 -0.0156877 0.0815910 0.0185106 -2.1242950 16 O -2.6073584 -0.1270744 0.1728211 -0.1747433 -2.6282632 0.0156877 0.0815910 -0.0185106 -2.1242950 17 O -2.6073584 -0.1270744 0.1728211 -0.1747433 -2.6282632 0.0156877 0.0815910 -0.0185106 -2.1242950 18 O -2.6073584 0.1270744 0.1728211 0.1747433 -2.6282632 -0.0156877 0.0815910 0.0185106 -2.1242950 19 O -2.6073584 -0.1270744 -0.1728211 -0.1747433 -2.6282632 -0.0156877 -0.0815910 0.0185106 -2.1242950 20 O -2.6073584 0.1270744 -0.1728211 0.1747433 -2.6282632 0.0156877 -0.0815910 -0.0185106 -2.1242950 21 Zn 2.0106285 0.0000000 0.3119060 0.0000000 2.3292037 0.0000000 0.2902115 0.0000000 1.8711576 22 Zn 2.0106285 0.0000000 -0.3119060 0.0000000 2.3292037 0.0000000 -0.2902115 0.0000000 1.8711576 23 Zn 2.0106285 0.0000000 -0.3119060 0.0000000 2.3292037 0.0000000 -0.2902115 0.0000000 1.8711576 24 Zn 2.0106285 0.0000000 0.3119060 0.0000000 2.3292037 0.0000000 0.2902115 0.0000000 1.8711576 25 Ba 2.8778641 0.0000000 -0.1357711 0.0000000 2.8935381 0.0000000 -0.0918825 0.0000000 2.6094719 26 Ba 2.8778641 0.0000000 0.1357711 0.0000000 2.8935381 0.0000000 0.0918825 0.0000000 2.6094719 27 Ba 2.8778641 0.0000000 -0.1357711 0.0000000 2.8935381 0.0000000 -0.0918825 0.0000000 2.6094719 28 Ba 2.8778641 0.0000000 0.1357711 0.0000000 2.8935381 0.0000000 0.0918825 0.0000000 2.6094719 29 Tb 3.6720367 0.0000000 0.0589870 0.0000000 3.7637444 0.0000000 0.0825372 0.0000000 3.8027058 30 Tb 3.6720367 0.0000000 0.0589870 0.0000000 3.7637444 0.0000000 0.0825372 0.0000000 3.8027058 31 Tb 3.6720367 0.0000000 -0.0589870 0.0000000 3.7637444 0.0000000 -0.0825372 0.0000000 3.8027058 32 Tb 3.6720367 0.0000000 -0.0589870 0.0000000 3.7637444 0.0000000 -0.0825372 0.0000000 3.8027058 33 Tb 4.0261997 0.0000000 -0.0027384 0.0000000 3.7285022 0.0000000 -0.1163231 0.0000000 3.8177747 34 Tb 4.0261997 0.0000000 -0.0027384 0.0000000 3.7285022 0.0000000 -0.1163231 0.0000000 3.8177747 35 Tb 4.0261997 0.0000000 0.0027384 0.0000000 3.7285022 0.0000000 0.1163231 0.0000000 3.8177747 36 Tb 4.0261997 0.0000000 0.0027384 0.0000000 3.7285022 0.0000000 0.1163231 0.0000000 3.8177747 ---------------------------------------------------------------------------- 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[ 129, 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: 0.00000002 (yxy) 0.00000002 (yxy) 0.00000002 (yyx) 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 2026-01-08 04:07:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:07:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.319301950000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.701292489999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.058367559999999 Atomic positions (fractional): 1 O 0.60043575212635 0.25000000000000 0.42527161541535 15.999 2 O 0.39956424787365 0.75000000000000 0.57472838458465 15.999 3 O 0.89956424787365 0.75000000000000 0.92527161541535 15.999 4 O 0.10043575212635 0.25000000000000 0.07472838458465 15.999 5 O 0.27546536496980 0.00120206733778 0.85832037412552 15.999 6 O 0.72453463503020 0.50120206733778 0.14167962587448 15.999 7 O 0.22453463503020 0.99879793266222 0.35832037412552 15.999 8 O 0.77546536496980 0.49879793266222 0.64167962587448 15.999 9 O 0.72453463503020 0.99879793266222 0.14167962587448 15.999 10 O 0.27546536496980 0.49879793266222 0.85832037412552 15.999 11 O 0.77546536496980 0.00120206733778 0.64167962587448 15.999 12 O 0.22453463503020 0.50120206733778 0.35832037412552 15.999 13 O 0.06526863610479 0.49730974530674 0.66615428306179 15.999 14 O 0.93473136389521 0.99730974530674 0.33384571693821 15.999 15 O 0.43473136389521 0.50269025469326 0.16615428306179 15.999 16 O 0.56526863610479 0.00269025469326 0.83384571693821 15.999 17 O 0.43473136389521 0.99730974530674 0.16615428306179 15.999 18 O 0.56526863610479 0.49730974530674 0.83384571693821 15.999 19 O 0.06526863610479 0.00269025469326 0.66615428306179 15.999 20 O 0.93473136389521 0.50269025469326 0.33384571693821 15.999 21 Zn 0.15062340485335 0.25000000000000 0.80907622173112 65.380 22 Zn 0.34937659514665 0.75000000000000 0.30907622173112 65.380 23 Zn 0.65062340485335 0.25000000000000 0.69092377826888 65.380 24 Zn 0.84937659514665 0.75000000000000 0.19092377826888 65.380 25 Ba 0.60044238208507 0.75000000000000 0.42296168883050 137.327 26 Ba 0.10044238208507 0.75000000000000 0.07703831116950 137.327 27 Ba 0.39955761791493 0.25000000000000 0.57703831116950 137.327 28 Ba 0.89955761791493 0.25000000000000 0.92296168883050 137.327 29 Tb 0.29233493035617 0.25000000000000 0.11986699270739 158.925 30 Tb 0.70766506964383 0.75000000000000 0.88013300729261 158.925 31 Tb 0.20766506964383 0.75000000000000 0.61986699270739 158.925 32 Tb 0.79233493035617 0.25000000000000 0.38013300729261 158.925 33 Tb 0.07470980988950 0.25000000000000 0.40056091619046 158.925 34 Tb 0.92529019011050 0.75000000000000 0.59943908380954 158.925 35 Tb 0.42529019011050 0.75000000000000 0.90056091619046 158.925 36 Tb 0.57470980988950 0.25000000000000 0.09943908380954 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.319301950000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.402584979999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.116735119999998 Atomic positions (fractional): 1 O 0.60043575212635 0.12500000000000 0.21263580770768 15.999 > 1 2 O 0.60043575212635 0.62500000000000 0.21263580770768 15.999 > 1 3 O 0.60043575212635 0.12500000000000 0.71263580770768 15.999 > 1 4 O 0.60043575212635 0.62500000000000 0.71263580770768 15.999 > 1 5 O 0.39956424787365 0.37500000000000 0.28736419229232 15.999 > 5 6 O 0.39956424787365 0.87500000000000 0.28736419229232 15.999 > 5 7 O 0.39956424787365 0.37500000000000 0.78736419229232 15.999 > 5 8 O 0.39956424787365 0.87500000000000 0.78736419229232 15.999 > 5 9 O 0.89956424787365 0.37500000000000 0.46263580770768 15.999 > 9 10 O 0.89956424787365 0.87500000000000 0.46263580770768 15.999 > 9 11 O 0.89956424787365 0.37500000000000 0.96263580770768 15.999 > 9 12 O 0.89956424787365 0.87500000000000 0.96263580770768 15.999 > 9 13 O 0.10043575212635 0.12500000000000 0.03736419229232 15.999 > 13 14 O 0.10043575212635 0.62500000000000 0.03736419229232 15.999 > 13 15 O 0.10043575212635 0.12500000000000 0.53736419229232 15.999 > 13 16 O 0.10043575212635 0.62500000000000 0.53736419229232 15.999 > 13 17 O 0.27546536496980 0.00060103366889 0.42916018706276 15.999 > 17 18 O 0.27546536496980 0.50060103366889 0.42916018706276 15.999 > 17 19 O 0.27546536496980 0.00060103366889 0.92916018706276 15.999 > 17 20 O 0.27546536496980 0.50060103366889 0.92916018706276 15.999 > 17 21 O 0.72453463503020 0.25060103366889 0.07083981293724 15.999 > 21 22 O 0.72453463503020 0.75060103366889 0.07083981293724 15.999 > 21 23 O 0.72453463503020 0.25060103366889 0.57083981293724 15.999 > 21 24 O 0.72453463503020 0.75060103366889 0.57083981293724 15.999 > 21 25 O 0.22453463503020 0.49939896633111 0.17916018706276 15.999 > 25 26 O 0.22453463503020 0.99939896633111 0.17916018706276 15.999 > 25 27 O 0.22453463503020 0.49939896633111 0.67916018706276 15.999 > 25 28 O 0.22453463503020 0.99939896633111 0.67916018706276 15.999 > 25 29 O 0.77546536496980 0.24939896633111 0.32083981293724 15.999 > 29 30 O 0.77546536496980 0.74939896633111 0.32083981293724 15.999 > 29 31 O 0.77546536496980 0.24939896633111 0.82083981293724 15.999 > 29 32 O 0.77546536496980 0.74939896633111 0.82083981293724 15.999 > 29 33 O 0.72453463503020 0.49939896633111 0.07083981293724 15.999 > 33 34 O 0.72453463503020 0.99939896633111 0.07083981293724 15.999 > 33 35 O 0.72453463503020 0.49939896633111 0.57083981293724 15.999 > 33 36 O 0.72453463503020 0.99939896633111 0.57083981293724 15.999 > 33 37 O 0.27546536496980 0.24939896633111 0.42916018706276 15.999 > 37 38 O 0.27546536496980 0.74939896633111 0.42916018706276 15.999 > 37 39 O 0.27546536496980 0.24939896633111 0.92916018706276 15.999 > 37 40 O 0.27546536496980 0.74939896633111 0.92916018706276 15.999 > 37 41 O 0.77546536496980 0.00060103366889 0.32083981293724 15.999 > 41 42 O 0.77546536496980 0.50060103366889 0.32083981293724 15.999 > 41 43 O 0.77546536496980 0.00060103366889 0.82083981293724 15.999 > 41 44 O 0.77546536496980 0.50060103366889 0.82083981293724 15.999 > 41 45 O 0.22453463503020 0.25060103366889 0.17916018706276 15.999 > 45 46 O 0.22453463503020 0.75060103366889 0.17916018706276 15.999 > 45 47 O 0.22453463503020 0.25060103366889 0.67916018706276 15.999 > 45 48 O 0.22453463503020 0.75060103366889 0.67916018706276 15.999 > 45 49 O 0.06526863610479 0.24865487265337 0.33307714153089 15.999 > 49 50 O 0.06526863610479 0.74865487265337 0.33307714153089 15.999 > 49 51 O 0.06526863610479 0.24865487265337 0.83307714153089 15.999 > 49 52 O 0.06526863610479 0.74865487265337 0.83307714153089 15.999 > 49 53 O 0.93473136389521 0.49865487265337 0.16692285846911 15.999 > 53 54 O 0.93473136389521 0.99865487265337 0.16692285846911 15.999 > 53 55 O 0.93473136389521 0.49865487265337 0.66692285846911 15.999 > 53 56 O 0.93473136389521 0.99865487265337 0.66692285846911 15.999 > 53 57 O 0.43473136389521 0.25134512734663 0.08307714153089 15.999 > 57 58 O 0.43473136389521 0.75134512734663 0.08307714153089 15.999 > 57 59 O 0.43473136389521 0.25134512734663 0.58307714153089 15.999 > 57 60 O 0.43473136389521 0.75134512734663 0.58307714153089 15.999 > 57 61 O 0.56526863610479 0.00134512734663 0.41692285846911 15.999 > 61 62 O 0.56526863610479 0.50134512734663 0.41692285846911 15.999 > 61 63 O 0.56526863610479 0.00134512734663 0.91692285846911 15.999 > 61 64 O 0.56526863610479 0.50134512734663 0.91692285846911 15.999 > 61 65 O 0.43473136389521 0.49865487265337 0.08307714153089 15.999 > 65 66 O 0.43473136389521 0.99865487265337 0.08307714153089 15.999 > 65 67 O 0.43473136389521 0.49865487265337 0.58307714153089 15.999 > 65 68 O 0.43473136389521 0.99865487265337 0.58307714153089 15.999 > 65 69 O 0.56526863610479 0.24865487265337 0.41692285846911 15.999 > 69 70 O 0.56526863610479 0.74865487265337 0.41692285846911 15.999 > 69 71 O 0.56526863610479 0.24865487265337 0.91692285846911 15.999 > 69 72 O 0.56526863610479 0.74865487265337 0.91692285846911 15.999 > 69 73 O 0.06526863610479 0.00134512734663 0.33307714153089 15.999 > 73 74 O 0.06526863610479 0.50134512734663 0.33307714153089 15.999 > 73 75 O 0.06526863610479 0.00134512734663 0.83307714153089 15.999 > 73 76 O 0.06526863610479 0.50134512734663 0.83307714153089 15.999 > 73 77 O 0.93473136389521 0.25134512734663 0.16692285846911 15.999 > 77 78 O 0.93473136389521 0.75134512734663 0.16692285846911 15.999 > 77 79 O 0.93473136389521 0.25134512734663 0.66692285846911 15.999 > 77 80 O 0.93473136389521 0.75134512734663 0.66692285846911 15.999 > 77 81 Zn 0.15062340485335 0.12500000000000 0.40453811086556 65.380 > 81 82 Zn 0.15062340485335 0.62500000000000 0.40453811086556 65.380 > 81 83 Zn 0.15062340485335 0.12500000000000 0.90453811086556 65.380 > 81 84 Zn 0.15062340485335 0.62500000000000 0.90453811086556 65.380 > 81 85 Zn 0.34937659514665 0.37500000000000 0.15453811086556 65.380 > 85 86 Zn 0.34937659514665 0.87500000000000 0.15453811086556 65.380 > 85 87 Zn 0.34937659514665 0.37500000000000 0.65453811086556 65.380 > 85 88 Zn 0.34937659514665 0.87500000000000 0.65453811086556 65.380 > 85 89 Zn 0.65062340485335 0.12500000000000 0.34546188913444 65.380 > 89 90 Zn 0.65062340485335 0.62500000000000 0.34546188913444 65.380 > 89 91 Zn 0.65062340485335 0.12500000000000 0.84546188913444 65.380 > 89 92 Zn 0.65062340485335 0.62500000000000 0.84546188913444 65.380 > 89 93 Zn 0.84937659514665 0.37500000000000 0.09546188913444 65.380 > 93 94 Zn 0.84937659514665 0.87500000000000 0.09546188913444 65.380 > 93 95 Zn 0.84937659514665 0.37500000000000 0.59546188913444 65.380 > 93 96 Zn 0.84937659514665 0.87500000000000 0.59546188913444 65.380 > 93 97 Ba 0.60044238208507 0.37500000000000 0.21148084441525 137.327 > 97 98 Ba 0.60044238208507 0.87500000000000 0.21148084441525 137.327 > 97 99 Ba 0.60044238208507 0.37500000000000 0.71148084441525 137.327 > 97 100 Ba 0.60044238208507 0.87500000000000 0.71148084441525 137.327 > 97 101 Ba 0.10044238208507 0.37500000000000 0.03851915558475 137.327 > 101 102 Ba 0.10044238208507 0.87500000000000 0.03851915558475 137.327 > 101 103 Ba 0.10044238208507 0.37500000000000 0.53851915558475 137.327 > 101 104 Ba 0.10044238208507 0.87500000000000 0.53851915558475 137.327 > 101 105 Ba 0.39955761791493 0.12500000000000 0.28851915558475 137.327 > 105 106 Ba 0.39955761791493 0.62500000000000 0.28851915558475 137.327 > 105 107 Ba 0.39955761791493 0.12500000000000 0.78851915558475 137.327 > 105 108 Ba 0.39955761791493 0.62500000000000 0.78851915558475 137.327 > 105 109 Ba 0.89955761791493 0.12500000000000 0.46148084441525 137.327 > 109 110 Ba 0.89955761791493 0.62500000000000 0.46148084441525 137.327 > 109 111 Ba 0.89955761791493 0.12500000000000 0.96148084441525 137.327 > 109 112 Ba 0.89955761791493 0.62500000000000 0.96148084441525 137.327 > 109 113 Tb 0.29233493035617 0.12500000000000 0.05993349635370 158.925 > 113 114 Tb 0.29233493035617 0.62500000000000 0.05993349635370 158.925 > 113 115 Tb 0.29233493035617 0.12500000000000 0.55993349635370 158.925 > 113 116 Tb 0.29233493035617 0.62500000000000 0.55993349635370 158.925 > 113 117 Tb 0.70766506964383 0.37500000000000 0.44006650364630 158.925 > 117 118 Tb 0.70766506964383 0.87500000000000 0.44006650364630 158.925 > 117 119 Tb 0.70766506964383 0.37500000000000 0.94006650364630 158.925 > 117 120 Tb 0.70766506964383 0.87500000000000 0.94006650364630 158.925 > 117 121 Tb 0.20766506964383 0.37500000000000 0.30993349635370 158.925 > 121 122 Tb 0.20766506964383 0.87500000000000 0.30993349635370 158.925 > 121 123 Tb 0.20766506964383 0.37500000000000 0.80993349635370 158.925 > 121 124 Tb 0.20766506964383 0.87500000000000 0.80993349635370 158.925 > 121 125 Tb 0.79233493035617 0.12500000000000 0.19006650364630 158.925 > 125 126 Tb 0.79233493035617 0.62500000000000 0.19006650364630 158.925 > 125 127 Tb 0.79233493035617 0.12500000000000 0.69006650364630 158.925 > 125 128 Tb 0.79233493035617 0.62500000000000 0.69006650364630 158.925 > 125 129 Tb 0.07470980988950 0.12500000000000 0.20028045809523 158.925 > 129 130 Tb 0.07470980988950 0.62500000000000 0.20028045809523 158.925 > 129 131 Tb 0.07470980988950 0.12500000000000 0.70028045809523 158.925 > 129 132 Tb 0.07470980988950 0.62500000000000 0.70028045809523 158.925 > 129 133 Tb 0.92529019011050 0.37500000000000 0.29971954190477 158.925 > 133 134 Tb 0.92529019011050 0.87500000000000 0.29971954190477 158.925 > 133 135 Tb 0.92529019011050 0.37500000000000 0.79971954190477 158.925 > 133 136 Tb 0.92529019011050 0.87500000000000 0.79971954190477 158.925 > 133 137 Tb 0.42529019011050 0.37500000000000 0.45028045809523 158.925 > 137 138 Tb 0.42529019011050 0.87500000000000 0.45028045809523 158.925 > 137 139 Tb 0.42529019011050 0.37500000000000 0.95028045809523 158.925 > 137 140 Tb 0.42529019011050 0.87500000000000 0.95028045809523 158.925 > 137 141 Tb 0.57470980988950 0.12500000000000 0.04971954190477 158.925 > 141 142 Tb 0.57470980988950 0.62500000000000 0.04971954190477 158.925 > 141 143 Tb 0.57470980988950 0.12500000000000 0.54971954190477 158.925 > 141 144 Tb 0.57470980988950 0.62500000000000 0.54971954190477 158.925 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.7215953 0.0000000 0.0000000 0.0000000 4.6668143 0.0000000 0.0000000 0.0000000 4.6001030 -------------------------- Born effective charges -------------------------- 1 O -2.5855852 0.0000000 -0.0572908 0.0000000 -2.0420577 0.0000000 -0.0312264 0.0000000 -2.8813948 2 O -2.5855852 0.0000000 -0.0572908 0.0000000 -2.0420577 0.0000000 -0.0312264 0.0000000 -2.8813948 3 O -2.5855852 0.0000000 0.0572908 0.0000000 -2.0420577 0.0000000 0.0312264 0.0000000 -2.8813948 4 O -2.5855852 0.0000000 0.0572908 0.0000000 -2.0420577 0.0000000 0.0312264 0.0000000 -2.8813948 5 O -2.3932135 0.2861702 -0.1865234 0.2794399 -2.7082021 -0.4935104 -0.2059354 -0.4572633 -2.4855626 6 O -2.3932135 -0.2861702 -0.1865234 -0.2794399 -2.7082021 0.4935104 -0.2059354 0.4572633 -2.4855626 7 O -2.3932135 0.2861702 0.1865234 0.2794399 -2.7082021 0.4935104 0.2059354 0.4572633 -2.4855626 8 O -2.3932135 -0.2861702 0.1865234 -0.2794399 -2.7082021 -0.4935104 0.2059354 -0.4572633 -2.4855626 9 O -2.3932135 0.2861702 -0.1865234 0.2794399 -2.7082021 -0.4935104 -0.2059354 -0.4572633 -2.4855626 10 O -2.3932135 -0.2861702 -0.1865234 -0.2794399 -2.7082021 0.4935104 -0.2059354 0.4572633 -2.4855626 11 O -2.3932135 0.2861702 0.1865234 0.2794399 -2.7082021 0.4935104 0.2059354 0.4572633 -2.4855626 12 O -2.3932135 -0.2861702 0.1865234 -0.2794399 -2.7082021 -0.4935104 0.2059354 -0.4572633 -2.4855626 13 O -2.6073584 0.1270744 -0.1728211 0.1747433 -2.6282632 0.0156877 -0.0815910 -0.0185106 -2.1242950 14 O -2.6073584 -0.1270744 -0.1728211 -0.1747433 -2.6282632 -0.0156877 -0.0815910 0.0185106 -2.1242950 15 O -2.6073584 0.1270744 0.1728211 0.1747433 -2.6282632 -0.0156877 0.0815910 0.0185106 -2.1242950 16 O -2.6073584 -0.1270744 0.1728211 -0.1747433 -2.6282632 0.0156877 0.0815910 -0.0185106 -2.1242950 17 O -2.6073584 -0.1270744 0.1728211 -0.1747433 -2.6282632 0.0156877 0.0815910 -0.0185106 -2.1242950 18 O -2.6073584 0.1270744 0.1728211 0.1747433 -2.6282632 -0.0156877 0.0815910 0.0185106 -2.1242950 19 O -2.6073584 -0.1270744 -0.1728211 -0.1747433 -2.6282632 -0.0156877 -0.0815910 0.0185106 -2.1242950 20 O -2.6073584 0.1270744 -0.1728211 0.1747433 -2.6282632 0.0156877 -0.0815910 -0.0185106 -2.1242950 21 Zn 2.0106285 0.0000000 0.3119060 0.0000000 2.3292037 0.0000000 0.2902115 0.0000000 1.8711576 22 Zn 2.0106285 0.0000000 -0.3119060 0.0000000 2.3292037 0.0000000 -0.2902115 0.0000000 1.8711576 23 Zn 2.0106285 0.0000000 -0.3119060 0.0000000 2.3292037 0.0000000 -0.2902115 0.0000000 1.8711576 24 Zn 2.0106285 0.0000000 0.3119060 0.0000000 2.3292037 0.0000000 0.2902115 0.0000000 1.8711576 25 Ba 2.8778641 0.0000000 -0.1357711 0.0000000 2.8935381 0.0000000 -0.0918825 0.0000000 2.6094719 26 Ba 2.8778641 0.0000000 0.1357711 0.0000000 2.8935381 0.0000000 0.0918825 0.0000000 2.6094719 27 Ba 2.8778641 0.0000000 -0.1357711 0.0000000 2.8935381 0.0000000 -0.0918825 0.0000000 2.6094719 28 Ba 2.8778641 0.0000000 0.1357711 0.0000000 2.8935381 0.0000000 0.0918825 0.0000000 2.6094719 29 Tb 3.6720367 0.0000000 0.0589870 0.0000000 3.7637444 0.0000000 0.0825372 0.0000000 3.8027058 30 Tb 3.6720367 0.0000000 0.0589870 0.0000000 3.7637444 0.0000000 0.0825372 0.0000000 3.8027058 31 Tb 3.6720367 0.0000000 -0.0589870 0.0000000 3.7637444 0.0000000 -0.0825372 0.0000000 3.8027058 32 Tb 3.6720367 0.0000000 -0.0589870 0.0000000 3.7637444 0.0000000 -0.0825372 0.0000000 3.8027058 33 Tb 4.0261997 0.0000000 -0.0027384 0.0000000 3.7285022 0.0000000 -0.1163231 0.0000000 3.8177747 34 Tb 4.0261997 0.0000000 -0.0027384 0.0000000 3.7285022 0.0000000 -0.1163231 0.0000000 3.8177747 35 Tb 4.0261997 0.0000000 0.0027384 0.0000000 3.7285022 0.0000000 0.1163231 0.0000000 3.8177747 36 Tb 4.0261997 0.0000000 0.0027384 0.0000000 3.7285022 0.0000000 0.1163231 0.0000000 3.8177747 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yxy) 0.00000002 (yxy) 0.00000002 (yyx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 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: 0.52, 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 1.640 ( 0.000 0.000 0.000) 0.000 1.761 ( 0.000 0.000 0.000) 0.000 1.774 ( 0.000 0.000 0.000) 0.000 2.130 ( 0.000 0.000 0.000) 0.000 2.214 ( 0.000 0.000 0.000) 0.000 2.510 ( 0.000 0.000 0.000) 0.000 2.658 ( 0.000 0.000 0.000) 0.000 2.752 ( 0.000 0.000 0.000) 0.000 2.770 ( 0.000 0.000 0.000) 0.000 2.874 ( 0.000 0.000 0.000) 0.000 2.875 ( 0.000 0.000 0.000) 0.000 2.877 ( 0.000 0.000 0.000) 0.000 2.955 ( 0.000 0.000 0.000) 0.000 3.066 ( 0.000 0.000 0.000) 0.000 3.163 ( 0.000 0.000 0.000) 0.000 3.330 ( 0.000 0.000 0.000) 0.000 3.354 ( 0.000 0.000 0.000) 0.000 3.388 ( 0.000 0.000 0.000) 0.000 3.481 ( 0.000 0.000 0.000) 0.000 3.482 ( 0.000 0.000 0.000) 0.000 3.537 ( 0.000 0.000 0.000) 0.000 3.667 ( 0.000 0.000 0.000) 0.000 3.948 ( 0.000 0.000 0.000) 0.000 4.008 ( 0.000 0.000 0.000) 0.000 4.052 ( 0.000 0.000 0.000) 0.000 4.074 ( 0.000 0.000 0.000) 0.000 4.142 ( 0.000 0.000 0.000) 0.000 4.162 ( 0.000 0.000 0.000) 0.000 4.290 ( 0.000 0.000 0.000) 0.000 4.373 ( 0.000 0.000 0.000) 0.000 4.595 ( 0.000 0.000 0.000) 0.000 4.607 ( 0.000 0.000 0.000) 0.000 4.710 ( 0.000 0.000 0.000) 0.000 4.727 ( 0.000 0.000 0.000) 0.000 4.750 ( 0.000 0.000 0.000) 0.000 5.109 ( 0.000 0.000 0.000) 0.000 5.154 ( 0.000 0.000 0.000) 0.000 5.248 ( 0.000 0.000 0.000) 0.000 5.391 ( 0.000 0.000 0.000) 0.000 5.462 ( 0.000 0.000 0.000) 0.000 5.650 ( 0.000 0.000 0.000) 0.000 5.667 ( 0.000 0.000 0.000) 0.000 5.700 ( 0.000 0.000 0.000) 0.000 5.773 ( 0.000 0.000 0.000) 0.000 5.952 ( 0.000 0.000 0.000) 0.000 6.018 ( 0.000 0.000 0.000) 0.000 6.495 ( 0.000 0.000 0.000) 0.000 6.810 ( 0.000 0.000 0.000) 0.000 7.021 ( 0.000 0.000 0.000) 0.000 7.177 ( 0.000 0.000 0.000) 0.000 7.324 ( 0.000 0.000 0.000) 0.000 7.477 ( 0.000 0.000 0.000) 0.000 7.528 ( 0.000 0.000 0.000) 0.000 7.712 ( 0.000 0.000 0.000) 0.000 7.864 ( 0.000 0.000 0.000) 0.000 7.887 ( 0.000 0.000 0.000) 0.000 7.986 ( 0.000 0.000 0.000) 0.000 8.141 ( 0.000 0.000 0.000) 0.000 8.154 ( 0.000 0.000 0.000) 0.000 8.439 ( 0.000 0.000 0.000) 0.000 8.556 ( 0.000 0.000 0.000) 0.000 8.576 ( 0.000 0.000 0.000) 0.000 8.828 ( 0.000 0.000 0.000) 0.000 8.846 ( 0.000 0.000 0.000) 0.000 9.019 ( 0.000 0.000 0.000) 0.000 9.211 ( 0.000 0.000 0.000) 0.000 9.341 ( 0.000 0.000 0.000) 0.000 9.579 ( 0.000 0.000 0.000) 0.000 10.082 ( 0.000 0.000 0.000) 0.000 10.110 ( 0.000 0.000 0.000) 0.000 10.170 ( 0.000 0.000 0.000) 0.000 10.303 ( 0.000 0.000 0.000) 0.000 10.390 ( 0.000 0.000 0.000) 0.000 10.394 ( 0.000 0.000 0.000) 0.000 10.454 ( 0.000 0.000 0.000) 0.000 10.462 ( 0.000 0.000 0.000) 0.000 11.122 ( 0.000 0.000 0.000) 0.000 11.274 ( 0.000 0.000 0.000) 0.000 11.352 ( 0.000 0.000 0.000) 0.000 11.613 ( 0.000 0.000 0.000) 0.000 11.721 ( 0.000 0.000 0.000) 0.000 11.751 ( 0.000 0.000 0.000) 0.000 12.086 ( 0.000 0.000 0.000) 0.000 12.312 ( 0.000 0.000 0.000) 0.000 12.727 ( 0.000 0.000 0.000) 0.000 12.900 ( 0.000 0.000 0.000) 0.000 13.275 ( 0.000 0.000 0.000) 0.000 13.352 ( 0.000 0.000 0.000) 0.000 13.456 ( 0.000 0.000 0.000) 0.000 13.644 ( 0.000 0.000 0.000) 0.000 13.685 ( 0.000 0.000 0.000) 0.000 14.114 ( 0.000 0.000 0.000) 0.000 14.153 ( 0.000 0.000 0.000) 0.000 14.649 ( 0.000 0.000 0.000) 0.000 14.958 ( 0.000 0.000 0.000) 0.000 15.381 ( 0.000 0.000 0.000) 0.000 15.679 ( 0.000 0.000 0.000) 0.000 16.129 ( 0.000 0.000 0.000) 0.000 16.507 ( 0.000 0.000 0.000) 0.000 16.868 ( 0.000 0.000 0.000) 0.000 17.105 ( 0.000 0.000 0.000) 0.000 17.305 ( 0.000 0.000 0.000) 0.000 17.350 ( 0.000 0.000 0.000) 0.000 17.692 ( 0.000 0.000 0.000) 0.000 17.766 ( 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( 21.923 0.000 0.000) 21.923 0.646 ( 30.570 0.000 0.000) 30.570 1.097 ( 52.053 0.000 0.000) 52.053 1.296 ( -19.800 0.000 0.000) 19.800 1.629 ( -12.320 0.000 0.000) 12.320 2.112 ( 18.912 0.000 0.000) 18.912 2.171 ( 1.086 0.000 0.000) 1.086 2.205 ( -0.940 0.000 0.000) 0.940 2.534 ( 2.461 0.000 0.000) 2.461 2.681 ( -0.692 0.000 0.000) 0.692 2.710 ( -8.785 0.000 0.000) 8.785 2.719 ( -6.576 0.000 0.000) 6.576 2.804 ( -9.594 0.000 0.000) 9.594 2.876 ( 0.570 0.000 0.000) 0.570 2.880 ( 6.319 0.000 0.000) 6.319 3.003 ( -3.767 0.000 0.000) 3.767 3.077 ( -13.116 0.000 0.000) 13.116 3.087 ( 8.437 0.000 0.000) 8.437 3.307 ( -31.527 0.000 0.000) 31.527 3.317 ( -2.242 0.000 0.000) 2.242 3.324 ( -2.787 0.000 0.000) 2.787 3.427 ( 6.454 0.000 0.000) 6.454 3.429 ( -4.665 0.000 0.000) 4.665 3.579 ( 9.051 0.000 0.000) 9.051 3.666 ( 7.968 0.000 0.000) 7.968 3.671 ( -3.395 0.000 0.000) 3.395 3.908 ( -3.701 0.000 0.000) 3.701 3.963 ( -7.156 0.000 0.000) 7.156 4.144 ( -0.215 0.000 0.000) 0.215 4.146 ( -1.348 0.000 0.000) 1.348 4.201 ( 5.300 0.000 0.000) 5.300 4.376 ( -0.568 0.000 0.000) 0.568 4.482 ( -0.478 0.000 0.000) 0.478 4.674 ( -5.719 0.000 0.000) 5.719 4.717 ( 0.394 0.000 0.000) 0.394 4.724 ( -0.251 0.000 0.000) 0.251 4.762 ( 16.726 0.000 0.000) 16.726 4.945 ( 16.165 0.000 0.000) 16.165 5.090 ( -4.841 0.000 0.000) 4.841 5.192 ( 7.891 0.000 0.000) 7.891 5.287 ( 1.111 0.000 0.000) 1.111 5.382 ( -0.781 0.000 0.000) 0.781 5.407 ( -3.515 0.000 0.000) 3.515 5.598 ( -5.307 0.000 0.000) 5.307 5.708 ( 0.747 0.000 0.000) 0.747 5.801 ( 3.770 0.000 0.000) 3.770 5.815 ( -4.006 0.000 0.000) 4.006 5.944 ( -1.089 0.000 0.000) 1.089 6.177 ( 12.075 0.000 0.000) 12.075 6.497 ( -0.629 0.000 0.000) 0.629 6.962 ( 13.272 0.000 0.000) 13.272 7.018 ( -0.024 0.000 0.000) 0.024 7.111 ( -4.657 0.000 0.000) 4.657 7.379 ( 3.592 0.000 0.000) 3.592 7.399 ( -10.490 0.000 0.000) 10.490 7.469 ( -0.814 0.000 0.000) 0.814 7.613 ( -6.132 0.000 0.000) 6.132 7.868 ( 0.388 0.000 0.000) 0.388 7.884 ( -0.238 0.000 0.000) 0.238 7.986 ( -14.771 0.000 0.000) 14.771 8.043 ( 5.367 0.000 0.000) 5.367 8.402 ( -10.729 0.000 0.000) 10.729 8.510 ( 6.421 0.000 0.000) 6.421 8.660 ( 4.945 0.000 0.000) 4.945 8.901 ( 5.058 0.000 0.000) 5.058 8.915 ( 6.490 0.000 0.000) 6.490 9.001 ( 6.736 0.000 0.000) 6.736 9.041 ( 2.028 0.000 0.000) 2.028 9.147 ( -4.870 0.000 0.000) 4.870 9.279 ( -5.529 0.000 0.000) 5.529 9.868 ( -6.957 0.000 0.000) 6.957 9.892 ( -5.325 0.000 0.000) 5.325 10.112 ( -14.209 0.000 0.000) 14.209 10.133 ( -11.698 0.000 0.000) 11.698 10.406 ( 15.211 0.000 0.000) 15.211 10.621 ( 11.636 0.000 0.000) 11.636 10.658 ( 6.347 0.000 0.000) 6.347 10.703 ( 21.502 0.000 0.000) 21.502 11.146 ( 1.910 0.000 0.000) 1.910 11.173 ( -11.417 0.000 0.000) 11.417 11.246 ( -2.548 0.000 0.000) 2.548 11.550 ( -15.220 0.000 0.000) 15.220 11.620 ( 0.648 0.000 0.000) 0.648 11.706 ( -3.670 0.000 0.000) 3.670 12.156 ( 5.648 0.000 0.000) 5.648 12.319 ( -0.451 0.000 0.000) 0.451 12.735 ( 1.334 0.000 0.000) 1.334 12.866 ( -3.113 0.000 0.000) 3.113 13.304 ( 2.861 0.000 0.000) 2.861 13.366 ( 1.199 0.000 0.000) 1.199 13.446 ( -0.988 0.000 0.000) 0.988 13.543 ( -6.976 0.000 0.000) 6.976 13.770 ( 7.404 0.000 0.000) 7.404 14.067 ( -4.584 0.000 0.000) 4.584 14.107 ( 11.484 0.000 0.000) 11.484 14.559 ( -8.031 0.000 0.000) 8.031 15.017 ( 5.133 0.000 0.000) 5.133 15.298 ( -6.928 0.000 0.000) 6.928 15.687 ( 0.735 0.000 0.000) 0.735 15.726 ( -0.567 0.000 0.000) 0.567 16.317 ( 10.274 0.000 0.000) 10.274 16.750 ( 1.156 0.000 0.000) 1.156 16.800 ( -6.811 0.000 0.000) 6.811 16.923 ( -10.875 0.000 0.000) 10.875 17.407 ( 7.294 0.000 0.000) 7.294 17.489 ( 9.324 0.000 0.000) 9.324 17.688 ( -4.680 0.000 0.000) 4.680 17.744 ( -2.640 0.000 0.000) 2.640 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -20.721 0.000 0.000) 20.721 0.885 ( 20.721 0.000 0.000) 20.721 1.212 ( -24.285 0.000 0.000) 24.285 1.212 ( 24.285 0.000 0.000) 24.285 2.103 ( -28.546 0.000 0.000) 28.546 2.103 ( 28.546 0.000 0.000) 28.546 2.249 ( -19.589 0.000 0.000) 19.589 2.249 ( 19.589 0.000 0.000) 19.589 2.472 ( -15.764 0.000 0.000) 15.764 2.472 ( 15.764 0.000 0.000) 15.764 2.618 ( -6.336 0.000 0.000) 6.336 2.618 ( 6.336 0.000 0.000) 6.336 2.732 ( -6.304 0.000 0.000) 6.304 2.732 ( 6.304 0.000 0.000) 6.304 2.909 ( -2.361 0.000 0.000) 2.361 2.909 ( 2.361 0.000 0.000) 2.361 3.044 ( -6.845 0.000 0.000) 6.845 3.044 ( 6.845 0.000 0.000) 6.845 3.239 ( -5.992 0.000 0.000) 5.992 3.239 ( 5.992 0.000 0.000) 5.992 3.333 ( -3.480 0.000 0.000) 3.480 3.333 ( 3.480 0.000 0.000) 3.480 3.566 ( -6.773 0.000 0.000) 6.773 3.566 ( 6.773 0.000 0.000) 6.773 3.789 ( -10.185 0.000 0.000) 10.185 3.789 ( 10.185 0.000 0.000) 10.185 3.808 ( -6.002 0.000 0.000) 6.002 3.808 ( 6.002 0.000 0.000) 6.002 4.126 ( -0.026 0.000 0.000) 0.026 4.126 ( 0.026 0.000 0.000) 0.026 4.319 ( -5.080 0.000 0.000) 5.080 4.319 ( 5.080 0.000 0.000) 5.080 4.546 ( -5.919 0.000 0.000) 5.919 4.546 ( 5.919 0.000 0.000) 5.919 4.720 ( -0.047 0.000 0.000) 0.047 4.720 ( 0.047 0.000 0.000) 0.047 4.972 ( -7.041 0.000 0.000) 7.041 4.972 ( 7.041 0.000 0.000) 7.041 5.228 ( -7.901 0.000 0.000) 7.901 5.228 ( 7.901 0.000 0.000) 7.901 5.371 ( -0.145 0.000 0.000) 0.145 5.371 ( 0.145 0.000 0.000) 0.145 5.418 ( -12.405 0.000 0.000) 12.405 5.418 ( 12.405 0.000 0.000) 12.405 5.738 ( -2.605 0.000 0.000) 2.605 5.738 ( 2.605 0.000 0.000) 2.605 5.893 ( -4.062 0.000 0.000) 4.062 5.893 ( 4.062 0.000 0.000) 4.062 6.410 ( -8.909 0.000 0.000) 8.909 6.410 ( 8.909 0.000 0.000) 8.909 7.037 ( -2.267 0.000 0.000) 2.267 7.037 ( 2.267 0.000 0.000) 2.267 7.205 ( -8.560 0.000 0.000) 8.560 7.205 ( 8.560 0.000 0.000) 8.560 7.439 ( -2.202 0.000 0.000) 2.202 7.439 ( 2.202 0.000 0.000) 2.202 7.659 ( -13.117 0.000 0.000) 13.117 7.659 ( 13.117 0.000 0.000) 13.117 7.877 ( -0.420 0.000 0.000) 0.420 7.877 ( 0.420 0.000 0.000) 0.420 8.194 ( -9.212 0.000 0.000) 9.212 8.194 ( 9.212 0.000 0.000) 9.212 8.653 ( -5.736 0.000 0.000) 5.736 8.653 ( 5.736 0.000 0.000) 5.736 9.016 ( -4.660 0.000 0.000) 4.660 9.016 ( 4.660 0.000 0.000) 4.660 9.027 ( -4.054 0.000 0.000) 4.054 9.027 ( 4.054 0.000 0.000) 4.054 9.153 ( -5.759 0.000 0.000) 5.759 9.153 ( 5.759 0.000 0.000) 5.759 9.898 ( -5.925 0.000 0.000) 5.925 9.898 ( 5.925 0.000 0.000) 5.925 9.901 ( -9.181 0.000 0.000) 9.181 9.901 ( 9.181 0.000 0.000) 9.181 10.651 ( -7.222 0.000 0.000) 7.222 10.651 ( 7.222 0.000 0.000) 7.222 10.883 ( -13.167 0.000 0.000) 13.167 10.883 ( 13.167 0.000 0.000) 13.167 11.170 ( -20.612 0.000 0.000) 20.612 11.170 ( 20.612 0.000 0.000) 20.612 11.189 ( -2.536 0.000 0.000) 2.536 11.189 ( 2.536 0.000 0.000) 2.536 11.643 ( -1.976 0.000 0.000) 1.976 11.643 ( 1.976 0.000 0.000) 1.976 12.267 ( -4.507 0.000 0.000) 4.507 12.267 ( 4.507 0.000 0.000) 4.507 12.790 ( -3.796 0.000 0.000) 3.796 12.790 ( 3.796 0.000 0.000) 3.796 13.375 ( -2.266 0.000 0.000) 2.266 13.375 ( 2.266 0.000 0.000) 2.266 13.434 ( -1.657 0.000 0.000) 1.657 13.434 ( 1.657 0.000 0.000) 1.657 13.936 ( -7.961 0.000 0.000) 7.961 13.936 ( 7.961 0.000 0.000) 7.961 14.352 ( -11.797 0.000 0.000) 11.797 14.352 ( 11.797 0.000 0.000) 11.797 15.146 ( -7.337 0.000 0.000) 7.337 15.146 ( 7.337 0.000 0.000) 7.337 15.707 ( -1.118 0.000 0.000) 1.118 15.707 ( 1.118 0.000 0.000) 1.118 16.571 ( -13.591 0.000 0.000) 13.591 16.571 ( 13.591 0.000 0.000) 13.591 16.792 ( -3.279 0.000 0.000) 3.279 16.792 ( 3.279 0.000 0.000) 3.279 17.563 ( -7.396 0.000 0.000) 7.396 17.563 ( 7.396 0.000 0.000) 7.396 17.652 ( -6.404 0.000 0.000) 6.404 17.652 ( 6.404 0.000 0.000) 6.404 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( 0.000 22.454 0.000) 22.454 0.511 ( 0.000 26.093 0.000) 26.093 1.182 ( 0.000 58.924 0.000) 58.924 1.781 ( 0.000 2.018 0.000) 2.018 1.896 ( 0.000 19.635 0.000) 19.635 1.959 ( 0.000 13.774 0.000) 13.774 2.126 ( 0.000 -0.405 0.000) 0.405 2.230 ( 0.000 2.739 0.000) 2.739 2.550 ( 0.000 4.799 0.000) 4.799 2.598 ( 0.000 -5.251 0.000) 5.251 2.712 ( 0.000 -3.954 0.000) 3.954 2.735 ( 0.000 -2.761 0.000) 2.761 2.828 ( 0.000 -3.487 0.000) 3.487 2.857 ( 0.000 0.928 0.000) 0.928 3.036 ( 0.000 -2.441 0.000) 2.441 3.054 ( 0.000 8.427 0.000) 8.427 3.091 ( 0.000 -5.230 0.000) 5.230 3.213 ( 0.000 0.347 0.000) 0.347 3.357 ( 0.000 3.659 0.000) 3.659 3.381 ( 0.000 -4.060 0.000) 4.060 3.428 ( 0.000 2.543 0.000) 2.543 3.650 ( 0.000 3.343 0.000) 3.343 3.654 ( 0.000 21.106 0.000) 21.106 3.703 ( 0.000 7.150 0.000) 7.150 3.729 ( 0.000 11.897 0.000) 11.897 3.846 ( 0.000 -8.769 0.000) 8.769 3.954 ( 0.000 0.475 0.000) 0.475 4.057 ( 0.000 3.991 0.000) 3.991 4.084 ( 0.000 1.513 0.000) 1.513 4.116 ( 0.000 -2.177 0.000) 2.177 4.221 ( 0.000 8.288 0.000) 8.288 4.434 ( 0.000 5.383 0.000) 5.383 4.445 ( 0.000 -7.732 0.000) 7.732 4.558 ( 0.000 7.937 0.000) 7.937 4.608 ( 0.000 14.838 0.000) 14.838 4.721 ( 0.000 -0.824 0.000) 0.824 4.730 ( 0.000 0.669 0.000) 0.669 4.878 ( 0.000 7.782 0.000) 7.782 5.183 ( 0.000 8.067 0.000) 8.067 5.184 ( 0.000 3.253 0.000) 3.253 5.262 ( 0.000 1.560 0.000) 1.560 5.418 ( 0.000 0.943 0.000) 0.943 5.446 ( 0.000 -1.640 0.000) 1.640 5.635 ( 0.000 -5.668 0.000) 5.668 5.690 ( 0.000 4.086 0.000) 4.086 5.707 ( 0.000 5.426 0.000) 5.426 6.007 ( 0.000 3.863 0.000) 3.863 6.106 ( 0.000 7.131 0.000) 7.131 6.156 ( 0.000 37.315 0.000) 37.315 6.863 ( 0.000 6.113 0.000) 6.113 7.075 ( 0.000 5.302 0.000) 5.302 7.162 ( 0.000 -1.486 0.000) 1.486 7.265 ( 0.000 -0.918 0.000) 0.918 7.449 ( 0.000 15.256 0.000) 15.256 7.453 ( 0.000 -2.351 0.000) 2.351 7.491 ( 0.000 -3.515 0.000) 3.515 7.603 ( 0.000 -7.136 0.000) 7.136 7.851 ( 0.000 -0.310 0.000) 0.310 7.857 ( 0.000 -2.889 0.000) 2.889 8.149 ( 0.000 12.291 0.000) 12.291 8.186 ( 0.000 4.582 0.000) 4.582 8.347 ( 0.000 3.465 0.000) 3.465 8.560 ( 0.000 0.487 0.000) 0.487 8.630 ( 0.000 3.468 0.000) 3.468 8.819 ( 0.000 -0.117 0.000) 0.117 8.969 ( 0.000 12.230 0.000) 12.230 9.212 ( 0.000 18.454 0.000) 18.454 9.312 ( 0.000 -3.509 0.000) 3.509 9.360 ( 0.000 12.048 0.000) 12.048 9.431 ( 0.000 0.370 0.000) 0.370 9.622 ( 0.000 6.443 0.000) 6.443 10.074 ( 0.000 -7.560 0.000) 7.560 10.157 ( 0.000 7.833 0.000) 7.833 10.177 ( 0.000 10.121 0.000) 10.121 10.291 ( 0.000 -1.134 0.000) 1.134 10.403 ( 0.000 0.115 0.000) 0.115 10.556 ( 0.000 7.213 0.000) 7.213 10.601 ( 0.000 13.000 0.000) 13.000 11.053 ( 0.000 1.142 0.000) 1.142 11.396 ( 0.000 4.841 0.000) 4.841 11.415 ( 0.000 13.059 0.000) 13.059 11.634 ( 0.000 2.154 0.000) 2.154 11.744 ( 0.000 2.754 0.000) 2.754 11.778 ( 0.000 2.709 0.000) 2.709 12.174 ( 0.000 8.086 0.000) 8.086 12.299 ( 0.000 -1.113 0.000) 1.113 12.434 ( 0.000 7.553 0.000) 7.553 12.861 ( 0.000 -4.166 0.000) 4.166 13.238 ( 0.000 -3.553 0.000) 3.553 13.329 ( 0.000 -2.668 0.000) 2.668 13.407 ( 0.000 -5.121 0.000) 5.121 13.642 ( 0.000 0.576 0.000) 0.576 13.643 ( 0.000 -4.243 0.000) 4.243 14.123 ( 0.000 1.058 0.000) 1.058 14.197 ( 0.000 4.287 0.000) 4.287 14.624 ( 0.000 -2.025 0.000) 2.025 14.943 ( 0.000 -1.688 0.000) 1.688 15.336 ( 0.000 -4.515 0.000) 4.515 15.643 ( 0.000 -3.537 0.000) 3.537 16.158 ( 0.000 3.015 0.000) 3.015 16.427 ( 0.000 -8.177 0.000) 8.177 16.482 ( 0.000 3.944 0.000) 3.944 16.832 ( 0.000 -3.807 0.000) 3.807 17.090 ( 0.000 -1.806 0.000) 1.806 17.241 ( 0.000 -6.129 0.000) 6.129 17.261 ( 0.000 -8.589 0.000) 8.589 17.661 ( 0.000 -3.190 0.000) 3.190 17.721 ( 0.000 -4.608 0.000) 4.608 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 23.199 15.268 0.000) 27.772 0.946 ( 25.663 18.745 0.000) 31.780 1.417 ( 26.119 39.559 0.000) 47.404 1.620 ( -15.043 25.250 0.000) 29.392 1.668 ( -9.719 4.577 0.000) 10.743 2.147 ( 3.568 0.190 0.000) 3.573 2.150 ( 1.527 -1.392 0.000) 2.066 2.312 ( 10.465 9.938 0.000) 14.432 2.580 ( 3.099 5.310 0.000) 6.149 2.623 ( 0.670 -5.515 0.000) 5.556 2.686 ( -6.202 -1.224 0.000) 6.321 2.746 ( -4.882 -2.283 0.000) 5.389 2.777 ( 4.890 -4.348 0.000) 6.543 2.853 ( 0.332 -0.046 0.000) 0.335 2.911 ( -10.015 8.031 0.000) 12.838 2.964 ( -4.912 0.105 0.000) 4.913 3.017 ( -8.247 -4.104 0.000) 9.212 3.276 ( 5.209 6.718 0.000) 8.501 3.282 ( -33.220 -1.396 0.000) 33.249 3.377 ( 4.435 -2.008 0.000) 4.868 3.406 ( -2.052 2.949 0.000) 3.593 3.493 ( 5.850 6.774 0.000) 8.950 3.605 ( 1.934 9.468 0.000) 9.663 3.634 ( -3.403 11.221 0.000) 11.725 3.687 ( -4.507 3.623 0.000) 5.783 3.842 ( -3.712 -5.792 0.000) 6.879 3.874 ( 8.287 16.752 0.000) 18.690 4.084 ( -1.141 -0.607 0.000) 1.293 4.106 ( -0.646 -3.068 0.000) 3.135 4.173 ( -2.856 17.859 0.000) 18.085 4.262 ( 4.017 7.157 0.000) 8.207 4.388 ( -1.160 0.845 0.000) 1.435 4.462 ( 0.251 -8.100 0.000) 8.104 4.545 ( -5.627 0.241 0.000) 5.633 4.688 ( 5.698 3.631 0.000) 6.757 4.801 ( 12.335 3.356 0.000) 12.783 4.887 ( -2.357 6.824 0.000) 7.220 4.974 ( 15.140 3.016 0.000) 15.437 5.121 ( -4.863 3.295 0.000) 5.874 5.242 ( 5.571 5.673 0.000) 7.951 5.276 ( 0.117 -0.526 0.000) 0.539 5.394 ( -1.942 -0.405 0.000) 1.984 5.394 ( -1.921 0.016 0.000) 1.921 5.631 ( -5.513 3.666 0.000) 6.620 5.704 ( 4.369 -0.346 0.000) 4.382 5.759 ( 2.444 3.029 0.000) 3.893 5.996 ( -0.947 3.386 0.000) 3.516 6.010 ( -2.897 12.857 0.000) 13.180 6.395 ( 16.036 27.445 0.000) 31.786 6.971 ( 6.749 2.482 0.000) 7.191 7.052 ( -12.238 26.765 0.000) 29.431 7.102 ( 4.754 7.281 0.000) 8.696 7.117 ( -7.217 6.844 0.000) 9.947 7.352 ( 2.196 -2.321 0.000) 3.195 7.405 ( -10.717 1.573 0.000) 10.832 7.447 ( -0.673 -2.203 0.000) 2.304 7.557 ( -2.709 -4.090 0.000) 4.905 7.804 ( -2.058 -3.601 0.000) 4.148 7.857 ( 0.033 -2.678 0.000) 2.678 8.067 ( -13.476 5.670 0.000) 14.621 8.136 ( 1.053 8.129 0.000) 8.197 8.365 ( -4.384 -0.184 0.000) 4.388 8.579 ( 6.661 3.358 0.000) 7.460 8.733 ( 6.419 4.647 0.000) 7.925 8.829 ( 1.577 3.423 0.000) 3.768 8.861 ( 3.335 -0.023 0.000) 3.335 9.218 ( 0.236 16.210 0.000) 16.212 9.280 ( -0.998 1.065 0.000) 1.460 9.324 ( -2.708 13.943 0.000) 14.204 9.367 ( -0.642 20.296 0.000) 20.306 9.883 ( -1.893 1.171 0.000) 2.226 9.904 ( -7.646 4.927 0.000) 9.095 10.148 ( -4.428 0.744 0.000) 4.491 10.208 ( -6.608 5.772 0.000) 8.774 10.518 ( 14.097 11.095 0.000) 17.940 10.536 ( 14.385 -5.073 0.000) 15.254 10.666 ( 7.383 5.062 0.000) 8.952 10.731 ( 17.513 -0.399 0.000) 17.518 11.050 ( -1.747 -1.376 0.000) 2.224 11.333 ( -3.941 9.121 0.000) 9.936 11.376 ( -3.484 11.816 0.000) 12.319 11.541 ( -13.951 0.021 0.000) 13.951 11.667 ( -0.758 4.335 0.000) 4.401 11.737 ( -3.259 3.229 0.000) 4.588 12.219 ( 3.731 5.951 0.000) 7.024 12.320 ( 0.611 0.262 0.000) 0.665 12.549 ( 7.409 -5.393 0.000) 9.163 12.810 ( -4.720 -5.551 0.000) 7.286 13.280 ( 4.072 -2.602 0.000) 4.832 13.345 ( 1.470 -3.251 0.000) 3.568 13.401 ( -0.630 -4.515 0.000) 4.559 13.550 ( -6.602 -1.476 0.000) 6.765 13.745 ( 6.614 -0.544 0.000) 6.637 14.064 ( -5.696 0.035 0.000) 5.696 14.188 ( 3.951 5.407 0.000) 6.697 14.535 ( -7.707 -1.983 0.000) 7.959 15.000 ( 4.911 -1.787 0.000) 5.226 15.262 ( -6.269 -3.654 0.000) 7.256 15.678 ( 3.311 -0.896 0.000) 3.430 15.962 ( -13.596 13.426 0.000) 19.108 16.336 ( 8.361 1.545 0.000) 8.503 16.642 ( 3.986 -8.289 0.000) 9.197 16.757 ( -6.329 -4.768 0.000) 7.924 16.897 ( -12.078 -2.281 0.000) 12.292 17.331 ( 8.000 -7.573 0.000) 11.016 17.435 ( 9.760 -5.113 0.000) 11.018 17.628 ( -4.192 -5.181 0.000) 6.664 17.697 ( -2.684 -4.583 0.000) 5.311 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -12.023 12.240 0.000) 17.158 1.276 ( 12.023 12.240 0.000) 17.158 1.328 ( -5.373 25.578 0.000) 26.136 1.328 ( 5.373 25.578 0.000) 26.136 2.124 ( -11.791 2.873 0.000) 12.136 2.124 ( 11.791 2.873 0.000) 12.136 2.270 ( -28.508 5.764 0.000) 29.085 2.270 ( 28.508 5.764 0.000) 29.085 2.545 ( -9.677 1.006 0.000) 9.729 2.545 ( 9.677 1.006 0.000) 9.729 2.680 ( -4.578 6.475 0.000) 7.929 2.680 ( 4.578 6.475 0.000) 7.929 2.754 ( -2.939 3.176 0.000) 4.327 2.754 ( 2.939 3.176 0.000) 4.327 2.886 ( -2.762 -0.563 0.000) 2.819 2.886 ( 2.762 -0.563 0.000) 2.819 2.930 ( -8.435 -7.457 0.000) 11.258 2.930 ( 8.435 -7.457 0.000) 11.258 3.356 ( -2.939 3.493 0.000) 4.565 3.356 ( 2.939 3.493 0.000) 4.565 3.520 ( -7.919 4.616 0.000) 9.166 3.520 ( 7.919 4.616 0.000) 9.166 3.579 ( -4.509 12.858 0.000) 13.626 3.579 ( 4.509 12.858 0.000) 13.626 3.741 ( -7.431 -4.336 0.000) 8.603 3.741 ( 7.431 -4.336 0.000) 8.603 4.007 ( -4.976 13.545 0.000) 14.431 4.007 ( 4.976 13.545 0.000) 14.431 4.113 ( -1.872 2.409 0.000) 3.050 4.113 ( 1.872 2.409 0.000) 3.050 4.361 ( -4.092 6.295 0.000) 7.508 4.361 ( 4.092 6.295 0.000) 7.508 4.460 ( -0.923 -6.290 0.000) 6.357 4.460 ( 0.923 -6.290 0.000) 6.357 4.795 ( -5.353 6.564 0.000) 8.470 4.795 ( 5.353 6.564 0.000) 8.470 5.001 ( -7.379 2.313 0.000) 7.733 5.001 ( 7.379 2.313 0.000) 7.733 5.214 ( -6.894 -0.790 0.000) 6.940 5.214 ( 6.894 -0.790 0.000) 6.940 5.348 ( -2.927 -1.017 0.000) 3.098 5.348 ( 2.927 -1.017 0.000) 3.098 5.469 ( -9.295 4.636 0.000) 10.387 5.469 ( 9.295 4.636 0.000) 10.387 5.768 ( -1.572 4.422 0.000) 4.693 5.768 ( 1.572 4.422 0.000) 4.693 5.984 ( -0.112 5.085 0.000) 5.086 5.984 ( 0.112 5.085 0.000) 5.086 6.752 ( -17.592 32.650 0.000) 37.088 6.752 ( 17.592 32.650 0.000) 37.088 7.037 ( -2.311 0.259 0.000) 2.326 7.037 ( 2.311 0.259 0.000) 2.326 7.231 ( -4.823 2.049 0.000) 5.241 7.231 ( 4.823 2.049 0.000) 5.241 7.413 ( -2.514 -2.442 0.000) 3.505 7.413 ( 2.514 -2.442 0.000) 3.505 7.656 ( -12.709 0.234 0.000) 12.711 7.656 ( 12.709 0.234 0.000) 12.711 7.869 ( -2.361 -0.568 0.000) 2.429 7.869 ( 2.361 -0.568 0.000) 2.429 8.222 ( -6.820 3.120 0.000) 7.500 8.222 ( 6.820 3.120 0.000) 7.500 8.752 ( -5.933 8.435 0.000) 10.313 8.752 ( 5.933 8.435 0.000) 10.313 8.894 ( -1.384 -2.775 0.000) 3.101 8.894 ( 1.384 -2.775 0.000) 3.101 9.235 ( -2.046 6.312 0.000) 6.635 9.235 ( 2.046 6.312 0.000) 6.635 9.312 ( -2.719 17.960 0.000) 18.165 9.312 ( 2.719 17.960 0.000) 18.165 9.906 ( -5.084 6.158 0.000) 7.986 9.906 ( 5.084 6.158 0.000) 7.986 10.028 ( -7.073 8.835 0.000) 11.317 10.028 ( 7.073 8.835 0.000) 11.317 10.695 ( -2.324 4.340 0.000) 4.923 10.695 ( 2.324 4.340 0.000) 4.923 10.862 ( -8.027 -1.429 0.000) 8.153 10.862 ( 8.027 -1.429 0.000) 8.153 11.178 ( -17.962 1.176 0.000) 18.000 11.178 ( 17.962 1.176 0.000) 18.000 11.312 ( -2.429 10.514 0.000) 10.791 11.312 ( 2.429 10.514 0.000) 10.791 11.681 ( -1.746 3.855 0.000) 4.232 11.681 ( 1.746 3.855 0.000) 4.232 12.294 ( -2.994 2.701 0.000) 4.033 12.294 ( 2.994 2.701 0.000) 4.033 12.689 ( -6.618 -7.809 0.000) 10.237 12.689 ( 6.618 -7.809 0.000) 10.237 13.379 ( -1.536 -3.906 0.000) 4.197 13.379 ( 1.536 -3.906 0.000) 4.197 13.397 ( -7.242 -0.615 0.000) 7.268 13.397 ( 7.242 -0.615 0.000) 7.268 13.910 ( -8.743 -1.296 0.000) 8.838 13.910 ( 8.743 -1.296 0.000) 8.838 14.349 ( -9.835 0.017 0.000) 9.835 14.349 ( 9.835 0.017 0.000) 9.835 15.122 ( -6.843 -2.473 0.000) 7.277 15.122 ( 6.843 -2.473 0.000) 7.277 15.774 ( -6.306 5.630 0.000) 8.454 15.774 ( 6.306 5.630 0.000) 8.454 16.563 ( -12.248 -1.174 0.000) 12.304 16.563 ( 12.248 -1.174 0.000) 12.304 16.722 ( -4.955 -6.272 0.000) 7.993 16.722 ( 4.955 -6.272 0.000) 7.993 17.501 ( -7.861 -6.095 0.000) 9.947 17.501 ( 7.861 -6.095 0.000) 9.947 17.603 ( -6.552 -4.804 0.000) 8.125 17.603 ( 6.552 -4.804 0.000) 8.125 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 0.000 23.162 0.000) 23.162 1.013 ( 0.000 25.207 0.000) 25.207 1.826 ( 0.000 2.901 0.000) 2.901 2.100 ( 0.000 1.386 0.000) 1.386 2.117 ( 0.000 -0.542 0.000) 0.542 2.196 ( 0.000 9.795 0.000) 9.795 2.257 ( 0.000 48.404 0.000) 48.404 2.354 ( 0.000 7.247 0.000) 7.247 2.472 ( 0.000 -7.172 0.000) 7.172 2.609 ( 0.000 -6.256 0.000) 6.256 2.648 ( 0.000 -6.037 0.000) 6.037 2.728 ( 0.000 11.626 0.000) 11.626 2.789 ( 0.000 -0.116 0.000) 0.116 2.994 ( 0.000 -3.221 0.000) 3.221 2.999 ( 0.000 0.167 0.000) 0.167 3.016 ( 0.000 14.678 0.000) 14.678 3.079 ( 0.000 -11.793 0.000) 11.793 3.230 ( 0.000 8.905 0.000) 8.905 3.382 ( 0.000 2.552 0.000) 2.552 3.387 ( 0.000 -5.968 0.000) 5.968 3.432 ( 0.000 3.438 0.000) 3.438 3.467 ( 0.000 -16.307 0.000) 16.307 3.668 ( 0.000 0.669 0.000) 0.669 3.820 ( 0.000 -1.818 0.000) 1.818 3.903 ( 0.000 -0.816 0.000) 0.816 3.926 ( 0.000 -4.173 0.000) 4.173 4.038 ( 0.000 10.139 0.000) 10.139 4.054 ( 0.000 -4.105 0.000) 4.105 4.135 ( 0.000 4.652 0.000) 4.652 4.221 ( 0.000 12.161 0.000) 12.161 4.371 ( 0.000 -3.653 0.000) 3.653 4.508 ( 0.000 15.729 0.000) 15.729 4.575 ( 0.000 23.789 0.000) 23.789 4.605 ( 0.000 -5.549 0.000) 5.549 4.729 ( 0.000 -0.585 0.000) 0.585 4.885 ( 0.000 13.077 0.000) 13.077 4.975 ( 0.000 15.523 0.000) 15.523 4.976 ( 0.000 2.629 0.000) 2.629 5.278 ( 0.000 5.997 0.000) 5.997 5.314 ( 0.000 3.567 0.000) 3.567 5.401 ( 0.000 -2.507 0.000) 2.507 5.445 ( 0.000 2.059 0.000) 2.059 5.484 ( 0.000 23.566 0.000) 23.566 5.521 ( 0.000 -4.804 0.000) 4.804 5.818 ( 0.000 9.605 0.000) 9.605 5.898 ( 0.000 10.935 0.000) 10.935 6.047 ( 0.000 2.222 0.000) 2.222 6.235 ( 0.000 5.876 0.000) 5.876 7.036 ( 0.000 9.260 0.000) 9.260 7.069 ( 0.000 49.851 0.000) 49.851 7.122 ( 0.000 -2.533 0.000) 2.533 7.224 ( 0.000 -2.697 0.000) 2.697 7.232 ( 0.000 11.320 0.000) 11.320 7.389 ( 0.000 -3.567 0.000) 3.567 7.407 ( 0.000 -4.699 0.000) 4.699 7.499 ( 0.000 -2.479 0.000) 2.479 7.647 ( 0.000 -1.023 0.000) 1.023 7.784 ( 0.000 -4.229 0.000) 4.229 8.031 ( 0.000 21.485 0.000) 21.485 8.315 ( 0.000 8.181 0.000) 8.181 8.382 ( 0.000 10.581 0.000) 10.581 8.436 ( 0.000 6.046 0.000) 6.046 8.579 ( 0.000 1.597 0.000) 1.597 8.624 ( 0.000 -3.011 0.000) 3.011 8.906 ( 0.000 7.218 0.000) 7.218 9.165 ( 0.000 5.629 0.000) 5.629 9.192 ( 0.000 -8.338 0.000) 8.338 9.479 ( 0.000 5.403 0.000) 5.403 9.602 ( 0.000 13.393 0.000) 13.393 9.630 ( 0.000 20.245 0.000) 20.245 9.890 ( 0.000 4.229 0.000) 4.229 9.967 ( 0.000 14.014 0.000) 14.014 10.267 ( 0.000 -0.308 0.000) 0.308 10.362 ( 0.000 -4.606 0.000) 4.606 10.407 ( 0.000 18.001 0.000) 18.001 10.568 ( 0.000 27.895 0.000) 27.895 10.680 ( 0.000 4.651 0.000) 4.651 10.911 ( 0.000 18.456 0.000) 18.456 11.134 ( 0.000 7.320 0.000) 7.320 11.560 ( 0.000 12.324 0.000) 12.324 11.659 ( 0.000 8.571 0.000) 8.571 11.699 ( 0.000 4.743 0.000) 4.743 11.852 ( 0.000 4.627 0.000) 4.627 11.882 ( 0.000 12.630 0.000) 12.630 12.280 ( 0.000 -0.585 0.000) 0.585 12.354 ( 0.000 9.046 0.000) 9.046 12.594 ( 0.000 6.958 0.000) 6.958 12.723 ( 0.000 -10.483 0.000) 10.483 13.158 ( 0.000 -3.938 0.000) 3.938 13.229 ( 0.000 -7.917 0.000) 7.917 13.255 ( 0.000 -10.436 0.000) 10.436 13.520 ( 0.000 -8.326 0.000) 8.326 13.727 ( 0.000 10.018 0.000) 10.018 14.159 ( 0.000 2.453 0.000) 2.453 14.309 ( 0.000 6.913 0.000) 6.913 14.617 ( 0.000 3.206 0.000) 3.206 14.875 ( 0.000 -6.099 0.000) 6.099 15.214 ( 0.000 -7.758 0.000) 7.758 15.559 ( 0.000 -4.267 0.000) 4.267 16.172 ( 0.000 -14.043 0.000) 14.043 16.272 ( 0.000 4.975 0.000) 4.975 16.592 ( 0.000 7.263 0.000) 7.263 16.711 ( 0.000 -8.889 0.000) 8.889 16.972 ( 0.000 -13.091 0.000) 13.091 17.094 ( 0.000 -7.950 0.000) 7.950 17.095 ( 0.000 -5.162 0.000) 5.162 17.568 ( 0.000 -6.332 0.000) 6.332 17.586 ( 0.000 -9.244 0.000) 9.244 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 13.835 20.211 0.000) 24.492 1.232 ( 27.153 14.979 0.000) 31.010 1.748 ( -8.028 5.623 0.000) 9.801 2.027 ( -8.798 13.025 0.000) 15.717 2.124 ( 0.464 -1.107 0.000) 1.201 2.145 ( -1.523 1.404 0.000) 2.071 2.322 ( 7.608 39.377 0.000) 40.105 2.414 ( 3.780 1.230 0.000) 3.976 2.492 ( 0.763 -5.507 0.000) 5.560 2.632 ( -1.591 -4.799 0.000) 5.055 2.646 ( 4.103 -5.077 0.000) 6.528 2.735 ( -2.955 -1.564 0.000) 3.343 2.778 ( 4.459 10.145 0.000) 11.081 2.923 ( -5.654 -2.184 0.000) 6.061 2.981 ( -1.341 4.433 0.000) 4.631 2.986 ( -2.809 9.965 0.000) 10.353 3.057 ( -3.970 2.736 0.000) 4.822 3.218 ( 0.927 -4.341 0.000) 4.439 3.276 ( -18.222 0.319 0.000) 18.225 3.402 ( -6.277 -2.165 0.000) 6.640 3.434 ( 5.733 4.462 0.000) 7.265 3.532 ( 7.031 0.405 0.000) 7.043 3.603 ( -2.378 -3.365 0.000) 4.120 3.684 ( -7.338 0.047 0.000) 7.338 3.769 ( -1.266 1.650 0.000) 2.080 3.967 ( -1.153 -0.179 0.000) 1.167 4.029 ( 6.612 -4.219 0.000) 7.844 4.049 ( 1.693 -3.504 0.000) 3.892 4.091 ( -6.694 6.888 0.000) 9.605 4.364 ( 0.156 3.964 0.000) 3.967 4.448 ( -8.380 -6.334 0.000) 10.505 4.465 ( -2.733 15.978 0.000) 16.210 4.558 ( 14.915 10.055 0.000) 17.988 4.636 ( 4.114 21.559 0.000) 21.948 4.863 ( 5.708 2.471 0.000) 6.220 4.880 ( 2.322 10.789 0.000) 11.036 4.981 ( -0.611 3.058 0.000) 3.118 5.092 ( 9.230 8.734 0.000) 12.707 5.214 ( -6.163 4.579 0.000) 7.678 5.281 ( -2.674 2.654 0.000) 3.768 5.317 ( -3.437 -1.423 0.000) 3.720 5.421 ( -2.437 2.016 0.000) 3.163 5.507 ( 4.201 16.473 0.000) 17.001 5.695 ( 10.219 0.586 0.000) 10.236 5.760 ( -5.205 10.024 0.000) 11.295 5.945 ( 3.875 12.757 0.000) 13.333 6.010 ( -3.512 -0.774 0.000) 3.596 6.183 ( -4.788 7.371 0.000) 8.790 7.036 ( 1.566 9.533 0.000) 9.661 7.085 ( -2.371 -0.929 0.000) 2.546 7.129 ( 3.365 22.042 0.000) 22.297 7.266 ( 2.850 -3.390 0.000) 4.429 7.317 ( -5.444 -2.727 0.000) 6.089 7.323 ( 5.406 19.817 0.000) 20.541 7.402 ( 3.511 2.456 0.000) 4.285 7.526 ( 3.971 3.873 0.000) 5.547 7.652 ( -0.479 1.385 0.000) 1.466 7.790 ( 0.985 -3.480 0.000) 3.617 7.911 ( -12.813 27.866 0.000) 30.671 8.193 ( -13.223 7.636 0.000) 15.269 8.302 ( -3.576 7.870 0.000) 8.644 8.405 ( -4.451 3.312 0.000) 5.548 8.630 ( 11.568 2.944 0.000) 11.937 8.738 ( 7.480 -1.797 0.000) 7.693 8.960 ( -5.496 6.976 0.000) 8.881 8.971 ( 4.548 7.914 0.000) 9.128 9.243 ( 3.140 -3.797 0.000) 4.928 9.487 ( -10.365 9.197 0.000) 13.858 9.647 ( 1.182 17.883 0.000) 17.922 9.806 ( -4.963 15.890 0.000) 16.647 9.923 ( 14.035 7.751 0.000) 16.033 10.116 ( 16.789 2.273 0.000) 16.942 10.166 ( -5.856 18.718 0.000) 19.613 10.359 ( -0.115 12.542 0.000) 12.543 10.511 ( 13.401 -2.242 0.000) 13.588 10.706 ( 4.313 0.695 0.000) 4.369 10.772 ( 8.095 12.204 0.000) 14.644 10.882 ( -0.393 19.780 0.000) 19.784 11.126 ( 0.181 8.134 0.000) 8.136 11.518 ( -13.752 1.318 0.000) 13.815 11.526 ( -2.513 11.482 0.000) 11.754 11.651 ( -5.859 9.759 0.000) 11.383 11.797 ( -2.986 9.468 0.000) 9.927 11.828 ( -1.932 5.809 0.000) 6.122 12.338 ( 3.106 1.898 0.000) 3.640 12.361 ( 0.564 7.860 0.000) 7.880 12.573 ( -1.357 4.098 0.000) 4.317 12.664 ( -4.914 -9.147 0.000) 10.383 13.196 ( 3.141 -6.662 0.000) 7.365 13.231 ( 0.263 -8.624 0.000) 8.628 13.281 ( 2.496 -6.784 0.000) 7.229 13.485 ( -3.894 -5.626 0.000) 6.842 13.775 ( 4.634 5.626 0.000) 7.289 14.078 ( -7.324 1.195 0.000) 7.421 14.317 ( 1.674 8.036 0.000) 8.209 14.525 ( -6.783 2.509 0.000) 7.232 14.941 ( 4.979 -4.368 0.000) 6.624 15.161 ( -4.662 -6.554 0.000) 8.043 15.656 ( 8.671 -1.140 0.000) 8.745 16.084 ( -8.530 -3.951 0.000) 9.401 16.340 ( 6.000 0.485 0.000) 6.019 16.564 ( -0.224 2.916 0.000) 2.925 16.605 ( -7.101 -10.654 0.000) 12.804 16.853 ( -11.271 -1.949 0.000) 11.438 17.127 ( 10.421 -12.872 0.000) 16.562 17.307 ( 9.599 -7.618 0.000) 12.255 17.497 ( -5.875 -8.493 0.000) 10.327 17.570 ( -2.706 -8.268 0.000) 8.699 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -14.714 12.250 0.000) 19.146 1.485 ( 14.714 12.250 0.000) 19.146 1.749 ( -18.632 14.225 0.000) 23.441 1.749 ( 18.632 14.225 0.000) 23.441 2.131 ( -0.355 -1.358 0.000) 1.403 2.131 ( 0.355 -1.358 0.000) 1.403 2.477 ( -2.175 -4.507 0.000) 5.004 2.477 ( 2.175 -4.507 0.000) 5.004 2.550 ( -9.284 9.518 0.000) 13.297 2.550 ( 9.284 9.518 0.000) 13.297 2.774 ( -6.319 -6.535 0.000) 9.090 2.774 ( 6.319 -6.535 0.000) 9.090 2.784 ( -13.729 4.279 0.000) 14.380 2.784 ( 13.729 4.279 0.000) 14.380 2.924 ( -5.952 13.046 0.000) 14.340 2.924 ( 5.952 13.046 0.000) 14.340 2.977 ( -1.123 14.698 0.000) 14.741 2.977 ( 1.123 14.698 0.000) 14.741 3.299 ( -5.271 -6.678 0.000) 8.508 3.299 ( 5.271 -6.678 0.000) 8.508 3.544 ( -5.148 -0.408 0.000) 5.164 3.544 ( 5.148 -0.408 0.000) 5.164 3.625 ( -0.715 -4.768 0.000) 4.821 3.625 ( 0.715 -4.768 0.000) 4.821 3.852 ( -9.194 7.439 0.000) 11.827 3.852 ( 9.194 7.439 0.000) 11.827 4.021 ( -0.692 -3.150 0.000) 3.226 4.021 ( 0.692 -3.150 0.000) 3.226 4.239 ( -10.232 -5.878 0.000) 11.800 4.239 ( 10.232 -5.878 0.000) 11.800 4.412 ( -2.379 11.315 0.000) 11.563 4.412 ( 2.379 11.315 0.000) 11.563 4.693 ( -0.221 20.366 0.000) 20.367 4.693 ( 0.221 20.366 0.000) 20.367 4.936 ( -3.254 6.439 0.000) 7.214 4.936 ( 3.254 6.439 0.000) 7.214 5.040 ( -10.273 0.814 0.000) 10.305 5.040 ( 10.273 0.814 0.000) 10.305 5.227 ( -2.993 3.521 0.000) 4.621 5.227 ( 2.993 3.521 0.000) 4.621 5.341 ( -5.025 0.319 0.000) 5.035 5.341 ( 5.025 0.319 0.000) 5.035 5.628 ( -7.096 12.336 0.000) 14.232 5.628 ( 7.096 12.336 0.000) 14.232 5.883 ( -7.793 3.120 0.000) 8.394 5.883 ( 7.793 3.120 0.000) 8.394 6.063 ( -6.311 7.115 0.000) 9.510 6.063 ( 6.311 7.115 0.000) 9.510 7.053 ( -0.642 1.489 0.000) 1.622 7.053 ( 0.642 1.489 0.000) 1.622 7.222 ( -4.432 0.528 0.000) 4.464 7.222 ( 4.432 0.528 0.000) 4.464 7.325 ( -2.274 -1.681 0.000) 2.828 7.325 ( 2.274 -1.681 0.000) 2.828 7.557 ( -9.395 31.800 0.000) 33.158 7.557 ( 9.395 31.800 0.000) 33.158 7.684 ( -7.843 5.734 0.000) 9.716 7.684 ( 7.843 5.734 0.000) 9.716 7.891 ( -11.954 5.317 0.000) 13.083 7.891 ( 11.954 5.317 0.000) 13.083 8.303 ( -3.496 4.460 0.000) 5.666 8.303 ( 3.496 4.460 0.000) 5.666 8.872 ( -5.232 1.143 0.000) 5.355 8.872 ( 5.232 1.143 0.000) 5.355 8.935 ( -11.760 8.320 0.000) 14.406 8.935 ( 11.760 8.320 0.000) 14.406 9.297 ( -4.483 0.395 0.000) 4.501 9.297 ( 4.483 0.395 0.000) 4.501 9.687 ( -3.644 16.576 0.000) 16.972 9.687 ( 3.644 16.576 0.000) 16.972 10.133 ( -1.153 17.408 0.000) 17.446 10.133 ( 1.153 17.408 0.000) 17.446 10.277 ( -7.319 16.982 0.000) 18.492 10.277 ( 7.319 16.982 0.000) 18.492 10.786 ( -2.420 0.033 0.000) 2.420 10.786 ( 2.420 0.033 0.000) 2.420 10.858 ( -10.426 5.403 0.000) 11.743 10.858 ( 10.426 5.403 0.000) 11.743 11.227 ( -11.156 3.957 0.000) 11.837 11.227 ( 11.156 3.957 0.000) 11.837 11.518 ( -3.758 9.552 0.000) 10.265 11.518 ( 3.758 9.552 0.000) 10.265 11.791 ( -1.286 7.284 0.000) 7.397 11.791 ( 1.286 7.284 0.000) 7.397 12.368 ( -0.142 4.811 0.000) 4.813 12.368 ( 0.142 4.811 0.000) 4.813 12.578 ( -2.442 -3.169 0.000) 4.001 12.578 ( 2.442 -3.169 0.000) 4.001 13.235 ( -0.306 -9.900 0.000) 9.904 13.235 ( 0.306 -9.900 0.000) 9.904 13.372 ( -6.146 -2.871 0.000) 6.783 13.372 ( 6.146 -2.871 0.000) 6.783 13.909 ( -8.191 1.266 0.000) 8.289 13.909 ( 8.191 1.266 0.000) 8.289 14.394 ( -5.587 5.730 0.000) 8.003 14.394 ( 5.587 5.730 0.000) 8.003 15.051 ( -5.668 -4.766 0.000) 7.406 15.051 ( 5.668 -4.766 0.000) 7.406 15.869 ( -11.420 2.493 0.000) 11.689 15.869 ( 11.420 2.493 0.000) 11.689 16.471 ( -6.256 -8.334 0.000) 10.421 16.471 ( 6.256 -8.334 0.000) 10.421 16.646 ( -8.152 0.374 0.000) 8.161 16.646 ( 8.152 0.374 0.000) 8.161 17.338 ( -9.556 -10.396 0.000) 14.121 17.338 ( 9.556 -10.396 0.000) 14.121 17.474 ( -6.618 -8.290 0.000) 10.608 17.474 ( 6.618 -8.290 0.000) 10.608 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 0.000 22.993 0.000) 22.993 1.484 ( 0.000 22.852 0.000) 22.852 1.876 ( 0.000 2.057 0.000) 2.057 2.099 ( 0.000 -0.699 0.000) 0.699 2.105 ( 0.000 -0.643 0.000) 0.643 2.321 ( 0.000 4.180 0.000) 4.180 2.349 ( 0.000 -4.580 0.000) 4.580 2.459 ( 0.000 3.501 0.000) 3.501 2.472 ( 0.000 -7.191 0.000) 7.191 2.531 ( 0.000 -4.769 0.000) 4.769 2.710 ( 0.000 -9.907 0.000) 9.907 2.761 ( 0.000 -6.390 0.000) 6.390 2.813 ( 0.000 2.045 0.000) 2.045 2.870 ( 0.000 -2.297 0.000) 2.297 3.041 ( 0.000 -2.601 0.000) 2.601 3.224 ( 0.000 -8.484 0.000) 8.484 3.262 ( 0.000 3.213 0.000) 3.213 3.266 ( 0.000 19.978 0.000) 19.978 3.334 ( 0.000 14.313 0.000) 14.313 3.388 ( 0.000 6.973 0.000) 6.973 3.487 ( 0.000 2.535 0.000) 2.535 3.498 ( 0.000 14.227 0.000) 14.227 3.689 ( 0.000 1.398 0.000) 1.398 3.748 ( 0.000 -3.983 0.000) 3.983 3.782 ( 0.000 -7.855 0.000) 7.855 3.809 ( 0.000 -7.076 0.000) 7.076 3.984 ( 0.000 -0.554 0.000) 0.554 4.200 ( 0.000 6.932 0.000) 6.932 4.216 ( 0.000 1.432 0.000) 1.432 4.367 ( 0.000 4.209 0.000) 4.209 4.423 ( 0.000 7.406 0.000) 7.406 4.492 ( 0.000 -5.092 0.000) 5.092 4.707 ( 0.000 -2.031 0.000) 2.031 4.787 ( 0.000 6.647 0.000) 6.647 4.960 ( 0.000 14.424 0.000) 14.424 5.029 ( 0.000 5.207 0.000) 5.207 5.030 ( 0.000 3.730 0.000) 3.730 5.148 ( 0.000 1.867 0.000) 1.867 5.358 ( 0.000 -0.086 0.000) 0.086 5.361 ( 0.000 -0.923 0.000) 0.923 5.393 ( 0.000 4.748 0.000) 4.748 5.486 ( 0.000 0.345 0.000) 0.345 5.512 ( 0.000 4.450 0.000) 4.450 5.830 ( 0.000 -11.717 0.000) 11.717 6.006 ( 0.000 26.508 0.000) 26.508 6.088 ( 0.000 17.651 0.000) 17.651 6.331 ( 0.000 18.953 0.000) 18.953 6.365 ( 0.000 8.119 0.000) 8.119 7.075 ( 0.000 -1.507 0.000) 1.507 7.146 ( 0.000 1.664 0.000) 1.664 7.175 ( 0.000 -1.968 0.000) 1.968 7.264 ( 0.000 -6.576 0.000) 6.576 7.314 ( 0.000 -4.926 0.000) 4.926 7.385 ( 0.000 2.624 0.000) 2.624 7.540 ( 0.000 -8.270 0.000) 8.270 7.635 ( 0.000 16.363 0.000) 16.363 7.668 ( 0.000 -3.858 0.000) 3.858 7.935 ( 0.000 26.579 0.000) 26.579 8.381 ( 0.000 9.753 0.000) 9.753 8.471 ( 0.000 6.711 0.000) 6.711 8.539 ( 0.000 5.467 0.000) 5.467 8.580 ( 0.000 -0.162 0.000) 0.162 8.604 ( 0.000 5.293 0.000) 5.293 8.678 ( 0.000 15.314 0.000) 15.314 9.001 ( 0.000 -10.217 0.000) 10.217 9.074 ( 0.000 11.786 0.000) 11.786 9.219 ( 0.000 0.419 0.000) 0.419 9.650 ( 0.000 11.162 0.000) 11.162 9.786 ( 0.000 -4.905 0.000) 4.905 9.843 ( 0.000 0.236 0.000) 0.236 9.916 ( 0.000 18.478 0.000) 18.478 10.250 ( 0.000 -5.385 0.000) 5.385 10.323 ( 0.000 6.240 0.000) 6.240 10.465 ( 0.000 16.966 0.000) 16.966 10.787 ( 0.000 13.717 0.000) 13.717 10.833 ( 0.000 22.758 0.000) 22.758 11.091 ( 0.000 21.867 0.000) 21.867 11.306 ( 0.000 18.824 0.000) 18.824 11.312 ( 0.000 9.800 0.000) 9.800 11.827 ( 0.000 8.505 0.000) 8.505 11.828 ( 0.000 13.220 0.000) 13.220 11.859 ( 0.000 15.400 0.000) 15.400 11.960 ( 0.000 8.480 0.000) 8.480 12.140 ( 0.000 12.515 0.000) 12.515 12.282 ( 0.000 0.922 0.000) 0.922 12.432 ( 0.000 -4.198 0.000) 4.198 12.447 ( 0.000 -17.212 0.000) 17.212 12.702 ( 0.000 6.394 0.000) 6.394 13.001 ( 0.000 -15.619 0.000) 15.619 13.022 ( 0.000 -12.973 0.000) 12.973 13.091 ( 0.000 -3.805 0.000) 3.805 13.326 ( 0.000 -11.262 0.000) 11.262 14.062 ( 0.000 23.420 0.000) 23.420 14.200 ( 0.000 1.510 0.000) 1.510 14.454 ( 0.000 7.709 0.000) 7.709 14.679 ( 0.000 -13.838 0.000) 13.838 14.815 ( 0.000 17.334 0.000) 17.334 15.049 ( 0.000 -8.589 0.000) 8.589 15.514 ( 0.000 -0.024 0.000) 0.024 15.789 ( 0.000 -23.432 0.000) 23.432 16.453 ( 0.000 12.059 0.000) 12.059 16.485 ( 0.000 -13.660 0.000) 13.660 16.655 ( 0.000 -17.663 0.000) 17.663 16.758 ( 0.000 9.544 0.000) 9.544 16.964 ( 0.000 -4.843 0.000) 4.843 17.014 ( 0.000 -3.967 0.000) 3.967 17.365 ( 0.000 -13.172 0.000) 13.172 17.416 ( 0.000 -9.098 0.000) 9.098 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 19.044 17.370 0.000) 25.776 1.565 ( 7.292 19.611 0.000) 20.923 1.852 ( -2.827 4.626 0.000) 5.422 2.088 ( -1.073 -0.861 0.000) 1.376 2.103 ( -0.176 -0.978 0.000) 0.993 2.272 ( -6.587 7.159 0.000) 9.728 2.356 ( 1.242 -4.867 0.000) 5.023 2.425 ( -2.006 -0.079 0.000) 2.007 2.498 ( 2.350 -6.319 0.000) 6.742 2.542 ( 1.260 -2.944 0.000) 3.202 2.710 ( -5.790 1.041 0.000) 5.882 2.728 ( -3.977 -7.975 0.000) 8.911 2.731 ( 1.487 -5.478 0.000) 5.676 2.931 ( -8.280 -5.185 0.000) 9.769 2.947 ( 5.000 -6.550 0.000) 8.240 3.143 ( -4.627 -3.088 0.000) 5.562 3.242 ( -2.574 7.432 0.000) 7.865 3.259 ( -1.806 9.837 0.000) 10.001 3.375 ( 1.886 18.072 0.000) 18.170 3.416 ( 5.174 4.029 0.000) 6.558 3.518 ( 2.444 3.145 0.000) 3.983 3.555 ( 2.681 8.659 0.000) 9.064 3.642 ( -3.084 -1.593 0.000) 3.471 3.758 ( 4.473 0.397 0.000) 4.491 3.832 ( -13.091 19.864 0.000) 23.790 3.882 ( -0.265 -5.822 0.000) 5.828 3.891 ( 8.000 -8.225 0.000) 11.474 3.980 ( -0.428 -0.532 0.000) 0.683 4.164 ( -9.335 0.713 0.000) 9.362 4.305 ( -10.641 -6.040 0.000) 12.235 4.496 ( 5.487 5.567 0.000) 7.816 4.678 ( 17.592 3.525 0.000) 17.942 4.744 ( -4.319 8.212 0.000) 9.279 4.876 ( 10.090 -0.499 0.000) 10.103 4.969 ( 1.296 10.201 0.000) 10.283 5.021 ( -0.474 3.976 0.000) 4.005 5.041 ( 0.491 5.195 0.000) 5.219 5.212 ( 5.527 0.709 0.000) 5.573 5.245 ( -9.179 0.171 0.000) 9.181 5.319 ( -1.176 3.258 0.000) 3.464 5.386 ( -2.040 4.291 0.000) 4.751 5.474 ( -3.818 3.467 0.000) 5.157 5.596 ( 7.626 -3.829 0.000) 8.534 5.820 ( -1.659 -11.729 0.000) 11.846 6.004 ( 0.004 24.128 0.000) 24.128 6.054 ( -2.575 17.791 0.000) 17.977 6.315 ( -1.031 18.142 0.000) 18.171 6.352 ( -1.410 9.996 0.000) 10.095 7.074 ( 0.132 0.347 0.000) 0.372 7.123 ( -1.966 0.840 0.000) 2.138 7.193 ( 1.205 -3.456 0.000) 3.661 7.223 ( -2.832 -2.016 0.000) 3.477 7.255 ( -3.419 -3.338 0.000) 4.778 7.335 ( -3.852 -0.788 0.000) 3.932 7.554 ( 1.280 -7.939 0.000) 8.041 7.618 ( -1.274 -1.409 0.000) 1.900 7.769 ( 9.369 11.461 0.000) 14.803 8.060 ( 10.392 23.559 0.000) 25.749 8.334 ( -12.734 8.456 0.000) 15.286 8.436 ( -1.429 7.389 0.000) 7.526 8.449 ( -3.798 9.372 0.000) 10.113 8.530 ( -9.842 17.920 0.000) 20.445 8.709 ( 7.846 -1.110 0.000) 7.924 8.730 ( 16.497 9.159 0.000) 18.869 9.025 ( -5.151 -1.873 0.000) 5.481 9.123 ( 3.606 9.100 0.000) 9.788 9.170 ( 4.618 -2.291 0.000) 5.155 9.657 ( -16.493 6.473 0.000) 17.717 9.828 ( 3.261 -1.275 0.000) 3.502 9.886 ( -1.532 9.203 0.000) 9.330 10.067 ( 29.189 3.899 0.000) 29.448 10.388 ( 14.703 -3.739 0.000) 15.171 10.440 ( 8.515 7.964 0.000) 11.659 10.521 ( 5.294 18.677 0.000) 19.413 10.745 ( -7.006 22.317 0.000) 23.391 10.797 ( 1.642 12.004 0.000) 12.116 11.062 ( -5.640 18.718 0.000) 19.549 11.312 ( 0.113 9.658 0.000) 9.659 11.328 ( 0.537 19.537 0.000) 19.545 11.550 ( -21.394 5.065 0.000) 21.985 11.792 ( -5.534 14.267 0.000) 15.302 11.803 ( -6.514 6.132 0.000) 8.946 11.961 ( 0.063 8.810 0.000) 8.810 11.987 ( -5.587 9.670 0.000) 11.168 12.405 ( 5.683 5.634 0.000) 8.002 12.446 ( 1.016 -3.105 0.000) 3.267 12.455 ( 1.107 -12.148 0.000) 12.198 12.649 ( -4.918 6.147 0.000) 7.872 12.985 ( 0.013 -14.511 0.000) 14.511 13.011 ( -0.786 -13.673 0.000) 13.696 13.171 ( 5.262 -6.029 0.000) 8.002 13.316 ( -1.347 -11.260 0.000) 11.340 14.029 ( -2.306 19.718 0.000) 19.852 14.109 ( -6.654 2.992 0.000) 7.296 14.491 ( 3.070 9.352 0.000) 9.843 14.626 ( -3.317 1.960 0.000) 3.853 14.878 ( 3.998 3.457 0.000) 5.285 15.020 ( -2.631 -7.273 0.000) 7.734 15.632 ( 9.373 -2.148 0.000) 9.616 15.799 ( 0.663 -21.510 0.000) 21.520 16.380 ( -4.432 -10.449 0.000) 11.350 16.459 ( -0.728 10.201 0.000) 10.227 16.701 ( -3.683 9.571 0.000) 10.255 16.811 ( 0.157 -7.604 0.000) 7.606 16.866 ( 5.592 -7.932 0.000) 9.705 17.149 ( 7.398 -8.374 0.000) 11.174 17.290 ( -6.841 -12.675 0.000) 14.404 17.384 ( -3.376 -10.600 0.000) 11.124 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( -7.612 12.226 0.000) 14.402 1.732 ( 7.612 12.226 0.000) 14.402 1.968 ( -16.609 8.701 0.000) 18.750 1.968 ( 16.609 8.701 0.000) 18.750 2.111 ( -2.311 0.350 0.000) 2.337 2.111 ( 2.311 0.350 0.000) 2.337 2.397 ( -1.804 -2.857 0.000) 3.379 2.397 ( 1.804 -2.857 0.000) 3.379 2.553 ( -1.961 -4.008 0.000) 4.462 2.553 ( 1.961 -4.008 0.000) 4.462 2.637 ( -0.726 -4.473 0.000) 4.532 2.637 ( 0.726 -4.473 0.000) 4.532 2.793 ( -4.832 -4.591 0.000) 6.665 2.793 ( 4.832 -4.591 0.000) 6.665 3.051 ( -4.857 -7.376 0.000) 8.831 3.051 ( 4.857 -7.376 0.000) 8.831 3.214 ( -0.901 9.230 0.000) 9.274 3.214 ( 0.901 9.230 0.000) 9.274 3.490 ( -1.251 -2.208 0.000) 2.537 3.490 ( 1.251 -2.208 0.000) 2.537 3.535 ( -6.497 17.369 0.000) 18.545 3.535 ( 6.497 17.369 0.000) 18.545 3.606 ( -3.150 10.326 0.000) 10.796 3.606 ( 3.150 10.326 0.000) 10.796 3.928 ( -6.015 3.255 0.000) 6.839 3.928 ( 6.015 3.255 0.000) 6.839 3.957 ( -3.060 -2.352 0.000) 3.859 3.957 ( 3.060 -2.352 0.000) 3.859 4.088 ( -10.370 -6.866 0.000) 12.437 4.088 ( 10.370 -6.866 0.000) 12.437 4.625 ( -6.743 7.539 0.000) 10.115 4.625 ( 6.743 7.539 0.000) 10.115 4.991 ( -4.258 9.704 0.000) 10.597 4.991 ( 4.258 9.704 0.000) 10.597 5.010 ( -9.636 -1.634 0.000) 9.773 5.010 ( 9.636 -1.634 0.000) 9.773 5.025 ( -2.391 2.095 0.000) 3.179 5.025 ( 2.391 2.095 0.000) 3.179 5.327 ( -3.402 1.277 0.000) 3.634 5.327 ( 3.402 1.277 0.000) 3.634 5.361 ( -6.399 4.134 0.000) 7.619 5.361 ( 6.399 4.134 0.000) 7.619 5.741 ( -5.999 -8.137 0.000) 10.110 5.741 ( 5.999 -8.137 0.000) 10.110 6.014 ( -1.126 19.130 0.000) 19.163 6.014 ( 1.126 19.130 0.000) 19.163 6.317 ( -1.420 14.796 0.000) 14.864 6.317 ( 1.420 14.796 0.000) 14.864 7.087 ( -1.257 1.203 0.000) 1.739 7.087 ( 1.257 1.203 0.000) 1.739 7.190 ( -0.009 -1.860 0.000) 1.860 7.190 ( 0.009 -1.860 0.000) 1.860 7.261 ( -2.940 -3.083 0.000) 4.260 7.261 ( 2.940 -3.083 0.000) 4.260 7.586 ( -1.768 -6.370 0.000) 6.611 7.586 ( 1.768 -6.370 0.000) 6.611 8.028 ( -15.290 11.653 0.000) 19.224 8.028 ( 15.290 11.653 0.000) 19.224 8.295 ( -11.931 17.025 0.000) 20.790 8.295 ( 11.931 17.025 0.000) 20.790 8.411 ( -0.197 14.166 0.000) 14.167 8.411 ( 0.197 14.166 0.000) 14.167 8.875 ( -8.181 -1.133 0.000) 8.259 8.875 ( 8.181 -1.133 0.000) 8.259 9.110 ( -11.306 9.372 0.000) 14.685 9.110 ( 11.306 9.372 0.000) 14.685 9.303 ( -11.957 1.569 0.000) 12.060 9.303 ( 11.957 1.569 0.000) 12.060 9.860 ( -0.970 4.352 0.000) 4.459 9.860 ( 0.970 4.352 0.000) 4.459 10.539 ( -8.752 0.118 0.000) 8.753 10.539 ( 8.752 0.118 0.000) 8.753 10.602 ( -1.438 25.652 0.000) 25.692 10.602 ( 1.438 25.652 0.000) 25.692 10.766 ( -21.453 8.508 0.000) 23.078 10.766 ( 21.453 8.508 0.000) 23.078 11.032 ( -23.577 8.909 0.000) 25.204 11.032 ( 23.577 8.909 0.000) 25.204 11.332 ( -2.384 6.648 0.000) 7.062 11.332 ( 2.384 6.648 0.000) 7.062 11.703 ( -1.034 10.296 0.000) 10.348 11.703 ( 1.034 10.296 0.000) 10.348 11.959 ( -0.228 9.890 0.000) 9.893 11.959 ( 0.228 9.890 0.000) 9.893 12.459 ( -0.081 -1.447 0.000) 1.450 12.459 ( 0.081 -1.447 0.000) 1.450 12.529 ( -5.959 2.662 0.000) 6.526 12.529 ( 5.959 2.662 0.000) 6.526 12.997 ( -0.713 -14.527 0.000) 14.545 12.997 ( 0.713 -14.527 0.000) 14.545 13.264 ( -3.698 -9.199 0.000) 9.914 13.264 ( 3.698 -9.199 0.000) 9.914 14.015 ( -1.766 11.256 0.000) 11.394 14.015 ( 1.766 11.256 0.000) 11.394 14.559 ( -3.392 9.027 0.000) 9.643 14.559 ( 3.392 9.027 0.000) 9.643 14.954 ( -3.585 -3.685 0.000) 5.141 14.954 ( 3.585 -3.685 0.000) 5.141 15.782 ( -3.679 -13.088 0.000) 13.595 15.782 ( 3.679 -13.088 0.000) 13.595 16.383 ( -4.496 2.350 0.000) 5.074 16.383 ( 4.496 2.350 0.000) 5.074 16.708 ( -4.225 5.587 0.000) 7.005 16.708 ( 4.225 5.587 0.000) 7.005 17.101 ( -11.367 -13.674 0.000) 17.782 17.101 ( 11.367 -13.674 0.000) 17.782 17.286 ( -5.972 -10.727 0.000) 12.277 17.286 ( 5.972 -10.727 0.000) 12.277 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 0.000 16.990 0.000) 16.990 1.878 ( 0.000 16.284 0.000) 16.284 1.895 ( 0.000 -0.900 0.000) 0.900 2.067 ( 0.000 -3.745 0.000) 3.745 2.114 ( 0.000 3.581 0.000) 3.581 2.312 ( 0.000 -11.591 0.000) 11.591 2.316 ( 0.000 1.327 0.000) 1.327 2.366 ( 0.000 1.516 0.000) 1.516 2.419 ( 0.000 -11.741 0.000) 11.741 2.449 ( 0.000 -5.195 0.000) 5.195 2.516 ( 0.000 3.431 0.000) 3.431 2.620 ( 0.000 -6.691 0.000) 6.691 2.850 ( 0.000 1.442 0.000) 1.442 2.864 ( 0.000 -0.123 0.000) 0.123 2.948 ( 0.000 -0.000 0.000) 0.000 3.047 ( 0.000 -8.337 0.000) 8.337 3.429 ( 0.000 4.020 0.000) 4.020 3.448 ( 0.000 9.779 0.000) 9.779 3.469 ( 0.000 0.750 0.000) 0.750 3.548 ( 0.000 4.236 0.000) 4.236 3.561 ( 0.000 4.731 0.000) 4.731 3.624 ( 0.000 -2.721 0.000) 2.721 3.664 ( 0.000 -2.639 0.000) 2.639 3.684 ( 0.000 -3.460 0.000) 3.460 3.703 ( 0.000 -0.772 0.000) 0.772 3.711 ( 0.000 -3.805 0.000) 3.805 4.218 ( 0.000 0.374 0.000) 0.374 4.251 ( 0.000 -1.981 0.000) 1.981 4.290 ( 0.000 27.185 0.000) 27.185 4.468 ( 0.000 3.999 0.000) 3.999 4.481 ( 0.000 3.351 0.000) 3.351 4.516 ( 0.000 3.718 0.000) 3.718 4.632 ( 0.000 -5.795 0.000) 5.795 4.709 ( 0.000 -13.311 0.000) 13.311 5.083 ( 0.000 2.410 0.000) 2.410 5.129 ( 0.000 -2.211 0.000) 2.211 5.179 ( 0.000 9.500 0.000) 9.500 5.180 ( 0.000 7.769 0.000) 7.769 5.314 ( 0.000 -3.955 0.000) 3.955 5.383 ( 0.000 3.169 0.000) 3.169 5.385 ( 0.000 -7.635 0.000) 7.635 5.459 ( 0.000 -3.515 0.000) 3.515 5.582 ( 0.000 2.329 0.000) 2.329 5.628 ( 0.000 -4.992 0.000) 4.992 6.426 ( 0.000 14.555 0.000) 14.555 6.426 ( 0.000 14.550 0.000) 14.550 6.514 ( 0.000 4.557 0.000) 4.557 6.569 ( 0.000 2.136 0.000) 2.136 7.119 ( 0.000 -2.581 0.000) 2.581 7.127 ( 0.000 8.249 0.000) 8.249 7.138 ( 0.000 -5.084 0.000) 5.084 7.162 ( 0.000 0.973 0.000) 0.973 7.219 ( 0.000 -4.442 0.000) 4.442 7.343 ( 0.000 -11.590 0.000) 11.590 7.457 ( 0.000 4.976 0.000) 4.976 7.564 ( 0.000 -5.718 0.000) 5.718 7.947 ( 0.000 13.643 0.000) 13.643 8.125 ( 0.000 -3.269 0.000) 3.269 8.499 ( 0.000 4.139 0.000) 4.139 8.542 ( 0.000 0.355 0.000) 0.355 8.604 ( 0.000 1.636 0.000) 1.636 8.610 ( 0.000 1.211 0.000) 1.211 8.689 ( 0.000 5.089 0.000) 5.089 8.817 ( 0.000 -8.202 0.000) 8.202 8.991 ( 0.000 13.365 0.000) 13.365 9.176 ( 0.000 -5.534 0.000) 5.534 9.395 ( 0.000 18.705 0.000) 18.705 9.708 ( 0.000 -12.335 0.000) 12.335 9.751 ( 0.000 1.585 0.000) 1.585 9.794 ( 0.000 0.550 0.000) 0.550 10.256 ( 0.000 8.034 0.000) 8.034 10.262 ( 0.000 14.672 0.000) 14.672 10.411 ( 0.000 -0.130 0.000) 0.130 10.459 ( 0.000 -9.169 0.000) 9.169 11.183 ( 0.000 12.365 0.000) 12.365 11.250 ( 0.000 22.392 0.000) 22.392 11.322 ( 0.000 -0.473 0.000) 0.473 11.449 ( 0.000 1.587 0.000) 1.587 11.600 ( 0.000 17.375 0.000) 17.375 11.927 ( 0.000 -8.331 0.000) 8.331 12.008 ( 0.000 6.010 0.000) 6.010 12.094 ( 0.000 7.161 0.000) 7.161 12.155 ( 0.000 -5.250 0.000) 5.250 12.217 ( 0.000 -14.482 0.000) 14.482 12.304 ( 0.000 21.007 0.000) 21.007 12.355 ( 0.000 9.357 0.000) 9.357 12.500 ( 0.000 25.951 0.000) 25.951 12.660 ( 0.000 -18.569 0.000) 18.569 12.686 ( 0.000 -16.593 0.000) 16.593 12.899 ( 0.000 8.220 0.000) 8.220 12.933 ( 0.000 -14.864 0.000) 14.864 13.100 ( 0.000 -11.404 0.000) 11.404 14.242 ( 0.000 3.892 0.000) 3.892 14.397 ( 0.000 -12.575 0.000) 12.575 14.540 ( 0.000 19.702 0.000) 19.702 14.598 ( 0.000 6.298 0.000) 6.298 14.933 ( 0.000 1.246 0.000) 1.246 15.221 ( 0.000 21.203 0.000) 21.203 15.288 ( 0.000 -26.772 0.000) 26.772 15.500 ( 0.000 -5.137 0.000) 5.137 16.254 ( 0.000 -6.261 0.000) 6.261 16.338 ( 0.000 -12.993 0.000) 12.993 16.723 ( 0.000 14.994 0.000) 14.994 16.914 ( 0.000 -0.346 0.000) 0.346 16.926 ( 0.000 3.090 0.000) 3.090 16.943 ( 0.000 -2.960 0.000) 2.960 17.114 ( 0.000 -7.869 0.000) 7.869 17.222 ( 0.000 -10.370 0.000) 10.370 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 10.015 11.032 0.000) 14.900 1.898 ( 1.683 13.253 0.000) 13.360 1.918 ( 1.625 1.836 0.000) 2.451 2.053 ( -1.203 -3.505 0.000) 3.706 2.110 ( 0.560 3.922 0.000) 3.962 2.266 ( 0.703 -6.910 0.000) 6.946 2.379 ( -0.351 4.308 0.000) 4.322 2.409 ( 5.141 -0.541 0.000) 5.170 2.442 ( -5.482 3.853 0.000) 6.700 2.490 ( 2.612 -4.936 0.000) 5.584 2.517 ( 7.290 -11.118 0.000) 13.295 2.569 ( -4.071 -7.908 0.000) 8.895 2.761 ( -6.245 4.141 0.000) 7.493 2.850 ( -8.046 1.190 0.000) 8.134 2.853 ( -1.967 -4.640 0.000) 5.040 2.971 ( -6.152 -9.211 0.000) 11.076 3.390 ( -1.283 4.667 0.000) 4.840 3.448 ( -0.826 -1.637 0.000) 1.833 3.463 ( 0.374 8.396 0.000) 8.405 3.535 ( -5.012 9.135 0.000) 10.420 3.566 ( 0.637 4.381 0.000) 4.427 3.578 ( -1.468 -4.122 0.000) 4.376 3.677 ( 0.848 -4.242 0.000) 4.326 3.736 ( -1.169 -9.144 0.000) 9.218 3.755 ( 9.286 -0.322 0.000) 9.291 3.800 ( 8.341 -2.624 0.000) 8.744 4.143 ( -7.790 3.300 0.000) 8.460 4.172 ( -5.495 -0.635 0.000) 5.531 4.293 ( 0.041 27.196 0.000) 27.197 4.307 ( -5.491 13.042 0.000) 14.151 4.518 ( 4.488 -4.723 0.000) 6.516 4.701 ( -1.295 -12.329 0.000) 12.397 4.736 ( 13.511 3.575 0.000) 13.975 4.825 ( 12.786 -4.689 0.000) 13.618 5.091 ( 0.834 3.766 0.000) 3.857 5.140 ( -3.109 8.995 0.000) 9.517 5.160 ( -2.554 5.900 0.000) 6.429 5.167 ( 3.117 -3.803 0.000) 4.917 5.226 ( -7.368 -2.246 0.000) 7.703 5.353 ( -3.852 -8.835 0.000) 9.638 5.400 ( 2.006 4.665 0.000) 5.078 5.501 ( 3.402 -5.426 0.000) 6.404 5.543 ( -3.461 3.264 0.000) 4.757 5.615 ( -1.346 -5.969 0.000) 6.118 6.394 ( -2.220 14.493 0.000) 14.662 6.403 ( -1.882 14.668 0.000) 14.789 6.513 ( -0.285 3.609 0.000) 3.620 6.536 ( -2.312 1.867 0.000) 2.972 7.091 ( -1.527 -1.137 0.000) 1.904 7.122 ( -1.373 3.539 0.000) 3.796 7.144 ( 0.071 -5.329 0.000) 5.330 7.163 ( -0.707 0.120 0.000) 0.717 7.204 ( 1.345 0.994 0.000) 1.672 7.368 ( 2.364 -10.697 0.000) 10.955 7.393 ( -5.278 5.712 0.000) 7.777 7.517 ( -3.853 -6.473 0.000) 7.533 8.033 ( 7.755 12.232 0.000) 14.483 8.197 ( 6.235 -3.648 0.000) 7.223 8.456 ( -8.164 3.862 0.000) 9.031 8.485 ( -4.957 0.545 0.000) 4.987 8.634 ( 3.512 5.590 0.000) 6.601 8.688 ( 6.033 -1.314 0.000) 6.174 8.762 ( 2.914 7.905 0.000) 8.425 8.911 ( 2.988 -6.877 0.000) 7.498 8.998 ( 7.718 11.161 0.000) 13.569 9.132 ( 2.613 -3.268 0.000) 4.184 9.374 ( -2.413 15.145 0.000) 15.336 9.622 ( -8.815 -8.861 0.000) 12.499 9.872 ( 8.256 6.206 0.000) 10.328 10.030 ( 17.548 -7.830 0.000) 19.215 10.157 ( -7.621 16.901 0.000) 18.539 10.417 ( 17.443 8.013 0.000) 19.195 10.429 ( -0.787 -8.712 0.000) 8.747 10.578 ( 12.946 -6.142 0.000) 14.329 11.130 ( -4.251 16.115 0.000) 16.667 11.240 ( -0.686 22.091 0.000) 22.102 11.340 ( 0.403 -3.019 0.000) 3.046 11.441 ( -0.705 1.150 0.000) 1.349 11.491 ( -14.238 15.192 0.000) 20.821 11.742 ( -21.972 -3.042 0.000) 22.181 11.912 ( -5.534 11.475 0.000) 12.740 11.980 ( -2.860 7.164 0.000) 7.713 12.124 ( -3.688 -6.250 0.000) 7.257 12.152 ( -3.849 -3.466 0.000) 5.180 12.330 ( 2.576 10.758 0.000) 11.062 12.349 ( 2.435 9.062 0.000) 9.384 12.611 ( 5.607 16.082 0.000) 17.032 12.658 ( 0.592 -17.873 0.000) 17.883 12.681 ( -0.480 -16.505 0.000) 16.512 12.847 ( -4.741 9.434 0.000) 10.559 12.965 ( 2.270 -15.981 0.000) 16.141 13.075 ( -2.336 -12.663 0.000) 12.876 14.240 ( 1.525 10.481 0.000) 10.591 14.439 ( -6.448 18.412 0.000) 19.509 14.477 ( 5.625 -12.410 0.000) 13.625 14.631 ( -0.134 0.727 0.000) 0.740 14.960 ( 2.965 6.860 0.000) 7.473 15.157 ( -5.097 19.205 0.000) 19.869 15.329 ( 3.739 -25.026 0.000) 25.304 15.496 ( -1.835 -13.308 0.000) 13.434 16.307 ( 8.327 4.799 0.000) 9.611 16.524 ( 13.666 -15.147 0.000) 20.401 16.702 ( -3.147 14.139 0.000) 14.485 16.882 ( -1.575 3.937 0.000) 4.241 16.895 ( -2.675 6.855 0.000) 7.358 16.993 ( 3.316 -7.207 0.000) 7.933 17.030 ( -7.770 -10.301 0.000) 12.903 17.164 ( -4.949 -11.732 0.000) 12.733 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -0.689 7.218 0.000) 7.251 1.927 ( 0.689 7.218 0.000) 7.251 2.018 ( -3.142 -2.329 0.000) 3.911 2.018 ( 3.142 -2.329 0.000) 3.911 2.218 ( -10.600 8.588 0.000) 13.642 2.218 ( 10.600 8.588 0.000) 13.642 2.355 ( -6.860 -4.007 0.000) 7.944 2.355 ( 6.860 -4.007 0.000) 7.944 2.482 ( -0.722 0.997 0.000) 1.231 2.482 ( 0.722 0.997 0.000) 1.231 2.592 ( -2.632 -5.512 0.000) 6.108 2.592 ( 2.632 -5.512 0.000) 6.108 2.707 ( -4.208 1.763 0.000) 4.563 2.707 ( 4.208 1.763 0.000) 4.563 2.851 ( -3.787 -10.349 0.000) 11.020 2.851 ( 3.787 -10.349 0.000) 11.020 3.410 ( -3.392 7.705 0.000) 8.418 3.410 ( 3.392 7.705 0.000) 8.418 3.465 ( -1.864 -0.365 0.000) 1.899 3.465 ( 1.864 -0.365 0.000) 1.899 3.572 ( -0.202 2.295 0.000) 2.304 3.572 ( 0.202 2.295 0.000) 2.304 3.699 ( -1.497 -7.669 0.000) 7.814 3.699 ( 1.497 -7.669 0.000) 7.814 3.958 ( -10.076 1.330 0.000) 10.163 3.958 ( 10.076 1.330 0.000) 10.163 3.997 ( -10.191 -2.884 0.000) 10.591 3.997 ( 10.191 -2.884 0.000) 10.591 4.283 ( -0.909 25.312 0.000) 25.328 4.283 ( 0.909 25.312 0.000) 25.328 4.633 ( -5.385 -8.723 0.000) 10.251 4.633 ( 5.385 -8.723 0.000) 10.251 5.001 ( -11.803 2.499 0.000) 12.065 5.001 ( 11.803 2.499 0.000) 12.065 5.051 ( -7.989 -0.723 0.000) 8.022 5.051 ( 7.989 -0.723 0.000) 8.022 5.119 ( -2.378 5.186 0.000) 5.705 5.119 ( 2.378 5.186 0.000) 5.705 5.248 ( -5.133 -7.526 0.000) 9.110 5.248 ( 5.133 -7.526 0.000) 9.110 5.463 ( -3.939 5.051 0.000) 6.406 5.463 ( 3.939 5.051 0.000) 6.406 5.571 ( -3.026 -6.879 0.000) 7.515 5.571 ( 3.026 -6.879 0.000) 7.515 6.373 ( -0.475 14.627 0.000) 14.635 6.373 ( 0.475 14.627 0.000) 14.635 6.508 ( -0.262 2.156 0.000) 2.172 6.508 ( 0.262 2.156 0.000) 2.172 7.085 ( -1.189 0.774 0.000) 1.419 7.085 ( 1.189 0.774 0.000) 1.419 7.147 ( -0.440 -4.097 0.000) 4.120 7.147 ( 0.440 -4.097 0.000) 4.120 7.281 ( -5.207 6.035 0.000) 7.970 7.281 ( 5.207 6.035 0.000) 7.970 7.434 ( -3.949 -8.602 0.000) 9.465 7.434 ( 3.949 -8.602 0.000) 9.465 8.236 ( -11.593 8.828 0.000) 14.572 8.236 ( 11.593 8.828 0.000) 14.572 8.346 ( -7.835 -2.343 0.000) 8.177 8.346 ( 7.835 -2.343 0.000) 8.177 8.719 ( -4.190 8.970 0.000) 9.901 8.719 ( 4.190 8.970 0.000) 9.901 8.826 ( -6.966 -3.681 0.000) 7.879 8.826 ( 6.966 -3.681 0.000) 7.879 9.272 ( -8.787 6.784 0.000) 11.101 9.272 ( 8.787 6.784 0.000) 11.101 9.347 ( -16.857 0.181 0.000) 16.858 9.347 ( 16.857 0.181 0.000) 16.858 10.012 ( -6.404 13.341 0.000) 14.799 10.012 ( 6.404 13.341 0.000) 14.799 10.325 ( -9.904 -16.100 0.000) 18.903 10.325 ( 9.904 -16.100 0.000) 18.903 10.914 ( -24.225 9.053 0.000) 25.861 10.914 ( 24.225 9.053 0.000) 25.861 10.997 ( -25.875 2.130 0.000) 25.962 10.997 ( 25.875 2.130 0.000) 25.962 11.267 ( -6.489 16.678 0.000) 17.896 11.267 ( 6.489 16.678 0.000) 17.896 11.434 ( -1.459 0.906 0.000) 1.717 11.434 ( 1.459 0.906 0.000) 1.717 11.907 ( -3.198 10.419 0.000) 10.899 11.907 ( 3.198 10.419 0.000) 10.899 12.102 ( -0.960 -3.675 0.000) 3.798 12.102 ( 0.960 -3.675 0.000) 3.798 12.372 ( -0.540 6.388 0.000) 6.411 12.372 ( 0.540 6.388 0.000) 6.411 12.668 ( -0.867 -14.993 0.000) 15.018 12.668 ( 0.867 -14.993 0.000) 15.018 12.732 ( -5.889 10.592 0.000) 12.119 12.732 ( 5.889 10.592 0.000) 12.119 13.017 ( -2.970 -15.048 0.000) 15.338 13.017 ( 2.970 -15.048 0.000) 15.338 14.315 ( -5.379 16.891 0.000) 17.727 14.315 ( 5.379 16.891 0.000) 17.727 14.581 ( -4.233 -8.492 0.000) 9.489 14.581 ( 4.233 -8.492 0.000) 9.489 15.048 ( -5.249 14.642 0.000) 15.555 15.048 ( 5.249 14.642 0.000) 15.555 15.421 ( -4.796 -21.204 0.000) 21.740 15.421 ( 4.796 -21.204 0.000) 21.740 16.542 ( -12.089 12.247 0.000) 17.208 16.542 ( 12.089 12.247 0.000) 17.208 16.811 ( -13.332 -12.606 0.000) 18.348 16.811 ( 13.332 -12.606 0.000) 18.348 16.863 ( -0.045 7.137 0.000) 7.137 16.863 ( 0.045 7.137 0.000) 7.137 17.067 ( -4.067 -11.397 0.000) 12.100 17.067 ( 4.067 -11.397 0.000) 12.100 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 0.000 0.000 25.687) 25.687 0.650 ( 0.000 0.000 31.320) 31.320 1.039 ( 0.000 0.000 50.198) 50.198 1.711 ( 0.000 0.000 6.614) 6.614 1.820 ( 0.000 0.000 4.197) 4.197 1.860 ( 0.000 0.000 8.975) 8.975 2.145 ( 0.000 0.000 1.768) 1.768 2.244 ( 0.000 0.000 2.734) 2.734 2.420 ( 0.000 0.000 -7.787) 7.787 2.628 ( 0.000 0.000 -8.159) 8.159 2.630 ( 0.000 0.000 -2.445) 2.445 2.862 ( 0.000 0.000 -1.458) 1.458 2.874 ( 0.000 0.000 2.101) 2.101 2.874 ( 0.000 0.000 -1.148) 1.148 2.910 ( 0.000 0.000 -3.914) 3.914 3.009 ( 0.000 0.000 -5.355) 5.355 3.126 ( 0.000 0.000 -6.572) 6.572 3.146 ( 0.000 0.000 -1.023) 1.023 3.284 ( 0.000 0.000 -3.218) 3.218 3.307 ( 0.000 0.000 -4.467) 4.467 3.369 ( 0.000 0.000 1.975) 1.975 3.447 ( 0.000 0.000 -2.993) 2.993 3.568 ( 0.000 0.000 2.943) 2.943 3.612 ( 0.000 0.000 8.629) 8.629 3.710 ( 0.000 0.000 2.191) 2.191 3.947 ( 0.000 0.000 -0.281) 0.281 4.029 ( 0.000 0.000 -1.644) 1.644 4.049 ( 0.000 0.000 -0.743) 0.743 4.130 ( 0.000 0.000 -1.122) 1.122 4.151 ( 0.000 0.000 11.363) 11.363 4.180 ( 0.000 0.000 0.719) 0.719 4.329 ( 0.000 0.000 -4.184) 4.184 4.368 ( 0.000 0.000 7.361) 7.361 4.583 ( 0.000 0.000 -2.434) 2.434 4.644 ( 0.000 0.000 -5.227) 5.227 4.712 ( 0.000 0.000 -1.470) 1.470 4.722 ( 0.000 0.000 2.091) 2.091 4.763 ( 0.000 0.000 1.504) 1.504 5.099 ( 0.000 0.000 -5.387) 5.387 5.119 ( 0.000 0.000 -3.475) 3.475 5.314 ( 0.000 0.000 4.418) 4.418 5.325 ( 0.000 0.000 -2.142) 2.142 5.533 ( 0.000 0.000 3.860) 3.860 5.634 ( 0.000 0.000 -4.114) 4.114 5.647 ( 0.000 0.000 -0.220) 0.220 5.685 ( 0.000 0.000 -0.194) 0.194 5.800 ( 0.000 0.000 -9.528) 9.528 5.957 ( 0.000 0.000 15.718) 15.718 6.088 ( 0.000 0.000 1.852) 1.852 6.588 ( 0.000 0.000 8.858) 8.858 6.802 ( 0.000 0.000 -0.212) 0.212 6.998 ( 0.000 0.000 -2.125) 2.125 7.156 ( 0.000 0.000 -1.793) 1.793 7.283 ( 0.000 0.000 -3.926) 3.926 7.420 ( 0.000 0.000 -5.095) 5.095 7.635 ( 0.000 0.000 -0.462) 0.462 7.664 ( 0.000 0.000 5.064) 5.064 7.780 ( 0.000 0.000 -6.700) 6.700 8.007 ( 0.000 0.000 1.021) 1.021 8.012 ( 0.000 0.000 -10.908) 10.908 8.080 ( 0.000 0.000 1.968) 1.968 8.144 ( 0.000 0.000 0.820) 0.820 8.505 ( 0.000 0.000 6.226) 6.226 8.669 ( 0.000 0.000 6.136) 6.136 8.672 ( 0.000 0.000 9.790) 9.790 8.811 ( 0.000 0.000 -2.485) 2.485 9.032 ( 0.000 0.000 1.226) 1.226 9.169 ( 0.000 0.000 -13.001) 13.001 9.218 ( 0.000 0.000 0.553) 0.553 9.516 ( 0.000 0.000 -6.682) 6.682 10.050 ( 0.000 0.000 -4.604) 4.604 10.063 ( 0.000 0.000 -7.763) 7.763 10.178 ( 0.000 0.000 5.430) 5.430 10.309 ( 0.000 0.000 -7.063) 7.063 10.312 ( 0.000 0.000 0.544) 0.544 10.474 ( 0.000 0.000 7.245) 7.245 10.481 ( 0.000 0.000 1.834) 1.834 10.498 ( 0.000 0.000 4.504) 4.504 11.131 ( 0.000 0.000 0.766) 0.766 11.271 ( 0.000 0.000 -7.485) 7.485 11.275 ( 0.000 0.000 0.178) 0.178 11.412 ( 0.000 0.000 -20.305) 20.305 11.579 ( 0.000 0.000 -3.228) 3.228 11.693 ( 0.000 0.000 -5.539) 5.539 12.330 ( 0.000 0.000 13.177) 13.177 12.410 ( 0.000 0.000 8.417) 8.417 12.630 ( 0.000 0.000 12.993) 12.993 12.720 ( 0.000 0.000 -0.627) 0.627 12.876 ( 0.000 0.000 -2.263) 2.263 13.293 ( 0.000 0.000 1.530) 1.530 13.341 ( 0.000 0.000 -0.420) 0.420 13.691 ( 0.000 0.000 4.601) 4.601 13.714 ( 0.000 0.000 2.739) 2.739 14.097 ( 0.000 0.000 -1.698) 1.698 14.146 ( 0.000 0.000 -0.905) 0.905 14.703 ( 0.000 0.000 8.136) 8.136 14.894 ( 0.000 0.000 -6.100) 6.100 15.265 ( 0.000 0.000 -27.853) 27.853 15.357 ( 0.000 0.000 -0.805) 0.805 15.767 ( 0.000 0.000 3.960) 3.960 16.395 ( 0.000 0.000 8.714) 8.714 16.469 ( 0.000 0.000 -0.591) 0.591 16.879 ( 0.000 0.000 2.797) 2.797 17.206 ( 0.000 0.000 -1.292) 1.292 17.293 ( 0.000 0.000 -0.985) 0.985 17.677 ( 0.000 0.000 -4.001) 4.001 17.751 ( 0.000 0.000 5.428) 5.428 17.904 ( 0.000 0.000 6.173) 6.173 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 13.715 0.000 19.081) 23.499 0.763 ( 19.362 0.000 18.028) 26.455 1.384 ( -18.258 0.000 8.208) 20.019 1.549 ( 29.059 0.000 30.909) 42.424 1.722 ( -7.185 0.000 10.677) 12.869 2.139 ( 17.090 0.000 2.128) 17.222 2.154 ( 1.042 0.000 0.287) 1.081 2.245 ( 0.206 0.000 3.505) 3.511 2.437 ( 1.441 0.000 -7.993) 8.122 2.580 ( -0.855 0.000 -4.511) 4.591 2.706 ( -7.171 0.000 -2.031) 7.453 2.715 ( 1.739 0.000 -6.363) 6.597 2.799 ( -8.830 0.000 0.531) 8.846 2.814 ( -2.695 0.000 0.281) 2.709 2.892 ( -7.517 0.000 -4.352) 8.686 3.010 ( -4.050 0.000 1.560) 4.340 3.050 ( 7.770 0.000 -3.633) 8.577 3.131 ( -4.662 0.000 1.386) 4.863 3.255 ( -3.244 0.000 -3.676) 4.903 3.327 ( -4.335 0.000 0.841) 4.416 3.374 ( 0.668 0.000 3.968) 4.023 3.525 ( -4.998 0.000 6.968) 8.575 3.526 ( 7.077 0.000 -4.144) 8.201 3.591 ( -20.823 0.000 13.549) 24.843 3.685 ( 6.744 0.000 1.804) 6.981 3.710 ( -0.870 0.000 3.099) 3.219 3.920 ( -3.151 0.000 1.114) 3.342 3.926 ( -7.194 0.000 -2.781) 7.713 4.130 ( 1.021 0.000 -0.139) 1.030 4.154 ( -2.146 0.000 -0.159) 2.152 4.179 ( 4.723 0.000 -2.024) 5.138 4.335 ( -0.285 0.000 -3.871) 3.881 4.500 ( -0.180 0.000 0.414) 0.452 4.626 ( -3.144 0.000 -2.794) 4.206 4.651 ( 0.667 0.000 -5.178) 5.220 4.704 ( -0.951 0.000 -2.134) 2.336 4.809 ( 10.470 0.000 3.097) 10.918 4.968 ( 16.672 0.000 2.663) 16.883 5.059 ( -3.159 0.000 -3.138) 4.453 5.184 ( 6.419 0.000 -2.892) 7.040 5.304 ( 0.307 0.000 3.256) 3.270 5.334 ( 0.956 0.000 -1.329) 1.637 5.446 ( -5.157 0.000 1.881) 5.490 5.576 ( -4.969 0.000 -2.763) 5.686 5.671 ( 0.787 0.000 -2.730) 2.841 5.738 ( 0.359 0.000 -3.757) 3.775 5.880 ( 4.489 0.000 -2.887) 5.337 5.949 ( -0.226 0.000 8.377) 8.380 6.210 ( 10.219 0.000 3.452) 10.786 6.535 ( -3.724 0.000 3.828) 5.341 6.982 ( 14.657 0.000 2.791) 14.920 6.995 ( 0.044 0.000 -2.033) 2.033 7.094 ( -4.438 0.000 -1.387) 4.649 7.334 ( 3.380 0.000 -4.349) 5.508 7.415 ( -0.608 0.000 -4.881) 4.919 7.524 ( -10.126 0.000 7.836) 12.804 7.567 ( -5.481 0.000 -1.281) 5.628 7.804 ( 2.483 0.000 -3.828) 4.563 7.878 ( -12.755 0.000 -9.040) 15.633 7.960 ( -4.777 0.000 3.411) 5.870 8.058 ( 3.785 0.000 1.359) 4.022 8.205 ( -0.361 0.000 -9.414) 9.421 8.583 ( 6.703 0.000 6.496) 9.335 8.706 ( 4.359 0.000 2.567) 5.059 8.844 ( 11.355 0.000 4.777) 12.319 8.913 ( 6.093 0.000 -0.314) 6.101 9.045 ( 1.053 0.000 0.306) 1.097 9.099 ( -4.416 0.000 -6.805) 8.112 9.210 ( -2.308 0.000 -2.760) 3.597 9.269 ( -14.384 0.000 5.639) 15.450 9.842 ( -6.228 0.000 -1.813) 6.487 9.918 ( -5.257 0.000 0.863) 5.328 10.125 ( -11.392 0.000 -0.966) 11.433 10.147 ( -15.218 0.000 5.103) 16.051 10.403 ( 13.329 0.000 -0.994) 13.366 10.569 ( 14.420 0.000 -5.867) 15.568 10.657 ( 14.947 0.000 -2.553) 15.164 10.700 ( 4.550 0.000 3.722) 5.879 11.113 ( -11.204 0.000 -6.222) 12.816 11.148 ( 1.449 0.000 0.214) 1.465 11.247 ( -2.493 0.000 0.209) 2.501 11.331 ( -9.950 0.000 -15.862) 18.724 11.587 ( 0.835 0.000 -3.041) 3.154 11.660 ( -2.619 0.000 -4.425) 5.142 12.382 ( 1.280 0.000 13.496) 13.556 12.450 ( 0.495 0.000 12.949) 12.958 12.732 ( 1.751 0.000 -0.199) 1.762 12.859 ( -2.057 0.000 -0.783) 2.201 13.033 ( 20.603 0.000 -15.335) 25.683 13.319 ( 0.576 0.000 -1.142) 1.279 13.354 ( 2.743 0.000 1.040) 2.933 13.592 ( -7.213 0.000 4.223) 8.358 13.784 ( 6.262 0.000 1.345) 6.405 14.052 ( -4.334 0.000 -1.459) 4.573 14.269 ( 9.689 0.000 4.597) 10.724 14.658 ( -5.735 0.000 8.010) 9.852 14.865 ( 0.620 0.000 -9.259) 9.280 15.110 ( -9.030 0.000 -20.230) 22.154 15.493 ( 7.442 0.000 -6.609) 9.953 15.717 ( -3.736 0.000 1.123) 3.901 16.494 ( 6.741 0.000 8.629) 10.950 16.565 ( 6.018 0.000 -6.736) 9.033 16.862 ( -1.126 0.000 4.232) 4.380 17.097 ( -9.941 0.000 3.542) 10.553 17.377 ( 5.185 0.000 -2.701) 5.846 17.510 ( -5.416 0.000 2.245) 5.863 17.793 ( 0.675 0.000 5.261) 5.304 17.850 ( -3.061 0.000 9.217) 9.712 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -17.563 0.000 12.017) 21.280 1.018 ( 17.563 0.000 12.017) 21.280 1.260 ( -25.174 0.000 6.480) 25.994 1.260 ( 25.174 0.000 6.480) 25.994 2.154 ( -5.126 0.000 3.037) 5.959 2.154 ( 5.126 0.000 3.037) 5.959 2.411 ( -23.771 0.000 13.779) 27.476 2.411 ( 23.771 0.000 13.779) 27.476 2.421 ( -7.420 0.000 -5.416) 9.186 2.421 ( 7.420 0.000 -5.416) 9.186 2.629 ( -2.770 0.000 1.669) 3.234 2.629 ( 2.770 0.000 1.669) 3.234 2.700 ( -3.205 0.000 -2.874) 4.305 2.700 ( 3.205 0.000 -2.874) 4.305 2.881 ( -6.843 0.000 -0.312) 6.850 2.881 ( 6.843 0.000 -0.312) 6.850 3.099 ( -5.490 0.000 3.998) 6.792 3.099 ( 5.490 0.000 3.998) 6.792 3.179 ( -4.839 0.000 -4.176) 6.392 3.179 ( 4.839 0.000 -4.176) 6.392 3.421 ( -4.232 0.000 6.367) 7.646 3.421 ( 4.232 0.000 6.367) 7.646 3.574 ( -4.696 0.000 -0.201) 4.700 3.574 ( 4.696 0.000 -0.201) 4.700 3.766 ( -8.122 0.000 -1.416) 8.244 3.766 ( 8.122 0.000 -1.416) 8.244 3.822 ( -6.157 0.000 1.272) 6.287 3.822 ( 6.157 0.000 1.272) 6.287 4.130 ( -0.499 0.000 0.574) 0.761 4.130 ( 0.499 0.000 0.574) 0.761 4.286 ( -4.587 0.000 -2.990) 5.475 4.286 ( 4.587 0.000 -2.990) 5.475 4.541 ( -3.975 0.000 -0.573) 4.016 4.541 ( 3.975 0.000 -0.573) 4.016 4.674 ( -1.602 0.000 -3.961) 4.273 4.674 ( 1.602 0.000 -3.961) 4.273 4.965 ( -5.801 0.000 -0.963) 5.881 4.965 ( 5.801 0.000 -0.963) 5.881 5.217 ( -6.300 0.000 -1.439) 6.463 5.217 ( 6.300 0.000 -1.439) 6.463 5.369 ( -2.628 0.000 0.530) 2.681 5.369 ( 2.628 0.000 0.530) 2.681 5.424 ( -10.391 0.000 0.527) 10.404 5.424 ( 10.391 0.000 0.527) 10.404 5.698 ( -2.404 0.000 -2.940) 3.797 5.698 ( 2.404 0.000 -2.940) 3.797 5.939 ( -1.361 0.000 2.686) 3.011 5.939 ( 1.361 0.000 2.686) 3.011 6.419 ( -8.594 0.000 1.881) 8.797 6.419 ( 8.594 0.000 1.881) 8.797 7.018 ( -2.525 0.000 -1.506) 2.940 7.018 ( 2.525 0.000 -1.506) 2.940 7.287 ( -13.127 0.000 6.768) 14.769 7.287 ( 13.127 0.000 6.768) 14.769 7.390 ( -1.961 0.000 -4.695) 5.088 7.390 ( 1.961 0.000 -4.695) 5.088 7.597 ( -10.511 0.000 -4.720) 11.522 7.597 ( 10.511 0.000 -4.720) 11.522 7.873 ( -3.973 0.000 -0.157) 3.976 7.873 ( 3.973 0.000 -0.157) 3.976 8.148 ( -4.408 0.000 -3.922) 5.900 8.148 ( 4.408 0.000 -3.922) 5.900 8.723 ( -4.780 0.000 5.598) 7.361 8.723 ( 4.780 0.000 5.598) 7.361 8.998 ( -3.470 0.000 -3.172) 4.702 8.998 ( 3.470 0.000 -3.172) 4.702 9.043 ( -9.233 0.000 2.818) 9.654 9.043 ( 9.233 0.000 2.818) 9.654 9.128 ( -4.805 0.000 -1.781) 5.124 9.128 ( 4.805 0.000 -1.781) 5.124 9.896 ( -9.433 0.000 -0.518) 9.447 9.896 ( 9.433 0.000 -0.518) 9.447 9.918 ( -5.930 0.000 2.613) 6.480 9.918 ( 5.930 0.000 2.613) 6.480 10.648 ( -8.955 0.000 -0.648) 8.978 10.648 ( 8.955 0.000 -0.648) 8.978 10.836 ( -11.675 0.000 -4.767) 12.610 10.836 ( 11.675 0.000 -4.767) 12.610 11.040 ( -16.387 0.000 -10.255) 19.331 11.040 ( 16.387 0.000 -10.255) 19.331 11.190 ( -2.736 0.000 0.185) 2.743 11.190 ( 2.736 0.000 0.185) 2.743 11.613 ( -1.756 0.000 -2.930) 3.416 11.613 ( 1.756 0.000 -2.930) 3.416 12.424 ( -2.350 0.000 12.701) 12.917 12.424 ( 2.350 0.000 12.701) 12.917 12.794 ( -3.810 0.000 0.360) 3.827 12.794 ( 3.810 0.000 0.360) 3.827 13.270 ( -5.568 0.000 -7.554) 9.384 13.270 ( 5.568 0.000 -7.554) 9.384 13.455 ( -6.052 0.000 3.151) 6.823 13.455 ( 6.052 0.000 3.151) 6.823 13.930 ( -7.266 0.000 -0.543) 7.287 13.930 ( 7.266 0.000 -0.543) 7.287 14.481 ( -10.493 0.000 8.513) 13.512 14.481 ( 10.493 0.000 8.513) 13.512 14.947 ( -6.612 0.000 -16.954) 18.198 14.947 ( 6.612 0.000 -16.954) 18.198 15.624 ( -5.472 0.000 -3.043) 6.261 15.624 ( 5.472 0.000 -3.043) 6.261 16.611 ( -2.473 0.000 -1.167) 2.734 16.611 ( 2.473 0.000 -1.167) 2.734 16.895 ( -6.477 0.000 8.880) 10.991 16.895 ( 6.477 0.000 8.880) 10.991 17.460 ( -2.558 0.000 -4.020) 4.765 17.460 ( 2.558 0.000 -4.020) 4.765 17.805 ( -1.244 0.000 8.854) 8.941 17.805 ( 1.244 0.000 8.854) 8.941 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 0.000 11.667 25.563) 28.099 0.912 ( 0.000 18.454 24.557) 30.718 1.449 ( 0.000 42.189 26.939) 50.056 1.865 ( 0.000 2.631 8.170) 8.583 1.956 ( 0.000 17.298 5.289) 18.089 2.005 ( 0.000 13.518 4.229) 14.164 2.141 ( 0.000 -0.286 1.749) 1.772 2.252 ( 0.000 1.834 1.886) 2.631 2.471 ( 0.000 5.145 -6.064) 7.953 2.590 ( 0.000 -2.459 -1.711) 2.995 2.613 ( 0.000 -0.158 -6.752) 6.754 2.815 ( 0.000 -6.187 1.906) 6.474 2.832 ( 0.000 -3.247 -0.064) 3.248 2.881 ( 0.000 -1.686 1.275) 2.114 2.983 ( 0.000 -2.028 -5.042) 5.435 3.005 ( 0.000 6.254 -3.648) 7.240 3.100 ( 0.000 2.028 -8.055) 8.306 3.103 ( 0.000 -1.237 0.706) 1.424 3.294 ( 0.000 1.961 -4.187) 4.623 3.341 ( 0.000 -2.140 -3.365) 3.987 3.398 ( 0.000 2.237 -2.745) 3.541 3.602 ( 0.000 13.339 -0.215) 13.340 3.729 ( 0.000 0.834 2.636) 2.765 3.763 ( 0.000 10.879 3.052) 11.299 3.794 ( 0.000 12.633 4.692) 13.476 3.861 ( 0.000 -4.087 3.290) 5.247 3.975 ( 0.000 -0.136 0.527) 0.544 4.094 ( 0.000 4.412 1.756) 4.749 4.134 ( 0.000 -2.121 1.154) 2.414 4.146 ( 0.000 -0.771 6.942) 6.985 4.200 ( 0.000 9.218 -1.397) 9.323 4.449 ( 0.000 -3.768 1.106) 3.928 4.478 ( 0.000 4.717 3.611) 5.941 4.569 ( 0.000 14.512 -3.666) 14.968 4.613 ( 0.000 4.113 -0.043) 4.114 4.695 ( 0.000 0.914 -0.335) 0.974 4.728 ( 0.000 -1.836 1.007) 2.094 4.867 ( 0.000 8.768 -1.272) 8.860 5.132 ( 0.000 3.728 -5.218) 6.413 5.150 ( 0.000 5.059 -2.693) 5.731 5.305 ( 0.000 0.677 2.298) 2.395 5.389 ( 0.000 4.698 2.537) 5.339 5.548 ( 0.000 -0.123 4.974) 4.975 5.564 ( 0.000 -5.080 -5.687) 7.626 5.698 ( 0.000 4.722 0.823) 4.793 5.722 ( 0.000 4.987 0.939) 5.074 5.912 ( 0.000 8.245 -7.218) 10.958 6.137 ( 0.000 3.906 0.940) 4.018 6.263 ( 0.000 31.582 9.756) 33.054 6.799 ( 0.000 0.390 -4.120) 4.139 7.028 ( 0.000 25.025 -12.234) 27.856 7.045 ( 0.000 3.113 -2.728) 4.139 7.146 ( 0.000 0.116 -1.365) 1.369 7.290 ( 0.000 2.969 -4.187) 5.133 7.398 ( 0.000 -2.058 -5.158) 5.553 7.563 ( 0.000 -5.484 -2.440) 6.002 7.673 ( 0.000 1.757 13.295) 13.411 7.730 ( 0.000 -3.015 -4.454) 5.379 8.044 ( 0.000 -2.314 3.868) 4.508 8.151 ( 0.000 11.175 0.146) 11.176 8.151 ( 0.000 10.065 -14.011) 17.251 8.184 ( 0.000 5.125 -0.154) 5.128 8.497 ( 0.000 -0.568 3.731) 3.774 8.666 ( 0.000 1.652 6.438) 6.646 8.843 ( 0.000 10.940 6.031) 12.492 8.925 ( 0.000 9.064 -5.654) 10.683 9.183 ( 0.000 3.868 -7.174) 8.150 9.224 ( 0.000 14.722 -1.328) 14.782 9.348 ( 0.000 10.681 0.465) 10.691 9.560 ( 0.000 7.479 -5.585) 9.334 9.971 ( 0.000 -7.353 -7.901) 10.793 10.000 ( 0.000 -8.618 13.026) 15.619 10.249 ( 0.000 6.510 5.364) 8.435 10.272 ( 0.000 3.216 10.834) 11.301 10.299 ( 0.000 -0.802 0.889) 1.197 10.341 ( 0.000 -0.955 -0.987) 1.374 10.593 ( 0.000 7.984 4.486) 9.158 10.603 ( 0.000 11.376 -0.375) 11.382 11.019 ( 0.000 -3.562 -3.979) 5.341 11.324 ( 0.000 5.660 -6.739) 8.801 11.385 ( 0.000 11.104 -3.357) 11.601 11.556 ( 0.000 10.646 -10.541) 14.981 11.605 ( 0.000 2.663 -2.886) 3.926 11.707 ( 0.000 1.497 -6.488) 6.658 12.389 ( 0.000 -2.024 7.756) 8.016 12.429 ( 0.000 7.015 1.951) 7.282 12.444 ( 0.000 -0.427 17.375) 17.381 12.853 ( 0.000 -2.688 -0.884) 2.829 13.146 ( 0.000 8.805 -11.659) 14.610 13.244 ( 0.000 -4.698 0.471) 4.721 13.328 ( 0.000 -1.578 -0.749) 1.747 13.661 ( 0.000 -5.124 1.632) 5.377 13.715 ( 0.000 2.832 2.692) 3.907 14.121 ( 0.000 2.409 0.490) 2.458 14.189 ( 0.000 4.027 -0.927) 4.132 14.701 ( 0.000 -0.568 7.083) 7.106 14.879 ( 0.000 -1.614 -5.977) 6.191 15.261 ( 0.000 -0.263 -26.406) 26.408 15.317 ( 0.000 -4.400 -0.726) 4.459 15.969 ( 0.000 14.421 -14.742) 20.623 16.357 ( 0.000 -5.843 -0.829) 5.901 16.424 ( 0.000 -2.609 7.371) 7.819 16.855 ( 0.000 -2.420 4.155) 4.808 17.141 ( 0.000 -6.683 -1.436) 6.836 17.221 ( 0.000 -6.974 -1.596) 7.154 17.525 ( 0.000 -11.529 6.382) 13.178 17.723 ( 0.000 -2.837 5.643) 6.316 17.817 ( 0.000 -5.944 8.376) 10.271 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 17.185 12.379 13.755) 25.254 1.146 ( 12.909 26.324 13.403) 32.237 1.668 ( -8.022 17.332 8.752) 21.009 1.701 ( -3.391 18.510 13.102) 22.930 1.797 ( 9.959 14.386 18.114) 25.184 2.144 ( 0.571 -0.711 0.454) 1.018 2.190 ( 4.869 0.451 3.956) 6.289 2.330 ( 9.090 8.491 1.489) 12.528 2.489 ( 1.696 5.042 -6.885) 8.701 2.548 ( -0.747 -1.540 -4.184) 4.520 2.697 ( 2.356 0.920 -4.446) 5.115 2.734 ( -6.329 -1.199 -2.008) 6.747 2.756 ( -2.582 -5.306 0.465) 5.919 2.881 ( -7.124 5.562 -1.573) 9.174 2.890 ( -4.358 2.159 -2.141) 5.314 2.930 ( -0.465 -2.563 1.995) 3.281 3.031 ( -5.068 -3.275 0.376) 6.046 3.212 ( 3.170 4.160 -4.524) 6.916 3.309 ( -0.364 2.079 -0.547) 2.181 3.351 ( -2.904 1.951 -3.613) 5.030 3.470 ( 7.320 -0.765 -2.185) 7.677 3.490 ( -13.118 2.930 8.357) 15.828 3.620 ( -6.981 5.747 3.123) 9.566 3.728 ( -4.304 14.346 6.992) 16.529 3.738 ( -2.053 4.832 4.203) 6.725 3.814 ( -4.345 -4.669 -0.731) 6.420 3.902 ( 6.796 13.597 1.597) 15.285 4.080 ( 0.488 -2.284 -0.899) 2.503 4.103 ( -2.017 -2.503 0.691) 3.288 4.195 ( -2.170 19.605 2.354) 19.865 4.241 ( 2.437 8.206 -1.904) 8.769 4.357 ( -0.899 -0.268 -2.981) 3.125 4.477 ( -1.906 -3.550 0.299) 4.040 4.525 ( -5.309 -1.395 -1.571) 5.710 4.666 ( 4.549 5.129 -2.824) 7.415 4.810 ( 7.507 2.403 0.290) 7.887 4.861 ( 0.862 5.769 -1.780) 6.098 4.993 ( 14.577 2.921 1.751) 14.970 5.090 ( -2.518 3.686 -2.812) 5.276 5.209 ( 3.814 3.194 -3.195) 5.912 5.299 ( 0.487 0.753 1.459) 1.713 5.369 ( -1.094 1.385 1.840) 2.549 5.465 ( -2.765 1.492 2.531) 4.035 5.605 ( -2.676 3.302 -2.331) 4.847 5.703 ( 2.038 3.015 0.519) 3.677 5.746 ( 0.987 3.976 -0.760) 4.166 5.935 ( 1.941 4.918 -4.082) 6.679 6.063 ( -4.029 6.571 2.509) 8.106 6.442 ( 13.228 26.902 4.654) 30.337 6.833 ( -0.541 11.561 -9.554) 15.008 6.982 ( -0.588 8.013 -2.972) 8.566 7.078 ( -1.281 6.433 -1.510) 6.731 7.132 ( 4.261 6.198 1.273) 7.629 7.315 ( 2.416 -1.049 -3.790) 4.615 7.390 ( -0.771 -2.398 -4.760) 5.386 7.508 ( -5.351 -2.294 -0.007) 5.822 7.576 ( -6.493 2.359 9.197) 11.502 7.767 ( 2.125 -2.427 -2.174) 3.890 7.912 ( -11.185 2.324 -1.774) 11.561 8.005 ( -7.121 4.638 -0.787) 8.534 8.150 ( -0.573 7.917 0.017) 7.937 8.220 ( -0.629 2.855 -8.155) 8.663 8.636 ( 10.961 3.373 6.235) 13.054 8.775 ( 7.530 1.832 4.574) 8.999 8.813 ( 2.591 5.691 0.671) 6.289 9.007 ( -0.388 2.838 5.446) 6.153 9.154 ( -0.393 2.679 -9.525) 9.903 9.212 ( -0.757 15.864 -0.540) 15.891 9.327 ( -2.236 11.603 0.216) 11.818 9.402 ( -7.349 15.632 0.055) 17.273 9.847 ( -1.234 1.079 -1.930) 2.532 9.963 ( -6.447 6.362 3.796) 9.821 10.139 ( -9.984 2.327 -2.619) 10.581 10.228 ( -3.395 4.773 4.947) 7.667 10.464 ( 8.947 5.971 -2.446) 11.031 10.594 ( 10.870 0.730 -4.981) 11.979 10.679 ( 9.219 5.643 4.816) 11.834 10.724 ( 13.855 2.382 1.839) 14.178 10.989 ( -3.315 -4.431 -5.929) 8.110 11.256 ( -6.051 4.493 -7.706) 10.779 11.359 ( -2.311 11.617 -2.035) 12.018 11.444 ( -8.884 9.529 -5.812) 14.265 11.621 ( 0.823 3.878 -3.508) 5.294 11.681 ( -2.122 2.243 -5.241) 6.083 12.377 ( 0.679 -0.984 8.401) 8.486 12.443 ( -0.663 -0.911 13.482) 13.529 12.565 ( 8.272 -3.899 2.260) 9.420 12.812 ( -3.733 -4.296 0.492) 5.713 13.206 ( 4.892 4.372 -10.220) 12.144 13.295 ( 4.636 -4.149 0.794) 6.272 13.326 ( -0.414 -1.515 -1.941) 2.497 13.582 ( -7.949 -0.980 1.929) 8.239 13.753 ( 5.654 -1.413 0.878) 5.894 14.053 ( -5.814 0.338 -0.972) 5.904 14.287 ( 7.839 2.113 5.571) 9.846 14.637 ( -6.329 -1.797 8.185) 10.501 14.885 ( 1.710 0.675 -9.409) 9.587 15.106 ( -8.137 -0.785 -17.119) 18.970 15.480 ( 8.977 -1.178 -7.982) 12.070 15.827 ( -8.980 9.075 -7.084) 14.600 16.478 ( 5.886 -1.765 5.356) 8.151 16.485 ( 5.836 -7.747 -5.660) 11.229 16.826 ( -1.654 -3.515 6.157) 7.280 17.054 ( -8.539 -3.861 3.749) 10.093 17.299 ( 5.503 -7.868 -2.564) 9.938 17.445 ( -2.900 -5.790 2.582) 6.972 17.744 ( 0.573 -4.536 7.013) 8.372 17.794 ( -1.893 -4.992 8.678) 10.189 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -21.402 8.405 6.003) 23.764 1.331 ( 21.402 8.405 6.003) 23.764 1.408 ( -11.998 27.559 8.066) 31.121 1.408 ( 11.998 27.559 8.066) 31.121 2.141 ( -3.099 -0.264 1.842) 3.615 2.141 ( 3.099 -0.264 1.842) 3.615 2.417 ( -17.977 3.681 9.434) 20.633 2.417 ( 17.977 3.681 9.434) 20.633 2.497 ( -3.606 1.633 -3.524) 5.299 2.497 ( 3.606 1.633 -3.524) 5.299 2.667 ( -3.223 5.133 -0.533) 6.084 2.667 ( 3.223 5.133 -0.533) 6.084 2.745 ( -0.656 5.027 -0.509) 5.095 2.745 ( 0.656 5.027 -0.509) 5.095 2.857 ( -7.065 -0.520 0.743) 7.123 2.857 ( 7.065 -0.520 0.743) 7.123 3.032 ( -8.516 -4.501 6.728) 11.750 3.032 ( 8.516 -4.501 6.728) 11.750 3.296 ( -2.621 4.939 -4.871) 7.416 3.296 ( 2.621 4.939 -4.871) 7.416 3.520 ( -6.327 0.359 0.223) 6.341 3.520 ( 6.327 0.359 0.223) 6.341 3.628 ( -5.959 12.323 2.584) 13.930 3.628 ( 5.959 12.323 2.584) 13.930 3.734 ( -3.565 -1.747 0.806) 4.051 3.734 ( 3.565 -1.747 0.806) 4.051 4.028 ( -4.561 10.730 0.487) 11.670 4.028 ( 4.561 10.730 0.487) 11.670 4.115 ( -2.884 4.517 1.728) 5.630 4.115 ( 2.884 4.517 1.728) 5.630 4.328 ( -3.982 5.573 -3.071) 7.507 4.328 ( 3.982 5.573 -3.071) 7.507 4.455 ( -0.607 -4.488 -0.623) 4.571 4.455 ( 0.607 -4.488 -0.623) 4.571 4.766 ( -5.059 6.902 -2.823) 9.011 4.766 ( 5.059 6.902 -2.823) 9.011 4.986 ( -6.078 1.897 -1.541) 6.551 4.986 ( 6.078 1.897 -1.541) 6.551 5.213 ( -4.600 0.462 -0.283) 4.632 5.213 ( 4.600 0.462 -0.283) 4.632 5.351 ( -1.658 -1.573 0.151) 2.290 5.351 ( 1.658 -1.573 0.151) 2.290 5.491 ( -6.306 6.030 2.029) 8.958 5.491 ( 6.306 6.030 2.029) 8.958 5.742 ( -1.254 5.342 -1.912) 5.810 5.742 ( 1.254 5.342 -1.912) 5.810 5.989 ( -3.305 3.301 0.217) 4.676 5.989 ( 3.305 3.301 0.217) 4.676 6.709 ( -11.027 26.133 -3.187) 28.542 6.709 ( 11.027 26.133 -3.187) 28.542 7.010 ( -2.825 0.521 -1.520) 3.250 7.010 ( 2.825 0.521 -1.520) 3.250 7.320 ( -8.745 1.816 5.290) 10.381 7.320 ( 8.745 1.816 5.290) 10.381 7.372 ( -3.223 -0.745 -2.869) 4.379 7.372 ( 3.223 -0.745 -2.869) 4.379 7.612 ( -10.753 1.916 -2.911) 11.303 7.612 ( 10.753 1.916 -2.911) 11.303 7.879 ( -5.021 0.923 1.112) 5.225 7.879 ( 5.021 0.923 1.112) 5.225 8.177 ( -2.669 3.349 -3.861) 5.765 8.177 ( 2.669 3.349 -3.861) 5.765 8.819 ( -4.346 8.045 4.689) 10.276 8.819 ( 4.346 8.045 4.689) 10.276 8.925 ( -5.960 -2.862 3.207) 7.348 8.925 ( 5.960 -2.862 3.207) 7.348 9.188 ( -2.199 7.957 -3.965) 9.158 9.188 ( 2.199 7.957 -3.965) 9.158 9.296 ( -1.648 16.753 -1.032) 16.866 9.296 ( 1.648 16.753 -1.032) 16.866 9.909 ( -6.647 5.268 -0.190) 8.483 9.909 ( 6.647 5.268 -0.190) 8.483 10.045 ( -9.258 10.057 2.630) 13.920 10.045 ( 9.258 10.057 2.630) 13.920 10.661 ( -6.094 1.109 -3.681) 7.205 10.661 ( 6.094 1.109 -3.681) 7.205 10.850 ( -6.226 1.793 -1.605) 6.675 10.850 ( 6.226 1.793 -1.605) 6.675 11.054 ( -13.551 2.324 -9.059) 16.465 11.054 ( 13.551 2.324 -9.059) 16.465 11.325 ( -0.914 11.391 -0.095) 11.428 11.325 ( 0.914 11.391 -0.095) 11.428 11.642 ( -1.439 3.183 -3.615) 5.027 11.642 ( 1.439 3.183 -3.615) 5.027 12.411 ( -2.157 -1.373 9.676) 10.008 12.411 ( 2.157 -1.373 9.676) 10.008 12.709 ( -6.161 -6.374 2.305) 9.160 12.709 ( 6.161 -6.374 2.305) 9.160 13.295 ( -3.038 0.045 -5.985) 6.713 13.295 ( 3.038 0.045 -5.985) 6.713 13.418 ( -7.358 -2.613 1.990) 8.058 13.418 ( 7.358 -2.613 1.990) 8.058 13.904 ( -8.231 -1.818 -0.574) 8.449 13.904 ( 8.231 -1.818 -0.574) 8.449 14.469 ( -9.392 -0.731 8.695) 12.820 14.469 ( 9.392 -0.731 8.695) 12.820 14.963 ( -5.746 0.756 -14.439) 15.559 14.963 ( 5.746 0.756 -14.439) 15.559 15.655 ( -8.318 2.969 -5.845) 10.590 15.655 ( 8.318 2.969 -5.845) 10.590 16.554 ( -0.575 -6.083 -2.869) 6.750 16.554 ( 0.575 -6.083 -2.869) 6.750 16.866 ( -7.012 -2.350 10.114) 12.529 16.866 ( 7.012 -2.350 10.114) 12.529 17.399 ( -3.473 -5.975 -3.918) 7.945 17.399 ( 3.473 -5.975 -3.918) 7.945 17.757 ( -1.304 -4.611 9.212) 10.384 17.757 ( 1.304 -4.611 9.212) 10.384 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 0.000 17.519 16.576) 24.118 1.254 ( 0.000 18.197 20.016) 27.051 1.894 ( 0.000 2.611 6.565) 7.065 2.126 ( 0.000 0.342 2.367) 2.391 2.140 ( 0.000 0.106 2.210) 2.212 2.212 ( 0.000 8.046 1.422) 8.171 2.346 ( 0.000 5.026 -0.373) 5.039 2.363 ( 0.000 41.193 10.120) 42.418 2.483 ( 0.000 -3.422 0.715) 3.496 2.605 ( 0.000 -2.863 -0.343) 2.883 2.663 ( 0.000 -7.129 -0.115) 7.130 2.713 ( 0.000 11.571 -1.654) 11.688 2.798 ( 0.000 1.119 0.978) 1.487 2.949 ( 0.000 4.603 -4.776) 6.633 2.977 ( 0.000 8.234 -3.909) 9.115 3.000 ( 0.000 -1.537 0.699) 1.689 3.040 ( 0.000 -7.760 -2.049) 8.026 3.207 ( 0.000 7.148 -2.129) 7.459 3.347 ( 0.000 0.214 -1.272) 1.290 3.354 ( 0.000 4.123 -4.765) 6.301 3.402 ( 0.000 -0.082 -0.280) 0.292 3.473 ( 0.000 -15.902 0.463) 15.909 3.697 ( 0.000 0.483 1.454) 1.532 3.815 ( 0.000 -3.729 -0.479) 3.759 3.942 ( 0.000 -2.685 2.468) 3.647 3.946 ( 0.000 -3.323 1.299) 3.568 4.036 ( 0.000 -4.415 -1.775) 4.758 4.119 ( 0.000 10.689 5.650) 12.090 4.194 ( 0.000 4.582 5.472) 7.138 4.196 ( 0.000 10.708 -0.772) 10.736 4.398 ( 0.000 -4.979 1.511) 5.203 4.543 ( 0.000 13.699 2.817) 13.986 4.586 ( 0.000 24.165 1.479) 24.211 4.618 ( 0.000 -4.820 1.722) 5.119 4.689 ( 0.000 0.125 -3.244) 3.247 4.889 ( 0.000 10.019 -4.407) 10.945 4.898 ( 0.000 10.914 0.678) 10.935 5.024 ( 0.000 8.689 0.424) 8.699 5.240 ( 0.000 5.911 -3.341) 6.790 5.323 ( 0.000 6.656 1.652) 6.858 5.342 ( 0.000 6.066 -4.103) 7.323 5.488 ( 0.000 -1.122 -2.816) 3.031 5.504 ( 0.000 -1.664 6.315) 6.531 5.582 ( 0.000 16.461 6.034) 17.532 5.832 ( 0.000 9.805 1.218) 9.880 5.909 ( 0.000 12.026 0.883) 12.058 6.025 ( 0.000 3.092 -2.258) 3.829 6.224 ( 0.000 6.064 -1.373) 6.217 6.832 ( 0.000 2.932 -12.910) 13.239 7.045 ( 0.000 -2.271 -5.105) 5.587 7.053 ( 0.000 39.934 -1.573) 39.965 7.178 ( 0.000 -1.319 -4.550) 4.737 7.214 ( 0.000 5.311 0.013) 5.311 7.335 ( 0.000 -1.436 -4.696) 4.911 7.467 ( 0.000 -4.111 -0.521) 4.144 7.566 ( 0.000 12.461 -9.594) 15.727 7.695 ( 0.000 1.299 0.173) 1.311 7.748 ( 0.000 6.258 18.791) 19.805 8.060 ( 0.000 6.732 0.446) 6.747 8.285 ( 0.000 6.476 -0.699) 6.514 8.359 ( 0.000 11.562 -9.515) 14.973 8.428 ( 0.000 14.402 2.645) 14.643 8.494 ( 0.000 0.546 2.988) 3.037 8.701 ( 0.000 2.349 3.552) 4.258 9.032 ( 0.000 7.675 8.384) 11.367 9.052 ( 0.000 2.908 -10.679) 11.068 9.150 ( 0.000 -4.699 -3.624) 5.934 9.532 ( 0.000 7.767 4.885) 9.176 9.604 ( 0.000 16.574 -2.286) 16.731 9.843 ( 0.000 -3.126 -5.779) 6.570 9.909 ( 0.000 26.006 -2.690) 26.145 9.910 ( 0.000 3.257 22.454) 22.689 10.279 ( 0.000 0.505 0.880) 1.014 10.303 ( 0.000 -3.507 -4.646) 5.821 10.451 ( 0.000 13.767 2.894) 14.068 10.609 ( 0.000 26.128 4.041) 26.439 10.760 ( 0.000 8.883 8.014) 11.964 10.888 ( 0.000 17.659 -2.577) 17.846 11.035 ( 0.000 5.068 -8.647) 10.023 11.504 ( 0.000 12.902 -5.104) 13.875 11.605 ( 0.000 9.533 -4.489) 10.537 11.680 ( 0.000 5.142 -2.620) 5.771 11.754 ( 0.000 3.317 -8.558) 9.178 11.820 ( 0.000 15.990 -4.706) 16.668 12.344 ( 0.000 -2.292 5.664) 6.111 12.482 ( 0.000 4.226 7.835) 8.902 12.589 ( 0.000 6.634 1.892) 6.898 12.748 ( 0.000 -8.923 2.432) 9.249 13.122 ( 0.000 -7.269 -7.114) 10.170 13.143 ( 0.000 -4.515 -1.608) 4.792 13.233 ( 0.000 -8.567 0.054) 8.567 13.523 ( 0.000 -8.964 0.205) 8.967 13.811 ( 0.000 7.517 1.887) 7.751 14.190 ( 0.000 4.744 4.691) 6.672 14.283 ( 0.000 5.187 -2.971) 5.978 14.710 ( 0.000 2.980 7.049) 7.653 14.814 ( 0.000 -5.742 -5.595) 8.017 15.196 ( 0.000 -7.476 -0.213) 7.480 15.266 ( 0.000 1.343 -21.424) 21.466 16.144 ( 0.000 -15.114 -3.383) 15.488 16.212 ( 0.000 10.404 -21.077) 23.505 16.390 ( 0.000 -1.987 3.675) 4.177 16.794 ( 0.000 -3.168 10.017) 10.506 16.935 ( 0.000 -14.258 -2.975) 14.565 17.047 ( 0.000 -10.052 -3.916) 10.788 17.348 ( 0.000 -6.090 11.539) 13.047 17.642 ( 0.000 -5.423 6.398) 8.387 17.677 ( 0.000 -8.803 7.970) 11.875 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 13.451 17.911 8.454) 23.942 1.486 ( 17.516 13.240 16.643) 27.552 1.818 ( -8.468 5.759 6.665) 12.218 2.055 ( -7.975 9.973 2.545) 13.021 2.133 ( -0.186 0.443 1.194) 1.287 2.164 ( -1.801 3.473 1.910) 4.353 2.376 ( 1.942 0.908 -0.911) 2.329 2.449 ( 5.860 22.933 7.874) 24.945 2.473 ( 0.748 1.760 -0.705) 2.038 2.606 ( -5.752 -5.125 -3.923) 8.645 2.658 ( 2.514 1.071 0.350) 2.755 2.716 ( 3.855 -2.108 0.702) 4.450 2.799 ( 3.247 8.536 1.454) 9.248 2.936 ( -2.685 6.187 -1.187) 6.848 2.950 ( -0.995 5.645 -2.404) 6.216 2.969 ( -2.228 2.967 0.571) 3.754 3.044 ( -1.316 3.291 -0.425) 3.570 3.213 ( -0.547 -0.068 -0.137) 0.568 3.297 ( -7.176 -4.311 -0.289) 8.376 3.395 ( 6.533 2.010 -2.928) 7.436 3.412 ( -5.016 -2.939 0.434) 5.830 3.512 ( 4.804 -0.700 0.370) 4.869 3.674 ( -1.065 0.350 -0.023) 1.121 3.714 ( -13.635 3.119 8.369) 16.300 3.812 ( -2.653 -0.906 3.584) 4.550 3.957 ( 1.863 -5.142 -2.088) 5.854 3.985 ( -2.054 1.649 -1.389) 2.978 4.044 ( 0.860 -3.731 -0.923) 3.939 4.124 ( -1.208 3.939 1.669) 4.445 4.379 ( -1.426 0.222 0.522) 1.534 4.414 ( -2.544 8.048 -2.401) 8.775 4.459 ( -3.685 4.052 0.175) 5.480 4.610 ( 7.282 15.075 3.574) 17.119 4.645 ( 4.577 18.535 1.558) 19.155 4.833 ( 4.914 4.339 -2.461) 7.003 4.886 ( 2.777 8.677 0.199) 9.113 4.943 ( 1.401 3.438 -2.725) 4.605 5.082 ( 4.111 6.006 -2.275) 7.626 5.208 ( -1.458 5.944 -0.544) 6.145 5.294 ( -2.006 3.620 2.345) 4.757 5.350 ( 0.088 3.928 -3.972) 5.586 5.367 ( -4.522 1.483 2.804) 5.524 5.589 ( 2.289 11.161 5.418) 12.616 5.692 ( 8.593 5.471 0.621) 10.206 5.787 ( -3.474 8.637 2.189) 9.563 5.941 ( 2.235 15.055 -0.452) 15.227 5.998 ( -2.091 -0.803 -1.237) 2.559 6.167 ( -4.969 6.970 -1.487) 8.688 6.881 ( 3.765 0.938 -11.079) 11.739 6.987 ( -2.707 2.534 -6.014) 7.066 7.156 ( 6.780 25.971 -1.655) 26.893 7.224 ( 3.402 -0.859 -4.102) 5.398 7.238 ( 2.544 5.187 -0.297) 5.785 7.327 ( -0.978 -2.677 -4.803) 5.585 7.459 ( -0.481 4.780 -0.187) 4.808 7.539 ( -1.504 12.703 -5.731) 14.017 7.647 ( -4.258 4.193 7.852) 9.867 7.752 ( 2.989 3.976 4.082) 6.435 8.027 ( -7.777 12.243 2.205) 14.671 8.123 ( -8.595 7.641 -3.683) 12.075 8.302 ( -4.500 8.429 -2.703) 9.930 8.356 ( -5.691 9.569 1.084) 11.186 8.696 ( 14.960 3.707 6.091) 16.572 8.782 ( 6.785 0.043 3.180) 7.494 8.972 ( -0.580 6.854 -2.037) 7.174 9.023 ( -5.224 -0.653 3.328) 6.228 9.188 ( 5.121 1.658 -2.872) 6.101 9.497 ( -7.973 10.518 0.921) 13.231 9.619 ( 2.941 16.654 -1.539) 16.982 9.812 ( -6.566 16.483 -1.053) 17.774 9.935 ( 11.437 14.728 1.201) 18.686 10.150 ( 0.494 3.211 1.793) 3.711 10.225 ( 0.902 14.198 3.556) 14.664 10.350 ( 7.300 8.721 1.881) 11.528 10.530 ( 12.784 -0.706 1.737) 12.921 10.643 ( 0.857 7.250 -3.136) 7.946 10.810 ( -1.930 8.521 -0.033) 8.737 10.926 ( 5.970 18.322 3.966) 19.674 11.021 ( 0.813 7.001 -8.396) 10.962 11.365 ( -11.194 6.915 -8.240) 15.525 11.587 ( -2.014 9.732 0.307) 9.943 11.633 ( -5.550 8.907 -2.345) 10.753 11.752 ( -0.442 7.315 -6.271) 9.645 11.780 ( -1.625 10.938 -2.865) 11.423 12.354 ( 0.700 -0.777 2.911) 3.093 12.446 ( -3.184 1.647 5.928) 6.928 12.589 ( 0.310 2.882 1.643) 3.332 12.692 ( -4.281 -7.822 3.573) 9.606 13.144 ( 2.227 -9.057 -3.676) 10.025 13.211 ( 2.090 -6.443 -1.988) 7.059 13.241 ( 3.958 -4.519 -0.867) 6.069 13.506 ( -2.859 -7.389 0.458) 7.936 13.800 ( 0.796 6.417 -0.316) 6.474 14.071 ( -8.735 1.560 -0.545) 8.890 14.364 ( 5.597 5.904 4.518) 9.305 14.623 ( -6.308 1.329 7.631) 9.989 14.863 ( 3.466 -2.711 -7.057) 8.316 15.065 ( -6.501 -3.580 -10.022) 12.471 15.468 ( 12.536 0.570 -10.500) 16.363 15.971 ( -11.321 2.500 -10.330) 15.528 16.300 ( 4.242 -8.376 -8.440) 12.625 16.410 ( 0.441 -6.178 -1.663) 6.413 16.751 ( -0.236 -3.092 10.446) 10.897 16.966 ( -4.498 -4.830 0.937) 6.666 17.089 ( 7.650 -12.843 -1.773) 15.053 17.320 ( -2.104 -6.305 4.540) 8.050 17.631 ( -0.701 -7.032 9.151) 11.562 17.665 ( -1.207 -8.034 8.096) 11.470 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -17.473 12.567 5.370) 22.183 1.535 ( 17.473 12.567 5.370) 22.183 1.827 ( -14.065 13.462 6.896) 20.654 1.827 ( 14.065 13.462 6.896) 20.654 2.142 ( -0.847 0.118 1.288) 1.546 2.142 ( 0.847 0.118 1.288) 1.546 2.432 ( -3.754 -4.523 -4.297) 7.281 2.432 ( 3.754 -4.523 -4.297) 7.281 2.523 ( -2.210 1.487 -1.262) 2.948 2.523 ( 2.210 1.487 -1.262) 2.948 2.800 ( -4.916 -1.603 2.298) 5.658 2.800 ( 4.916 -1.603 2.298) 5.658 2.879 ( -6.854 9.547 2.358) 11.987 2.879 ( 6.854 9.547 2.358) 11.987 2.947 ( -3.079 5.526 4.316) 7.658 2.947 ( 3.079 5.526 4.316) 7.658 3.008 ( -7.761 14.500 4.654) 17.092 3.008 ( 7.761 14.500 4.654) 17.092 3.284 ( -5.411 -3.896 -0.662) 6.700 3.284 ( 5.411 -3.896 -0.662) 6.700 3.518 ( -5.361 0.061 -1.670) 5.616 3.518 ( 5.361 0.061 -1.670) 5.616 3.648 ( -4.756 -3.427 1.432) 6.035 3.648 ( 4.756 -3.427 1.432) 6.035 3.854 ( -7.609 4.807 0.610) 9.021 3.854 ( 7.609 4.807 0.610) 9.021 4.011 ( -2.337 -3.492 -1.175) 4.363 4.011 ( 2.337 -3.492 -1.175) 4.363 4.229 ( -8.751 -5.800 -0.819) 10.530 4.229 ( 8.751 -5.800 -0.819) 10.530 4.420 ( -1.912 11.663 0.628) 11.836 4.420 ( 1.912 11.663 0.628) 11.836 4.696 ( -1.187 20.041 0.510) 20.083 4.696 ( 1.187 20.041 0.510) 20.083 4.903 ( -2.880 6.324 -2.711) 7.459 4.903 ( 2.880 6.324 -2.711) 7.459 5.026 ( -7.316 1.649 -1.603) 7.669 5.026 ( 7.316 1.649 -1.603) 7.669 5.267 ( -2.432 5.629 2.755) 6.722 5.267 ( 2.432 5.629 2.755) 6.722 5.321 ( -1.429 -1.000 -0.933) 1.978 5.321 ( 1.429 -1.000 -0.933) 1.978 5.669 ( -5.296 12.589 3.546) 14.110 5.669 ( 5.296 12.589 3.546) 14.110 5.877 ( -6.913 4.634 -0.453) 8.335 5.877 ( 6.913 4.634 -0.453) 8.335 6.052 ( -5.587 6.791 -0.995) 8.850 6.052 ( 5.587 6.791 -0.995) 8.850 6.941 ( -2.112 0.019 -7.884) 8.162 6.941 ( 2.112 0.019 -7.884) 8.162 7.264 ( -1.616 9.803 -2.017) 10.138 7.264 ( 1.616 9.803 -2.017) 10.138 7.286 ( -2.513 -3.818 -2.185) 5.067 7.286 ( 2.513 -3.818 -2.185) 5.067 7.490 ( -3.696 15.137 -2.595) 15.796 7.490 ( 3.696 15.137 -2.595) 15.796 7.692 ( -9.178 8.311 0.021) 12.381 7.692 ( 9.178 8.311 0.021) 12.381 7.963 ( -6.540 11.236 6.152) 14.383 7.963 ( 6.540 11.236 6.152) 14.383 8.272 ( -1.721 5.782 -2.496) 6.529 8.272 ( 1.721 5.782 -2.496) 6.529 8.878 ( -5.585 -1.626 1.672) 6.052 8.878 ( 5.585 -1.626 1.672) 6.052 8.988 ( -6.423 7.904 2.174) 10.414 8.988 ( 6.423 7.904 2.174) 10.414 9.301 ( -8.518 3.985 1.471) 9.519 9.301 ( 8.518 3.985 1.471) 9.519 9.683 ( -4.473 18.774 -0.151) 19.300 9.683 ( 4.473 18.774 -0.151) 19.300 10.114 ( -3.021 15.908 -2.092) 16.327 10.114 ( 3.021 15.908 -2.092) 16.327 10.319 ( -9.777 17.677 4.203) 20.633 10.319 ( 9.777 17.677 4.203) 20.633 10.688 ( -2.969 1.207 -6.661) 7.392 10.688 ( 2.969 1.207 -6.661) 7.392 10.899 ( -10.928 3.049 -0.139) 11.346 10.899 ( 10.928 3.049 -0.139) 11.346 11.143 ( -9.978 6.965 -5.471) 13.341 11.143 ( 9.978 6.965 -5.471) 13.341 11.546 ( -0.275 10.109 1.263) 10.191 11.546 ( 0.275 10.109 1.263) 10.191 11.757 ( -0.939 8.860 -3.456) 9.556 11.757 ( 0.939 8.860 -3.456) 9.556 12.381 ( -2.430 -0.893 1.826) 3.168 12.381 ( 2.430 -0.893 1.826) 3.168 12.617 ( -2.632 -3.048 3.821) 5.552 12.617 ( 2.632 -3.048 3.821) 5.552 13.191 ( -2.058 -9.736 -2.109) 10.173 13.191 ( 2.058 -9.736 -2.109) 10.173 13.389 ( -7.743 -2.129 -0.098) 8.031 13.389 ( 7.743 -2.129 -0.098) 8.031 13.892 ( -7.739 1.329 -1.710) 8.036 13.892 ( 7.739 1.329 -1.710) 8.036 14.490 ( -6.559 3.728 7.856) 10.892 14.490 ( 6.559 3.728 7.856) 10.892 14.949 ( -4.980 -2.324 -9.523) 10.995 14.949 ( 4.980 -2.324 -9.523) 10.995 15.726 ( -12.607 3.705 -9.381) 16.145 15.726 ( 12.607 3.705 -9.381) 16.145 16.377 ( -3.216 -11.311 -5.049) 12.798 16.377 ( 3.216 -11.311 -5.049) 12.798 16.829 ( -6.901 -1.293 8.838) 11.287 16.829 ( 6.901 -1.293 8.838) 11.287 17.244 ( -6.076 -9.366 -2.443) 11.428 17.244 ( 6.076 -9.366 -2.443) 11.428 17.635 ( -1.258 -7.699 10.054) 12.725 17.635 ( 1.258 -7.699 10.054) 12.725 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 0.000 19.126 9.334) 21.282 1.617 ( 0.000 18.477 12.130) 22.103 1.933 ( 0.000 1.324 5.185) 5.351 2.123 ( 0.000 -0.352 2.308) 2.335 2.138 ( 0.000 0.171 2.914) 2.919 2.301 ( 0.000 2.160 -1.155) 2.450 2.358 ( 0.000 -2.627 1.227) 2.900 2.483 ( 0.000 2.957 1.385) 3.265 2.511 ( 0.000 -4.084 1.787) 4.458 2.534 ( 0.000 -5.387 1.216) 5.523 2.730 ( 0.000 -7.541 1.724) 7.736 2.766 ( 0.000 -4.112 -0.009) 4.112 2.822 ( 0.000 0.999 1.799) 2.058 2.849 ( 0.000 -3.244 -2.101) 3.865 3.061 ( 0.000 -3.908 1.909) 4.349 3.169 ( 0.000 7.014 -6.799) 9.769 3.235 ( 0.000 0.544 -0.578) 0.794 3.256 ( 0.000 2.552 -1.216) 2.827 3.322 ( 0.000 5.607 -4.842) 7.408 3.351 ( 0.000 14.250 1.821) 14.366 3.461 ( 0.000 5.735 -0.715) 5.779 3.531 ( 0.000 15.081 2.767) 15.332 3.667 ( 0.000 -3.272 -2.747) 4.272 3.711 ( 0.000 -4.461 -2.903) 5.323 3.830 ( 0.000 -5.654 3.287) 6.541 3.850 ( 0.000 -5.546 2.921) 6.268 3.979 ( 0.000 0.782 -0.356) 0.859 4.264 ( 0.000 1.032 3.768) 3.906 4.290 ( 0.000 7.332 7.129) 10.226 4.367 ( 0.000 5.964 -4.364) 7.390 4.383 ( 0.000 4.649 1.681) 4.944 4.512 ( 0.000 -4.969 2.194) 5.432 4.673 ( 0.000 -1.299 -2.671) 2.970 4.808 ( 0.000 8.495 1.000) 8.554 4.974 ( 0.000 13.855 1.397) 13.926 4.998 ( 0.000 4.781 -2.771) 5.526 5.015 ( 0.000 3.059 -1.380) 3.356 5.132 ( 0.000 0.040 -1.216) 1.217 5.347 ( 0.000 6.083 -3.437) 6.987 5.363 ( 0.000 1.575 1.766) 2.367 5.429 ( 0.000 -4.634 4.294) 6.317 5.496 ( 0.000 6.111 -0.641) 6.145 5.520 ( 0.000 1.273 2.526) 2.828 5.847 ( 0.000 -11.670 1.172) 11.729 6.031 ( 0.000 22.441 2.232) 22.552 6.117 ( 0.000 20.115 2.878) 20.320 6.322 ( 0.000 19.596 -0.696) 19.608 6.381 ( 0.000 9.233 1.517) 9.357 6.901 ( 0.000 3.811 -17.154) 17.573 7.002 ( 0.000 -1.334 -5.657) 5.812 7.136 ( 0.000 -2.107 -3.679) 4.240 7.195 ( 0.000 -6.029 -5.940) 8.464 7.286 ( 0.000 1.035 2.196) 2.428 7.409 ( 0.000 -1.339 -1.936) 2.354 7.468 ( 0.000 -1.860 -6.374) 6.640 7.612 ( 0.000 -4.070 -4.800) 6.293 7.914 ( 0.000 10.032 16.698) 19.480 8.003 ( 0.000 20.717 4.478) 21.195 8.266 ( 0.000 10.727 -4.970) 11.822 8.394 ( 0.000 4.057 -2.307) 4.667 8.535 ( 0.000 4.256 3.197) 5.323 8.638 ( 0.000 17.050 -5.298) 17.854 8.680 ( 0.000 10.250 9.423) 13.923 8.780 ( 0.000 5.684 4.178) 7.055 8.977 ( 0.000 -8.009 -2.617) 8.426 9.126 ( 0.000 0.644 -8.424) 8.448 9.161 ( 0.000 7.538 7.846) 10.880 9.667 ( 0.000 -1.727 -7.232) 7.435 9.695 ( 0.000 9.393 9.042) 13.038 9.876 ( 0.000 -1.952 0.420) 1.996 10.093 ( 0.000 11.246 9.811) 14.924 10.227 ( 0.000 -0.953 1.855) 2.086 10.342 ( 0.000 4.572 -0.715) 4.628 10.425 ( 0.000 20.978 -1.284) 21.017 10.764 ( 0.000 17.427 0.994) 17.455 10.992 ( 0.000 16.779 11.182) 20.163 11.099 ( 0.000 20.959 0.134) 20.960 11.170 ( 0.000 7.966 -10.561) 13.229 11.322 ( 0.000 23.884 -1.266) 23.918 11.759 ( 0.000 8.588 -7.706) 11.539 11.767 ( 0.000 8.725 -4.513) 9.823 11.818 ( 0.000 6.717 -6.297) 9.207 11.886 ( 0.000 16.325 -3.245) 16.645 12.117 ( 0.000 13.446 -2.145) 13.616 12.308 ( 0.000 -1.075 2.558) 2.774 12.498 ( 0.000 -15.710 4.843) 16.440 12.532 ( 0.000 -1.731 7.115) 7.323 12.680 ( 0.000 4.684 -1.973) 5.082 12.919 ( 0.000 -12.644 -5.411) 13.753 13.013 ( 0.000 -13.501 0.218) 13.503 13.082 ( 0.000 -2.649 -1.050) 2.850 13.316 ( 0.000 -12.025 -0.905) 12.059 14.004 ( 0.000 10.456 -5.706) 11.912 14.321 ( 0.000 9.880 9.557) 13.746 14.379 ( 0.000 4.197 -7.471) 8.569 14.638 ( 0.000 -11.737 -4.145) 12.448 14.850 ( 0.000 9.482 0.609) 9.501 15.069 ( 0.000 -2.372 4.657) 5.226 15.333 ( 0.000 5.379 -13.808) 14.819 15.787 ( 0.000 -21.048 -0.648) 21.057 16.294 ( 0.000 -8.972 -6.551) 11.109 16.358 ( 0.000 1.756 -20.724) 20.798 16.644 ( 0.000 -11.676 -4.842) 12.641 16.783 ( 0.000 3.267 16.612) 16.930 16.867 ( 0.000 -7.509 -7.052) 10.301 17.273 ( 0.000 -1.905 12.799) 12.940 17.471 ( 0.000 -12.158 9.098) 15.185 17.517 ( 0.000 -7.123 7.937) 10.665 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 11.094 18.570 4.561) 22.107 1.742 ( 11.159 12.967 12.104) 20.957 1.919 ( -2.256 4.038 6.136) 7.684 2.105 ( -2.039 0.166 0.982) 2.269 2.131 ( -0.221 0.048 3.057) 3.066 2.277 ( -2.841 3.235 0.870) 4.393 2.330 ( -2.615 -0.864 -0.901) 2.898 2.453 ( -2.428 -0.825 1.373) 2.909 2.508 ( -0.719 -1.448 -2.536) 3.007 2.558 ( -1.975 -3.665 2.414) 4.812 2.652 ( -1.581 -2.125 -0.632) 2.723 2.739 ( 1.258 -5.956 1.664) 6.310 2.786 ( -1.303 -5.272 2.903) 6.158 2.939 ( 4.237 -4.319 -0.810) 6.104 3.004 ( -5.227 -5.529 5.141) 9.183 3.107 ( -4.011 0.670 -3.561) 5.405 3.218 ( -1.369 3.228 -1.567) 3.841 3.254 ( -2.809 7.976 -0.476) 8.469 3.365 ( 5.521 4.113 -4.311) 8.123 3.412 ( 2.464 13.853 2.157) 14.235 3.469 ( 2.626 3.768 -1.828) 4.943 3.571 ( 1.891 11.073 2.080) 11.424 3.657 ( 0.173 -1.241 -1.419) 1.893 3.756 ( -0.707 -2.510 0.954) 2.777 3.820 ( 7.437 -4.449 -2.697) 9.076 3.921 ( -10.590 2.226 3.727) 11.445 3.926 ( 2.783 -0.788 1.796) 3.405 4.007 ( -4.678 10.305 4.780) 12.285 4.162 ( -9.239 0.018 -1.000) 9.293 4.297 ( -10.881 -5.213 -0.753) 12.088 4.488 ( 6.336 4.408 -0.031) 7.718 4.685 ( 12.497 6.425 0.440) 14.059 4.772 ( -1.095 6.054 1.861) 6.428 4.850 ( 9.742 0.001 -1.601) 9.873 4.979 ( 0.668 8.987 0.482) 9.024 5.003 ( 0.037 3.202 -1.818) 3.682 5.026 ( 0.956 6.532 -0.829) 6.653 5.184 ( 4.664 0.312 -2.448) 5.277 5.240 ( -8.428 1.316 -0.850) 8.572 5.350 ( -0.432 3.770 2.544) 4.568 5.413 ( -2.077 0.368 1.877) 2.823 5.461 ( -3.219 5.574 0.343) 6.446 5.616 ( 6.946 -3.555 1.637) 7.973 5.832 ( -2.012 -10.997 0.680) 11.200 6.037 ( 0.722 20.722 3.134) 20.970 6.094 ( -1.855 20.067 3.686) 20.487 6.311 ( -0.653 19.012 -0.239) 19.025 6.359 ( -2.045 11.332 0.600) 11.531 6.909 ( 0.988 1.979 -13.592) 13.771 6.984 ( -1.611 0.051 -6.779) 6.968 7.158 ( 1.902 -3.173 -3.481) 5.080 7.201 ( 0.586 -5.466 -2.920) 6.225 7.297 ( 0.433 -0.222 1.813) 1.877 7.361 ( -3.193 0.313 -1.326) 3.471 7.500 ( 2.055 -4.300 -4.360) 6.459 7.593 ( -1.929 -4.657 -4.308) 6.631 7.855 ( -0.687 13.239 8.495) 15.746 8.092 ( 7.114 17.803 1.247) 19.212 8.249 ( -11.422 8.471 -6.107) 15.477 8.323 ( 4.634 11.227 -3.167) 12.551 8.491 ( -9.061 9.522 -1.059) 13.186 8.594 ( -6.222 14.056 6.516) 16.695 8.769 ( 1.080 -0.013 2.674) 2.884 8.827 ( 18.389 9.848 7.882) 22.299 8.967 ( -4.079 -3.321 -3.431) 6.280 9.100 ( 3.077 6.186 -3.263) 7.641 9.231 ( 4.137 3.196 5.524) 7.605 9.660 ( -8.770 5.312 0.883) 10.291 9.812 ( 7.765 3.681 0.225) 8.596 10.007 ( -0.462 10.891 7.112) 13.016 10.123 ( 15.461 3.094 5.694) 16.764 10.314 ( 15.870 -7.133 -4.561) 17.987 10.435 ( 5.746 8.532 -3.687) 10.927 10.507 ( 7.391 19.518 2.393) 21.007 10.726 ( -3.977 14.255 0.206) 14.801 10.891 ( -4.932 19.245 5.639) 20.651 11.041 ( -9.925 14.507 -4.813) 18.224 11.207 ( 4.075 11.528 -4.656) 13.084 11.349 ( -2.243 22.841 -0.593) 22.958 11.488 ( -14.997 4.471 -4.435) 16.265 11.761 ( -1.873 7.655 -2.667) 8.319 11.839 ( -4.765 15.496 -1.244) 16.260 11.907 ( 2.321 7.388 -2.484) 8.133 12.008 ( -6.046 10.639 1.460) 12.324 12.356 ( 2.240 0.728 -1.656) 2.879 12.440 ( -3.191 -6.462 -0.565) 7.229 12.536 ( 0.334 -5.289 4.868) 7.196 12.638 ( -3.701 3.792 -0.952) 5.384 12.920 ( 0.907 -13.450 -3.756) 13.994 12.991 ( -1.692 -14.052 -0.567) 14.164 13.178 ( 6.282 -4.849 -0.112) 7.937 13.309 ( -0.793 -12.388 -0.803) 12.439 13.978 ( -1.435 10.162 -5.028) 11.428 14.140 ( -9.861 7.698 0.159) 12.511 14.503 ( 5.698 7.409 1.805) 9.519 14.633 ( -0.839 -5.197 -1.648) 5.516 14.863 ( 1.334 6.131 -1.084) 6.368 14.991 ( -4.798 -1.285 -1.107) 5.089 15.508 ( 12.705 2.696 -8.787) 15.681 15.788 ( -0.364 -18.450 -1.509) 18.516 16.232 ( -3.930 -10.380 -7.746) 13.535 16.299 ( -5.351 5.390 -15.477) 17.241 16.692 ( 4.082 -6.967 -2.785) 8.542 16.845 ( -0.284 -8.026 -3.954) 8.952 16.896 ( 7.385 -1.718 8.798) 11.615 17.225 ( -4.817 -2.743 9.862) 11.313 17.455 ( -0.718 -11.113 11.196) 15.791 17.501 ( -1.616 -8.369 8.960) 12.367 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -10.202 13.001 5.320) 17.362 1.794 ( 10.202 13.001 5.320) 17.362 1.996 ( -10.928 5.079 3.215) 12.472 1.996 ( 10.928 5.079 3.215) 12.472 2.157 ( -4.204 1.911 4.001) 6.110 2.157 ( 4.204 1.911 4.001) 6.110 2.355 ( -4.769 -2.649 -3.324) 6.388 2.355 ( 4.769 -2.649 -3.324) 6.388 2.514 ( -1.505 -0.680 -1.607) 2.304 2.514 ( 1.505 -0.680 -1.607) 2.304 2.710 ( -3.555 -5.419 4.396) 7.832 2.710 ( 3.555 -5.419 4.396) 7.832 2.860 ( -7.839 -5.763 5.998) 11.430 2.860 ( 7.839 -5.763 5.998) 11.430 3.023 ( -4.089 -4.722 -2.695) 6.803 3.023 ( 4.089 -4.722 -2.695) 6.803 3.208 ( -1.260 6.740 -0.438) 6.871 3.208 ( 1.260 6.740 -0.438) 6.871 3.451 ( -1.850 6.649 -4.336) 8.150 3.451 ( 1.850 6.649 -4.336) 8.150 3.533 ( -5.677 1.269 2.457) 6.314 3.533 ( 5.677 1.269 2.457) 6.314 3.682 ( -5.752 12.607 4.822) 14.672 3.682 ( 5.752 12.607 4.822) 14.672 3.911 ( -9.244 1.751 -2.077) 9.635 3.911 ( 9.244 1.751 -2.077) 9.635 3.944 ( -3.131 1.523 0.107) 3.483 3.944 ( 3.131 1.523 0.107) 3.483 4.093 ( -7.623 -5.939 0.252) 9.667 4.093 ( 7.623 -5.939 0.252) 9.667 4.629 ( -6.961 7.657 0.265) 10.352 4.629 ( 6.961 7.657 0.265) 10.352 4.961 ( -2.671 5.943 -2.293) 6.907 4.961 ( 2.671 5.943 -2.293) 6.907 5.002 ( -3.311 4.245 -1.437) 5.572 5.002 ( 3.311 4.245 -1.437) 5.572 5.039 ( -7.188 0.431 1.710) 7.401 5.039 ( 7.188 0.431 1.710) 7.401 5.311 ( -5.995 -0.083 -2.349) 6.439 5.311 ( 5.995 -0.083 -2.349) 6.439 5.391 ( -2.409 4.991 3.690) 6.658 5.391 ( 2.409 4.991 3.690) 6.658 5.751 ( -5.745 -7.885 0.734) 9.784 5.751 ( 5.745 -7.885 0.734) 9.784 6.060 ( -1.407 19.293 4.180) 19.791 6.060 ( 1.407 19.293 4.180) 19.791 6.317 ( -1.483 15.971 -0.011) 16.040 6.317 ( 1.483 15.971 -0.011) 16.040 6.943 ( -2.150 0.705 -8.874) 9.158 6.943 ( 2.150 0.705 -8.874) 9.158 7.199 ( -1.467 -4.656 -2.721) 5.588 7.199 ( 1.467 -4.656 -2.721) 5.588 7.307 ( -1.631 -0.255 2.290) 2.823 7.307 ( 1.631 -0.255 2.290) 2.823 7.545 ( -2.418 -5.017 -3.628) 6.647 7.545 ( 2.418 -5.017 -3.628) 6.647 7.972 ( -11.203 13.767 -3.613) 18.114 7.972 ( 11.203 13.767 -3.613) 18.114 8.291 ( -9.562 8.758 -1.479) 13.051 8.291 ( 9.562 8.758 -1.479) 13.051 8.450 ( -7.054 18.063 4.303) 19.864 8.450 ( 7.054 18.063 4.303) 19.864 8.844 ( -5.581 -1.967 -1.298) 6.058 8.844 ( 5.581 -1.967 -1.298) 6.058 9.131 ( -4.722 7.525 0.351) 8.890 9.131 ( 4.722 7.525 0.351) 8.890 9.384 ( -14.448 4.689 7.415) 16.903 9.384 ( 14.448 4.689 7.415) 16.903 9.918 ( -4.140 7.469 5.124) 9.959 9.918 ( 4.140 7.469 5.124) 9.959 10.497 ( -8.311 18.483 -7.583) 21.638 10.497 ( 8.311 18.483 -7.583) 21.638 10.603 ( -5.400 -2.054 3.847) 6.941 10.603 ( 5.400 -2.054 3.847) 6.941 10.719 ( -16.160 12.180 -4.228) 20.673 10.719 ( 16.160 12.180 -4.228) 20.673 11.008 ( -19.480 10.283 -2.604) 22.181 11.008 ( 19.480 10.283 -2.604) 22.181 11.334 ( -7.258 12.170 0.830) 14.194 11.334 ( 7.258 12.170 0.830) 14.194 11.749 ( -2.721 11.673 2.509) 12.246 11.749 ( 2.721 11.673 2.509) 12.246 11.938 ( -1.612 8.169 -0.982) 8.384 11.938 ( 1.612 8.169 -0.982) 8.384 12.395 ( -1.960 0.677 -4.763) 5.194 12.395 ( 1.960 0.677 -4.763) 5.194 12.564 ( -2.731 -1.111 2.247) 3.706 12.564 ( 2.731 -1.111 2.247) 3.706 12.952 ( -1.949 -14.383 -2.183) 14.678 12.952 ( 1.949 -14.383 -2.183) 14.678 13.275 ( -2.978 -10.114 0.032) 10.543 13.275 ( 2.978 -10.114 0.032) 10.543 13.994 ( -3.858 9.963 -2.794) 11.043 13.994 ( 3.858 9.963 -2.794) 11.043 14.593 ( -3.181 3.794 1.760) 5.254 14.593 ( 3.181 3.794 1.760) 5.254 14.909 ( -3.225 1.015 -2.863) 4.430 14.909 ( 3.225 1.015 -2.863) 4.430 15.727 ( -7.027 -7.104 -5.090) 11.213 15.727 ( 7.027 -7.104 -5.090) 11.213 16.204 ( -2.186 -2.356 -10.067) 10.568 16.204 ( 2.186 -2.356 -10.067) 10.568 16.785 ( -4.475 -5.346 -3.175) 7.661 16.785 ( 4.475 -5.346 -3.175) 7.661 17.082 ( -8.923 -4.791 7.324) 12.499 17.082 ( 8.923 -4.791 7.324) 12.499 17.464 ( -1.537 -9.659 11.342) 14.977 17.464 ( 1.537 -9.659 11.342) 14.977 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 0.000 14.099 3.327) 14.486 1.904 ( 0.000 2.988 3.399) 4.525 1.968 ( 0.000 7.996 5.773) 9.862 2.101 ( 0.000 -2.810 3.108) 4.190 2.171 ( 0.000 4.234 5.043) 6.584 2.288 ( 0.000 -3.974 0.655) 4.028 2.335 ( 0.000 1.106 2.023) 2.306 2.420 ( 0.000 -6.502 2.154) 6.850 2.492 ( 0.000 -5.114 6.181) 8.022 2.501 ( 0.000 -2.221 3.700) 4.315 2.521 ( 0.000 1.159 1.221) 1.684 2.630 ( 0.000 -7.786 1.613) 7.951 2.850 ( 0.000 0.700 -1.065) 1.275 2.859 ( 0.000 0.529 1.116) 1.235 2.946 ( 0.000 0.156 -0.060) 0.167 3.052 ( 0.000 -8.170 0.472) 8.184 3.347 ( 0.000 3.792 -6.805) 7.790 3.354 ( 0.000 2.868 -7.154) 7.707 3.465 ( 0.000 6.275 -1.547) 6.462 3.513 ( 0.000 4.014 -3.223) 5.148 3.552 ( 0.000 2.393 -0.912) 2.561 3.564 ( 0.000 -3.309 -4.175) 5.327 3.625 ( 0.000 1.686 -2.439) 2.965 3.707 ( 0.000 -4.021 -0.586) 4.064 3.744 ( 0.000 -3.047 2.510) 3.948 3.757 ( 0.000 -4.157 4.854) 6.391 4.280 ( 0.000 5.697 5.965) 8.249 4.290 ( 0.000 17.246 -1.219) 17.289 4.337 ( 0.000 -2.923 6.769) 7.373 4.433 ( 0.000 0.575 -4.772) 4.807 4.511 ( 0.000 9.399 4.070) 10.242 4.514 ( 0.000 5.772 1.957) 6.095 4.624 ( 0.000 -4.155 -0.419) 4.176 4.783 ( 0.000 -10.490 5.207) 11.711 5.053 ( 0.000 1.623 -2.598) 3.064 5.087 ( 0.000 -1.426 -3.597) 3.869 5.147 ( 0.000 6.786 -2.663) 7.290 5.170 ( 0.000 6.956 -0.595) 6.981 5.325 ( 0.000 -4.481 1.047) 4.601 5.382 ( 0.000 -5.962 -0.540) 5.987 5.418 ( 0.000 3.581 2.928) 4.625 5.482 ( 0.000 -2.689 1.890) 3.287 5.579 ( 0.000 2.633 -0.034) 2.633 5.643 ( 0.000 -6.162 1.222) 6.282 6.376 ( 0.000 13.246 -1.365) 13.316 6.497 ( 0.000 14.286 3.972) 14.827 6.509 ( 0.000 0.839 0.006) 0.839 6.584 ( 0.000 5.289 1.511) 5.500 6.987 ( 0.000 3.039 -7.704) 8.282 7.029 ( 0.000 6.340 -10.142) 11.960 7.066 ( 0.000 -6.100 -5.767) 8.395 7.108 ( 0.000 -1.206 -4.813) 4.962 7.260 ( 0.000 -1.265 4.187) 4.374 7.348 ( 0.000 -8.448 -0.210) 8.451 7.431 ( 0.000 3.045 -4.056) 5.072 7.512 ( 0.000 -5.061 -5.048) 7.148 8.092 ( 0.000 7.055 9.036) 11.464 8.164 ( 0.000 0.123 1.886) 1.890 8.411 ( 0.000 3.434 -2.577) 4.293 8.436 ( 0.000 0.393 -3.195) 3.219 8.656 ( 0.000 7.004 3.293) 7.740 8.776 ( 0.000 -3.065 7.094) 7.728 8.856 ( 0.000 -0.914 6.239) 6.305 8.860 ( 0.000 1.552 8.976) 9.109 8.935 ( 0.000 11.253 -4.131) 11.987 9.093 ( 0.000 -4.866 -7.485) 8.928 9.411 ( 0.000 17.192 1.411) 17.250 9.687 ( 0.000 0.457 -4.821) 4.842 9.731 ( 0.000 -8.333 2.853) 8.808 9.795 ( 0.000 -1.916 3.645) 4.118 10.207 ( 0.000 7.922 -3.411) 8.625 10.356 ( 0.000 -4.357 -5.129) 6.729 10.420 ( 0.000 12.508 13.052) 18.078 10.574 ( 0.000 -2.217 10.897) 11.120 11.129 ( 0.000 14.327 -5.317) 15.282 11.261 ( 0.000 -0.163 -9.074) 9.075 11.343 ( 0.000 16.665 8.198) 18.573 11.439 ( 0.000 11.258 2.012) 11.436 11.614 ( 0.000 8.300 0.197) 8.302 11.806 ( 0.000 -5.106 -11.011) 12.138 11.954 ( 0.000 5.607 -5.702) 7.997 11.968 ( 0.000 7.541 -10.641) 13.042 12.222 ( 0.000 -7.693 4.152) 8.742 12.224 ( 0.000 -6.048 2.048) 6.385 12.291 ( 0.000 20.413 1.087) 20.442 12.346 ( 0.000 7.815 -0.441) 7.828 12.575 ( 0.000 -2.755 -2.437) 3.678 12.632 ( 0.000 5.122 4.650) 6.918 12.689 ( 0.000 -17.278 0.671) 17.291 12.871 ( 0.000 7.623 -2.176) 7.928 12.964 ( 0.000 -12.166 2.617) 12.445 13.070 ( 0.000 -12.232 -2.855) 12.561 14.161 ( 0.000 6.717 -6.737) 9.513 14.327 ( 0.000 -10.339 -6.493) 12.209 14.527 ( 0.000 2.913 -7.113) 7.687 14.539 ( 0.000 6.510 -2.804) 7.088 14.951 ( 0.000 9.634 3.257) 10.170 15.273 ( 0.000 16.630 4.430) 17.210 15.309 ( 0.000 -20.229 1.358) 20.274 15.464 ( 0.000 -2.167 -2.689) 3.454 16.096 ( 0.000 -6.838 -9.753) 11.911 16.179 ( 0.000 -12.951 -12.271) 17.841 16.631 ( 0.000 5.128 -13.846) 14.765 16.735 ( 0.000 -5.477 -12.197) 13.371 16.946 ( 0.000 11.604 15.817) 19.617 17.200 ( 0.000 -12.809 13.185) 18.383 17.291 ( 0.000 1.466 11.347) 11.442 17.379 ( 0.000 -6.479 10.292) 12.162 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 8.536 11.108 1.385) 14.077 1.945 ( 3.501 3.181 4.154) 6.295 1.983 ( 1.115 6.406 5.587) 8.573 2.089 ( -1.211 -2.452 3.033) 4.084 2.160 ( -0.100 3.812 4.744) 6.087 2.253 ( 0.036 -2.928 1.196) 3.163 2.397 ( 0.540 4.313 -0.176) 4.350 2.442 ( -3.300 0.975 1.260) 3.665 2.482 ( -0.728 -2.749 1.192) 3.084 2.505 ( 1.209 -3.687 5.469) 6.705 2.537 ( 3.868 -6.144 1.617) 7.438 2.608 ( 0.150 -5.766 4.365) 7.233 2.748 ( -5.157 3.574 -0.338) 6.284 2.849 ( -1.758 -5.439 0.867) 5.782 2.902 ( -4.633 -1.111 2.810) 5.531 2.975 ( -5.968 -7.532 0.438) 9.620 3.339 ( 0.970 4.172 -4.440) 6.169 3.371 ( -1.009 1.169 -5.274) 5.495 3.452 ( 0.305 5.711 -2.604) 6.284 3.527 ( 1.311 6.296 -1.260) 6.553 3.552 ( -2.371 1.564 -1.629) 3.275 3.596 ( -2.986 -2.019 1.133) 3.779 3.672 ( 3.863 -1.263 -2.250) 4.645 3.693 ( 2.177 -4.484 -3.535) 6.111 3.740 ( 5.924 -1.965 0.640) 6.275 3.805 ( 2.380 -6.367 1.369) 6.934 4.156 ( -10.196 1.723 -1.270) 10.418 4.194 ( -10.655 -2.219 0.486) 10.895 4.291 ( 1.696 20.269 4.178) 20.765 4.395 ( -2.506 20.875 5.935) 21.847 4.520 ( 6.688 -2.649 1.157) 7.285 4.743 ( 9.195 -0.301 0.740) 9.230 4.752 ( 2.480 -7.527 3.296) 8.583 4.816 ( 10.533 -3.691 -0.465) 11.171 5.055 ( 0.076 2.700 -3.109) 4.118 5.115 ( 0.585 -2.794 -3.655) 4.638 5.125 ( -1.622 7.340 -1.685) 7.704 5.161 ( -0.413 4.668 0.042) 4.687 5.243 ( -6.341 -2.079 1.200) 6.780 5.347 ( -3.720 -8.212 -0.343) 9.022 5.435 ( 1.536 4.473 2.687) 5.439 5.503 ( 1.348 -1.693 0.514) 2.225 5.565 ( -0.813 0.718 1.639) 1.965 5.631 ( -1.245 -6.747 1.361) 6.994 6.379 ( 0.442 13.460 0.339) 13.472 6.460 ( -2.944 13.769 3.836) 14.593 6.513 ( 0.322 1.200 0.592) 1.376 6.560 ( -1.913 4.378 2.126) 5.230 6.979 ( -0.305 4.763 -8.052) 9.360 7.018 ( -0.686 4.153 -7.679) 8.757 7.091 ( 0.892 -4.946 -4.356) 6.651 7.108 ( 0.460 -2.637 -4.436) 5.181 7.269 ( 1.094 -0.223 3.503) 3.677 7.361 ( 1.157 -7.026 -1.199) 7.221 7.398 ( -2.873 1.862 -1.808) 3.872 7.481 ( -2.869 -5.614 -4.031) 7.483 8.082 ( 1.671 9.424 3.639) 10.240 8.200 ( 3.892 -1.996 -0.502) 4.403 8.382 ( -6.022 4.934 -4.608) 9.047 8.434 ( -1.797 0.137 -1.813) 2.556 8.683 ( -2.853 7.203 0.787) 7.787 8.742 ( 2.085 0.478 3.887) 4.437 8.767 ( -0.839 3.029 1.553) 3.506 8.868 ( -1.373 -5.275 -4.759) 7.236 9.089 ( 12.114 9.996 8.668) 17.939 9.180 ( 8.260 -0.021 4.364) 9.343 9.392 ( -1.795 13.681 1.692) 13.901 9.632 ( -6.597 -8.468 0.242) 10.737 9.888 ( 13.048 6.509 2.860) 14.859 10.051 ( 19.276 -8.492 3.288) 21.319 10.291 ( -5.964 12.549 7.541) 15.809 10.329 ( 11.618 10.496 -4.088) 16.182 10.448 ( 6.490 -4.288 -3.013) 8.342 10.574 ( -0.193 -8.731 6.364) 10.806 11.083 ( -4.719 14.499 -6.683) 16.648 11.178 ( -10.490 4.795 -9.939) 15.226 11.356 ( 0.025 15.747 4.184) 16.293 11.424 ( -0.225 8.115 4.754) 9.407 11.562 ( -7.126 5.819 0.249) 9.204 11.675 ( -10.422 4.339 -4.930) 12.319 11.890 ( -0.614 6.938 -2.946) 7.562 12.003 ( 0.138 1.545 -3.067) 3.437 12.108 ( -7.096 2.231 1.181) 7.532 12.169 ( -8.010 -0.885 4.138) 9.059 12.319 ( 2.554 8.445 -1.026) 8.882 12.342 ( 1.800 5.189 -0.314) 5.502 12.591 ( 0.894 -12.900 -5.163) 13.924 12.625 ( 0.455 8.595 1.240) 8.696 12.678 ( -0.290 -13.099 -0.277) 13.105 12.818 ( -4.090 8.395 -1.814) 9.513 12.988 ( 0.925 -15.196 1.614) 15.309 13.051 ( -1.641 -12.800 -2.282) 13.105 14.172 ( 2.243 11.232 -5.993) 12.927 14.353 ( -1.585 5.519 -7.377) 9.348 14.454 ( -0.168 -5.270 -4.086) 6.671 14.570 ( -0.815 -3.747 -6.350) 7.419 14.992 ( 3.805 12.580 3.901) 13.710 15.194 ( -5.071 16.333 3.243) 17.406 15.364 ( 3.580 -21.098 2.924) 21.598 15.486 ( 0.019 -9.818 -0.917) 9.861 16.133 ( 6.493 3.737 -11.265) 13.529 16.315 ( 8.831 -9.082 -14.117) 18.968 16.568 ( -5.114 2.659 -12.472) 13.740 16.700 ( -3.739 -7.922 -13.155) 15.805 16.996 ( 4.450 9.684 15.049) 18.441 17.218 ( 1.532 -10.572 13.463) 17.186 17.233 ( -4.951 1.526 12.410) 13.448 17.343 ( -3.219 -7.467 11.451) 14.045 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( -1.381 5.768 4.782) 7.618 1.987 ( 1.381 5.768 4.782) 7.618 2.041 ( -4.318 -0.321 1.997) 4.769 2.041 ( 4.318 -0.321 1.997) 4.769 2.236 ( -8.685 6.316 2.183) 10.958 2.236 ( 8.685 6.316 2.183) 10.958 2.330 ( -6.796 -1.644 -0.867) 7.046 2.330 ( 6.796 -1.644 -0.867) 7.046 2.516 ( -2.567 1.710 2.140) 3.754 2.516 ( 2.567 1.710 2.140) 3.754 2.615 ( -0.982 -6.064 2.616) 6.677 2.615 ( 0.982 -6.064 2.616) 6.677 2.759 ( -7.065 -0.067 4.303) 8.272 2.759 ( 7.065 -0.067 4.303) 8.272 2.868 ( -3.838 -8.565 1.482) 9.502 2.868 ( 3.838 -8.565 1.482) 9.502 3.363 ( -0.937 6.974 -3.640) 7.922 3.363 ( 0.937 6.974 -3.640) 7.922 3.461 ( -2.801 -3.056 -1.508) 4.412 3.461 ( 2.801 -3.056 -1.508) 4.412 3.566 ( -1.761 4.891 -0.141) 5.200 3.566 ( 1.761 4.891 -0.141) 5.200 3.699 ( -1.020 -7.095 -0.517) 7.187 3.699 ( 1.020 -7.095 -0.517) 7.187 3.920 ( -6.383 2.039 -2.657) 7.208 3.920 ( 6.383 2.039 -2.657) 7.208 3.978 ( -6.385 -3.796 -1.614) 7.602 3.978 ( 6.385 -3.796 -1.614) 7.602 4.345 ( -2.826 23.840 5.408) 24.608 4.345 ( 2.826 23.840 5.408) 24.608 4.662 ( -6.411 -6.555 2.486) 9.500 4.662 ( 6.411 -6.555 2.486) 9.500 4.988 ( -8.981 0.787 -2.153) 9.269 4.988 ( 8.981 0.787 -2.153) 9.269 5.025 ( -7.793 -1.950 -1.860) 8.246 5.025 ( 7.793 -1.950 -1.860) 8.246 5.110 ( -0.549 6.240 -0.212) 6.268 5.110 ( 0.549 6.240 -0.212) 6.268 5.249 ( -4.792 -6.886 0.172) 8.391 5.249 ( 4.792 -6.886 0.172) 8.391 5.482 ( -2.705 4.994 1.608) 5.903 5.482 ( 2.705 4.994 1.608) 5.903 5.591 ( -2.495 -6.729 1.530) 7.337 5.591 ( 2.495 -6.729 1.530) 7.337 6.404 ( -2.150 13.599 2.979) 14.086 6.404 ( 2.150 13.599 2.979) 14.086 6.527 ( -1.138 2.576 1.887) 3.390 6.527 ( 1.138 2.576 1.887) 3.390 6.992 ( -1.464 5.097 -6.900) 8.702 6.992 ( 1.464 5.097 -6.900) 8.702 7.107 ( -0.803 -5.259 -3.358) 6.291 7.107 ( 0.803 -5.259 -3.358) 6.291 7.317 ( -3.583 2.282 0.854) 4.333 7.317 ( 3.583 2.282 0.854) 4.333 7.414 ( -3.154 -7.061 -2.278) 8.062 7.414 ( 3.154 -7.061 -2.278) 8.062 8.199 ( -9.107 9.311 -2.898) 13.343 8.199 ( 9.107 9.311 -2.898) 13.343 8.320 ( -7.265 -2.855 -2.345) 8.150 8.320 ( 7.265 -2.855 -2.345) 8.150 8.724 ( -4.005 7.171 0.951) 8.269 8.724 ( 4.005 7.171 0.951) 8.269 8.801 ( -4.200 -2.444 -1.180) 5.000 8.801 ( 4.200 -2.444 -1.180) 5.000 9.305 ( -5.761 9.319 2.576) 11.255 9.305 ( 5.761 9.319 2.576) 11.255 9.428 ( -12.878 -1.948 6.253) 14.448 9.428 ( 12.878 -1.948 6.253) 14.448 10.103 ( -8.967 13.106 8.141) 17.845 10.103 ( 8.967 13.106 8.141) 17.845 10.391 ( -10.821 -14.584 5.904) 19.096 10.391 ( 10.821 -14.584 5.904) 19.096 10.757 ( -15.008 8.632 -11.435) 20.749 10.757 ( 15.008 8.632 -11.435) 20.749 10.853 ( -9.252 -0.746 -11.181) 14.532 10.853 ( 9.252 -0.746 -11.181) 14.532 11.355 ( -2.884 19.461 4.809) 20.253 11.355 ( 2.884 19.461 4.809) 20.253 11.525 ( -4.981 3.584 6.196) 8.721 11.525 ( 4.981 3.584 6.196) 8.721 11.945 ( -5.295 6.613 3.625) 9.215 11.945 ( 5.295 6.613 3.625) 9.215 12.049 ( -2.278 -0.210 -4.444) 4.998 12.049 ( 2.278 -0.210 -4.444) 4.998 12.361 ( -0.555 4.269 -1.290) 4.494 12.361 ( 0.555 4.269 -1.290) 4.494 12.613 ( -1.305 -12.169 -3.832) 12.824 12.613 ( 1.305 -12.169 -3.832) 12.824 12.726 ( -4.425 8.387 -0.471) 9.495 12.726 ( 4.425 8.387 -0.471) 9.495 13.012 ( -1.828 -15.761 -0.705) 15.882 13.012 ( 1.828 -15.761 -0.705) 15.882 14.256 ( -5.437 15.102 -5.776) 17.059 14.256 ( 5.437 15.102 -5.776) 17.059 14.517 ( -3.777 -10.378 -6.295) 12.712 14.517 ( 3.777 -10.378 -6.295) 12.712 15.088 ( -5.215 15.749 3.955) 17.055 15.088 ( 5.215 15.749 3.955) 17.055 15.442 ( -3.671 -18.854 1.688) 19.282 15.442 ( 3.671 -18.854 1.688) 19.282 16.321 ( -9.137 11.709 -14.050) 20.445 16.321 ( 9.137 11.709 -14.050) 20.445 16.582 ( -7.056 -13.676 -13.140) 20.236 16.582 ( 7.056 -13.676 -13.140) 20.236 17.109 ( -6.329 6.165 14.362) 16.862 17.109 ( 6.329 6.165 14.362) 16.862 17.271 ( -3.363 -9.703 13.039) 16.597 17.271 ( 3.363 -9.703 13.039) 16.597 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 0.000 0.000 23.121) 23.121 1.252 ( 0.000 0.000 27.783) 27.783 1.884 ( 0.000 0.000 9.754) 9.754 1.905 ( 0.000 0.000 2.016) 2.016 1.998 ( 0.000 0.000 42.568) 42.568 2.068 ( 0.000 0.000 9.909) 9.909 2.214 ( 0.000 0.000 5.126) 5.126 2.246 ( 0.000 0.000 -7.735) 7.735 2.316 ( 0.000 0.000 4.244) 4.244 2.464 ( 0.000 0.000 -7.081) 7.081 2.579 ( 0.000 0.000 -1.999) 1.999 2.759 ( 0.000 0.000 -7.354) 7.354 2.804 ( 0.000 0.000 -4.368) 4.368 2.810 ( 0.000 0.000 -8.858) 8.858 2.893 ( 0.000 0.000 0.768) 0.768 2.899 ( 0.000 0.000 -7.978) 7.978 3.003 ( 0.000 0.000 0.012) 0.012 3.145 ( 0.000 0.000 0.027) 0.027 3.184 ( 0.000 0.000 -7.193) 7.193 3.206 ( 0.000 0.000 -4.082) 4.082 3.372 ( 0.000 0.000 -4.063) 4.063 3.468 ( 0.000 0.000 6.690) 6.690 3.645 ( 0.000 0.000 4.148) 4.148 3.704 ( 0.000 0.000 -2.624) 2.624 3.781 ( 0.000 0.000 7.645) 7.645 3.930 ( 0.000 0.000 -1.267) 1.267 3.999 ( 0.000 0.000 -1.718) 1.718 4.081 ( 0.000 0.000 3.729) 3.729 4.099 ( 0.000 0.000 -2.018) 2.018 4.174 ( 0.000 0.000 -0.868) 0.868 4.214 ( 0.000 0.000 -6.709) 6.709 4.301 ( 0.000 0.000 -3.350) 3.350 4.539 ( 0.000 0.000 1.233) 1.233 4.549 ( 0.000 0.000 8.732) 8.732 4.557 ( 0.000 0.000 -2.431) 2.431 4.669 ( 0.000 0.000 -2.660) 2.660 4.770 ( 0.000 0.000 2.817) 2.817 4.825 ( 0.000 0.000 3.980) 3.980 4.979 ( 0.000 0.000 -3.377) 3.377 5.049 ( 0.000 0.000 -3.472) 3.472 5.320 ( 0.000 0.000 1.275) 1.275 5.399 ( 0.000 0.000 3.576) 3.576 5.511 ( 0.000 0.000 -7.297) 7.297 5.614 ( 0.000 0.000 -8.488) 8.488 5.629 ( 0.000 0.000 5.928) 5.928 5.646 ( 0.000 0.000 0.165) 0.165 5.699 ( 0.000 0.000 1.060) 1.060 6.064 ( 0.000 0.000 -4.101) 4.101 6.315 ( 0.000 0.000 18.065) 18.065 6.818 ( 0.000 0.000 1.518) 1.518 6.830 ( 0.000 0.000 14.292) 14.292 6.949 ( 0.000 0.000 -2.037) 2.037 7.121 ( 0.000 0.000 -1.377) 1.377 7.177 ( 0.000 0.000 -6.092) 6.092 7.295 ( 0.000 0.000 -7.079) 7.079 7.478 ( 0.000 0.000 -9.449) 9.449 7.661 ( 0.000 0.000 -3.525) 3.525 7.798 ( 0.000 0.000 -8.966) 8.966 7.879 ( 0.000 0.000 8.249) 8.249 7.966 ( 0.000 0.000 -5.477) 5.477 8.140 ( 0.000 0.000 4.063) 4.063 8.206 ( 0.000 0.000 4.752) 4.752 8.657 ( 0.000 0.000 7.134) 7.134 8.671 ( 0.000 0.000 -9.986) 9.986 8.764 ( 0.000 0.000 3.496) 3.496 8.882 ( 0.000 0.000 9.561) 9.561 8.983 ( 0.000 0.000 -3.982) 3.982 9.066 ( 0.000 0.000 1.984) 1.984 9.218 ( 0.000 0.000 -1.006) 1.006 9.315 ( 0.000 0.000 -11.711) 11.711 9.952 ( 0.000 0.000 -2.637) 2.637 9.972 ( 0.000 0.000 -2.199) 2.199 10.140 ( 0.000 0.000 -8.776) 8.776 10.202 ( 0.000 0.000 -2.762) 2.762 10.334 ( 0.000 0.000 2.057) 2.057 10.524 ( 0.000 0.000 2.293) 2.293 10.650 ( 0.000 0.000 9.337) 9.337 10.651 ( 0.000 0.000 9.019) 9.019 11.026 ( 0.000 0.000 -16.721) 16.721 11.081 ( 0.000 0.000 -10.421) 10.421 11.149 ( 0.000 0.000 1.111) 1.111 11.287 ( 0.000 0.000 1.156) 1.156 11.493 ( 0.000 0.000 -4.846) 4.846 11.540 ( 0.000 0.000 -9.159) 9.159 12.540 ( 0.000 0.000 8.472) 8.472 12.588 ( 0.000 0.000 7.864) 7.864 12.707 ( 0.000 0.000 -0.475) 0.475 12.815 ( 0.000 0.000 -3.484) 3.484 12.962 ( 0.000 0.000 16.864) 16.864 13.320 ( 0.000 0.000 0.710) 0.710 13.371 ( 0.000 0.000 4.388) 4.388 13.788 ( 0.000 0.000 4.350) 4.350 13.820 ( 0.000 0.000 7.709) 7.709 14.047 ( 0.000 0.000 -3.148) 3.148 14.102 ( 0.000 0.000 -4.084) 4.084 14.643 ( 0.000 0.000 -23.166) 23.166 14.800 ( 0.000 0.000 -0.233) 0.233 14.812 ( 0.000 0.000 -9.909) 9.909 15.445 ( 0.000 0.000 10.672) 10.672 15.886 ( 0.000 0.000 7.859) 7.859 16.289 ( 0.000 0.000 -9.977) 9.977 16.485 ( 0.000 0.000 -5.167) 5.167 17.024 ( 0.000 0.000 8.504) 8.504 17.173 ( 0.000 0.000 -1.720) 1.720 17.289 ( 0.000 0.000 1.824) 1.824 17.605 ( 0.000 0.000 -3.500) 3.500 17.884 ( 0.000 0.000 6.907) 6.907 18.011 ( 0.000 0.000 3.928) 3.928 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 7.535 0.000 20.810) 22.132 1.251 ( 4.660 0.000 26.456) 26.863 1.595 ( -14.656 0.000 11.574) 18.675 1.879 ( -16.107 0.000 11.002) 19.506 2.140 ( 8.930 0.000 -4.810) 10.143 2.208 ( 5.300 0.000 12.586) 13.656 2.215 ( 2.256 0.000 9.416) 9.683 2.272 ( 1.974 0.000 -6.263) 6.567 2.384 ( 11.709 0.000 13.615) 17.958 2.500 ( 0.791 0.000 -4.781) 4.846 2.558 ( 0.942 0.000 -4.609) 4.704 2.645 ( -3.218 0.000 -2.051) 3.816 2.743 ( -1.532 0.000 -4.549) 4.800 2.832 ( -5.651 0.000 2.449) 6.159 2.868 ( -2.669 0.000 -1.180) 2.918 2.951 ( 7.505 0.000 -5.934) 9.567 3.005 ( 0.953 0.000 0.505) 1.079 3.119 ( -2.035 0.000 -1.471) 2.511 3.154 ( -2.709 0.000 -6.370) 6.922 3.333 ( 7.177 0.000 -0.059) 7.177 3.428 ( 5.772 0.000 -5.071) 7.683 3.487 ( 1.953 0.000 6.618) 6.900 3.667 ( -4.801 0.000 6.811) 8.333 3.697 ( -3.357 0.000 -0.697) 3.429 3.723 ( 3.752 0.000 1.210) 3.943 3.888 ( -7.339 0.000 -1.148) 7.428 3.945 ( -21.792 0.000 15.040) 26.478 3.946 ( -2.276 0.000 0.902) 2.448 4.128 ( 4.241 0.000 -2.678) 5.016 4.134 ( -0.108 0.000 -0.146) 0.182 4.179 ( -1.420 0.000 4.679) 4.890 4.241 ( 1.178 0.000 -4.523) 4.674 4.427 ( 2.908 0.000 -8.600) 9.079 4.555 ( 0.328 0.000 -3.407) 3.423 4.599 ( -3.933 0.000 -0.439) 3.957 4.647 ( -2.277 0.000 -3.291) 4.001 4.844 ( 4.932 0.000 0.727) 4.986 4.957 ( 0.447 0.000 -5.170) 5.189 5.032 ( 7.074 0.000 -0.343) 7.083 5.119 ( 6.907 0.000 -1.642) 7.099 5.342 ( 2.195 0.000 1.846) 2.868 5.381 ( -0.377 0.000 3.045) 3.069 5.479 ( -1.913 0.000 -4.626) 5.006 5.488 ( -4.953 0.000 1.760) 5.256 5.645 ( 0.300 0.000 0.302) 0.426 5.713 ( -0.176 0.000 0.610) 0.635 5.796 ( 8.302 0.000 -3.228) 8.907 6.029 ( -3.179 0.000 -2.397) 3.982 6.383 ( 6.042 0.000 13.169) 14.489 6.652 ( -6.891 0.000 7.258) 10.008 6.954 ( 0.818 0.000 -1.380) 1.604 7.069 ( 13.291 0.000 4.292) 13.967 7.070 ( -3.704 0.000 -0.609) 3.753 7.216 ( 2.609 0.000 -6.766) 7.252 7.291 ( -0.610 0.000 -7.041) 7.068 7.435 ( -3.260 0.000 -6.777) 7.520 7.695 ( -8.176 0.000 -5.867) 10.064 7.730 ( 6.370 0.000 -2.467) 6.831 7.795 ( -8.072 0.000 11.535) 14.079 7.961 ( -0.745 0.000 -3.504) 3.582 8.110 ( -4.813 0.000 3.368) 5.875 8.114 ( -4.288 0.000 -0.565) 4.325 8.642 ( 2.442 0.000 -6.590) 7.028 8.747 ( 6.305 0.000 4.457) 7.721 8.883 ( 5.495 0.000 -2.611) 6.084 8.971 ( -0.674 0.000 -2.081) 2.188 8.982 ( 7.294 0.000 7.135) 10.203 9.060 ( -0.250 0.000 1.331) 1.354 9.188 ( -3.003 0.000 -0.840) 3.119 9.258 ( -5.115 0.000 -3.573) 6.239 9.827 ( -4.904 0.000 0.565) 4.937 9.933 ( -0.498 0.000 2.151) 2.208 10.071 ( -8.546 0.000 -4.981) 9.892 10.311 ( -11.109 0.000 5.530) 12.410 10.360 ( 5.360 0.000 0.984) 5.449 10.445 ( 11.188 0.000 -3.798) 11.815 10.624 ( 8.203 0.000 -1.250) 8.298 10.770 ( -1.999 0.000 2.003) 2.830 10.925 ( -8.026 0.000 -11.455) 13.987 11.035 ( -6.060 0.000 -11.842) 13.303 11.160 ( 1.324 0.000 1.278) 1.841 11.259 ( -2.322 0.000 1.036) 2.542 11.507 ( 1.190 0.000 -4.587) 4.739 11.538 ( -0.154 0.000 -7.144) 7.146 12.602 ( 3.211 0.000 9.074) 9.625 12.699 ( 5.648 0.000 7.654) 9.512 12.732 ( 2.806 0.000 0.352) 2.828 12.833 ( 0.470 0.000 -1.792) 1.853 12.981 ( 5.432 0.000 7.581) 9.326 13.294 ( -3.311 0.000 -0.840) 3.416 13.427 ( 5.243 0.000 6.139) 8.073 13.712 ( -7.676 0.000 7.427) 10.681 13.824 ( 3.477 0.000 2.548) 4.311 14.010 ( -3.520 0.000 -2.605) 4.379 14.235 ( 9.883 0.000 -7.304) 12.289 14.602 ( -4.901 0.000 -23.952) 24.448 14.740 ( -3.237 0.000 -4.362) 5.432 14.784 ( -2.672 0.000 1.699) 3.166 15.514 ( 5.923 0.000 7.822) 9.811 15.793 ( -6.777 0.000 5.810) 8.927 16.408 ( 8.027 0.000 -8.476) 11.673 16.511 ( 2.006 0.000 -5.628) 5.975 17.005 ( -1.156 0.000 6.477) 6.579 17.105 ( -5.021 0.000 -1.034) 5.126 17.355 ( 4.592 0.000 1.695) 4.894 17.542 ( -4.785 0.000 0.499) 4.811 17.913 ( 2.188 0.000 6.072) 6.455 17.994 ( -1.489 0.000 4.928) 5.148 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -12.461 0.000 16.138) 20.389 1.316 ( 12.461 0.000 16.138) 20.389 1.502 ( -18.241 0.000 16.579) 24.650 1.502 ( 18.241 0.000 16.579) 24.650 2.230 ( -1.217 0.000 4.538) 4.698 2.230 ( 1.217 0.000 4.538) 4.698 2.260 ( -3.595 0.000 -9.936) 10.567 2.260 ( 3.595 0.000 -9.936) 10.567 2.484 ( -0.988 0.000 -7.631) 7.695 2.484 ( 0.988 0.000 -7.631) 7.695 2.693 ( -6.704 0.000 4.467) 8.056 2.693 ( 6.704 0.000 4.467) 8.056 2.728 ( -5.895 0.000 3.062) 6.643 2.728 ( 5.895 0.000 3.062) 6.643 2.922 ( -9.260 0.000 2.341) 9.552 2.922 ( 9.260 0.000 2.341) 9.552 3.078 ( -4.903 0.000 -5.962) 7.719 3.078 ( 4.903 0.000 -5.962) 7.719 3.264 ( -16.374 0.000 15.209) 22.348 3.264 ( 16.374 0.000 15.209) 22.348 3.524 ( -2.428 0.000 -3.885) 4.581 3.524 ( 2.428 0.000 -3.885) 4.581 3.553 ( -4.675 0.000 6.307) 7.850 3.553 ( 4.675 0.000 6.307) 7.850 3.768 ( -3.048 0.000 1.394) 3.352 3.768 ( 3.048 0.000 1.394) 3.352 3.847 ( -6.411 0.000 0.575) 6.436 3.847 ( 6.411 0.000 0.575) 6.436 4.157 ( -1.934 0.000 2.121) 2.870 4.157 ( 1.934 0.000 2.121) 2.870 4.221 ( -3.415 0.000 -2.609) 4.298 4.221 ( 3.415 0.000 -2.609) 4.298 4.507 ( -4.515 0.000 -3.628) 5.792 4.507 ( 4.515 0.000 -3.628) 5.792 4.588 ( -2.848 0.000 -4.020) 4.927 4.588 ( 2.848 0.000 -4.020) 4.927 4.928 ( -2.891 0.000 -2.366) 3.736 4.928 ( 2.891 0.000 -2.366) 3.736 5.140 ( -4.179 0.000 -6.529) 7.752 5.140 ( 4.179 0.000 -6.529) 7.752 5.404 ( -3.662 0.000 2.732) 4.569 5.404 ( 3.662 0.000 2.732) 4.569 5.437 ( -3.303 0.000 0.960) 3.440 5.437 ( 3.303 0.000 0.960) 3.440 5.674 ( -2.725 0.000 1.212) 2.982 5.674 ( 2.725 0.000 1.212) 2.982 5.939 ( -5.702 0.000 -2.644) 6.285 5.939 ( 5.702 0.000 -2.644) 6.285 6.520 ( -6.671 0.000 7.848) 10.300 6.520 ( 6.671 0.000 7.848) 10.300 6.995 ( -3.226 0.000 -0.303) 3.240 6.995 ( 3.226 0.000 -0.303) 3.240 7.265 ( -1.971 0.000 -7.178) 7.444 7.265 ( 1.971 0.000 -7.178) 7.444 7.322 ( -9.884 0.000 -6.013) 11.570 7.322 ( 9.884 0.000 -6.013) 11.570 7.626 ( -4.717 0.000 10.046) 11.098 7.626 ( 4.717 0.000 10.046) 11.098 7.882 ( -7.285 0.000 1.170) 7.378 7.882 ( 7.285 0.000 1.170) 7.378 8.057 ( -1.549 0.000 -4.691) 4.940 8.057 ( 1.549 0.000 -4.691) 4.940 8.755 ( -6.073 0.000 -6.263) 8.724 8.755 ( 6.073 0.000 -6.263) 8.724 8.954 ( -3.480 0.000 2.200) 4.117 8.954 ( 3.480 0.000 2.200) 4.117 9.103 ( -4.654 0.000 -0.817) 4.725 9.103 ( 4.654 0.000 -0.817) 4.725 9.127 ( -7.097 0.000 5.009) 8.686 9.127 ( 7.097 0.000 5.009) 8.686 9.877 ( -8.378 0.000 -1.540) 8.518 9.877 ( 8.378 0.000 -1.540) 8.518 10.026 ( -10.147 0.000 8.168) 13.026 10.026 ( 10.147 0.000 8.168) 13.026 10.605 ( -12.150 0.000 -4.076) 12.816 10.605 ( 12.150 0.000 -4.076) 12.816 10.689 ( -10.083 0.000 -8.804) 13.386 10.689 ( 10.083 0.000 -8.804) 13.386 10.857 ( -9.017 0.000 -6.690) 11.228 10.857 ( 9.017 0.000 -6.690) 11.228 11.205 ( -2.770 0.000 1.508) 3.154 11.205 ( 2.770 0.000 1.508) 3.154 11.530 ( -0.799 0.000 -5.030) 5.094 11.530 ( 0.799 0.000 -5.030) 5.094 12.681 ( -4.091 0.000 11.177) 11.902 12.681 ( 4.091 0.000 11.177) 11.902 12.803 ( -3.230 0.000 0.502) 3.269 12.803 ( 3.230 0.000 0.502) 3.269 13.170 ( -9.056 0.000 -2.160) 9.310 13.170 ( 9.056 0.000 -2.160) 9.310 13.558 ( -7.236 0.000 7.172) 10.188 13.558 ( 7.236 0.000 7.172) 10.188 13.917 ( -5.178 0.000 -0.674) 5.222 13.917 ( 5.178 0.000 -0.674) 5.222 14.441 ( -9.823 0.000 -16.275) 19.010 14.441 ( 9.823 0.000 -16.275) 19.010 14.730 ( -1.832 0.000 0.305) 1.858 14.730 ( 1.832 0.000 0.305) 1.858 15.651 ( -7.084 0.000 5.305) 8.851 15.651 ( 7.084 0.000 5.305) 8.851 16.521 ( -2.269 0.000 -6.776) 7.145 16.521 ( 2.269 0.000 -6.776) 7.145 17.015 ( -2.788 0.000 2.184) 3.541 17.015 ( 2.788 0.000 2.184) 3.541 17.447 ( -4.477 0.000 2.239) 5.006 17.447 ( 4.477 0.000 2.239) 5.006 17.957 ( -2.063 0.000 5.887) 6.238 17.957 ( 2.063 0.000 5.887) 6.238 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 0.000 5.561 25.856) 26.447 1.335 ( 0.000 21.744 18.568) 28.593 2.038 ( 0.000 6.724 11.852) 13.626 2.093 ( 0.000 7.568 7.428) 10.604 2.094 ( 0.000 12.515 2.422) 12.748 2.153 ( 0.000 17.043 31.941) 36.204 2.207 ( 0.000 -0.629 4.704) 4.746 2.268 ( 0.000 2.008 -2.252) 3.018 2.371 ( 0.000 8.215 -0.364) 8.223 2.473 ( 0.000 2.862 -5.877) 6.537 2.547 ( 0.000 -1.640 -1.732) 2.386 2.757 ( 0.000 -6.351 -6.759) 9.275 2.788 ( 0.000 0.139 -4.593) 4.595 2.828 ( 0.000 -2.707 -10.225) 10.577 2.868 ( 0.000 0.894 -2.760) 2.901 2.957 ( 0.000 6.649 -0.246) 6.654 3.006 ( 0.000 2.185 0.611) 2.269 3.134 ( 0.000 -0.112 2.248) 2.250 3.206 ( 0.000 0.624 -4.702) 4.743 3.246 ( 0.000 3.938 -6.053) 7.221 3.341 ( 0.000 0.656 -2.386) 2.475 3.614 ( 0.000 5.049 -0.464) 5.071 3.737 ( 0.000 3.499 1.652) 3.869 3.837 ( 0.000 8.180 3.860) 9.045 3.899 ( 0.000 7.742 4.908) 9.167 3.951 ( 0.000 -1.141 -2.792) 3.016 3.968 ( 0.000 1.311 5.461) 5.616 4.115 ( 0.000 -2.900 -0.431) 2.932 4.142 ( 0.000 12.543 -1.256) 12.605 4.191 ( 0.000 -4.454 -4.015) 5.996 4.206 ( 0.000 13.834 2.400) 14.041 4.469 ( 0.000 14.445 -5.935) 15.616 4.515 ( 0.000 -4.562 -1.766) 4.892 4.526 ( 0.000 1.114 5.273) 5.390 4.589 ( 0.000 4.221 2.699) 5.010 4.750 ( 0.000 2.281 -1.914) 2.978 4.751 ( 0.000 1.941 4.091) 4.528 4.843 ( 0.000 5.345 0.798) 5.404 5.010 ( 0.000 4.253 -3.805) 5.707 5.084 ( 0.000 4.120 -3.677) 5.522 5.347 ( 0.000 2.018 2.056) 2.881 5.439 ( 0.000 -3.907 -6.071) 7.219 5.477 ( 0.000 7.457 4.788) 8.862 5.636 ( 0.000 1.991 3.535) 4.057 5.733 ( 0.000 5.421 3.236) 6.314 5.741 ( 0.000 7.607 -1.756) 7.807 5.755 ( 0.000 8.050 -5.310) 9.643 6.110 ( 0.000 3.208 -3.842) 5.005 6.505 ( 0.000 20.580 12.829) 24.251 6.753 ( 0.000 -4.719 -0.205) 4.724 6.978 ( 0.000 10.277 3.143) 10.747 6.987 ( 0.000 0.797 -2.178) 2.320 7.115 ( 0.000 1.506 -1.655) 2.238 7.215 ( 0.000 6.081 -1.970) 6.392 7.270 ( 0.000 -2.339 -7.343) 7.707 7.473 ( 0.000 -0.678 -5.617) 5.658 7.657 ( 0.000 0.648 -1.245) 1.404 7.878 ( 0.000 6.936 -10.424) 12.521 7.923 ( 0.000 3.643 6.927) 7.826 8.097 ( 0.000 12.574 -5.507) 13.727 8.134 ( 0.000 0.148 4.290) 4.293 8.232 ( 0.000 4.009 4.932) 6.356 8.640 ( 0.000 -1.373 8.467) 8.578 8.729 ( 0.000 5.010 -10.200) 11.364 8.809 ( 0.000 1.427 5.549) 5.729 8.964 ( 0.000 9.436 5.603) 10.974 9.062 ( 0.000 2.906 -4.750) 5.568 9.211 ( 0.000 14.655 -1.414) 14.724 9.353 ( 0.000 11.960 -0.250) 11.963 9.413 ( 0.000 13.510 -7.391) 15.399 9.854 ( 0.000 -6.925 -2.670) 7.422 10.022 ( 0.000 5.816 -4.454) 7.325 10.225 ( 0.000 8.071 -2.232) 8.374 10.286 ( 0.000 4.122 -0.282) 4.132 10.336 ( 0.000 2.812 2.041) 3.474 10.588 ( 0.000 6.706 -0.554) 6.729 10.627 ( 0.000 -2.789 12.943) 13.240 10.744 ( 0.000 8.884 9.080) 12.704 10.882 ( 0.000 -5.197 -7.972) 9.517 11.141 ( 0.000 6.418 -10.876) 12.628 11.292 ( 0.000 9.982 -3.971) 10.742 11.436 ( 0.000 12.421 -2.487) 12.668 11.524 ( 0.000 2.824 -4.652) 5.443 11.543 ( 0.000 0.560 -9.066) 9.083 12.491 ( 0.000 -0.953 4.767) 4.861 12.555 ( 0.000 -3.290 7.321) 8.026 12.759 ( 0.000 1.217 9.618) 9.695 12.825 ( 0.000 0.866 -1.618) 1.835 13.054 ( 0.000 6.071 2.963) 6.755 13.250 ( 0.000 -6.902 -0.007) 6.902 13.350 ( 0.000 -2.019 3.947) 4.433 13.702 ( 0.000 -7.478 2.169) 7.787 13.752 ( 0.000 -4.257 1.216) 4.427 14.136 ( 0.000 2.005 -5.657) 6.002 14.156 ( 0.000 8.958 3.046) 9.462 14.684 ( 0.000 3.649 -16.801) 17.193 14.785 ( 0.000 -1.341 -0.861) 1.594 14.799 ( 0.000 -0.798 -12.585) 12.610 15.406 ( 0.000 -3.901 10.861) 11.540 15.896 ( 0.000 1.399 3.784) 4.034 16.226 ( 0.000 -6.525 -9.321) 11.378 16.446 ( 0.000 -3.910 -5.826) 7.016 17.017 ( 0.000 -0.838 7.524) 7.570 17.103 ( 0.000 -7.451 -1.854) 7.678 17.213 ( 0.000 -7.268 2.870) 7.814 17.554 ( 0.000 -4.401 -1.331) 4.598 17.858 ( 0.000 -2.587 6.899) 7.368 17.960 ( 0.000 -4.762 5.074) 6.958 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 5.195 7.782 22.936) 24.772 1.449 ( 7.171 22.630 16.331) 28.814 1.832 ( -12.368 17.071 9.087) 22.955 1.924 ( -14.457 5.898 10.498) 18.815 2.166 ( 2.614 1.091 3.856) 4.785 2.194 ( -0.373 -1.048 4.159) 4.305 2.323 ( 2.571 3.248 -4.483) 6.104 2.363 ( 4.641 12.983 0.740) 13.807 2.408 ( 9.621 4.591 12.566) 16.479 2.476 ( -0.574 -1.405 -3.390) 3.714 2.571 ( 3.815 4.066 -2.423) 6.079 2.689 ( -1.833 1.434 -1.547) 2.794 2.714 ( -0.273 -2.353 -3.084) 3.888 2.841 ( -0.433 -0.353 -1.736) 1.824 2.892 ( -4.802 5.843 1.204) 7.658 2.963 ( 6.597 -2.203 1.022) 7.030 3.011 ( -1.206 1.370 -1.414) 2.309 3.133 ( -0.183 3.194 -2.614) 4.132 3.228 ( -1.565 5.018 -5.901) 7.903 3.325 ( 8.100 -0.362 0.395) 8.118 3.405 ( 6.122 0.035 -3.392) 6.999 3.637 ( 0.713 8.078 3.821) 8.965 3.658 ( -7.409 -3.586 2.054) 8.484 3.795 ( -6.203 7.183 3.621) 10.158 3.849 ( -5.376 0.795 2.140) 5.841 3.921 ( 1.698 8.915 0.408) 9.084 3.943 ( -8.768 6.552 10.255) 14.999 4.089 ( 0.111 -1.538 0.127) 1.547 4.113 ( -1.768 -0.234 1.791) 2.528 4.169 ( 2.548 3.095 -4.248) 5.840 4.275 ( -0.454 16.155 3.304) 16.496 4.312 ( -3.342 12.460 0.983) 12.938 4.410 ( -2.998 0.157 -5.783) 6.516 4.518 ( -4.889 -1.879 -0.256) 5.244 4.597 ( 4.246 4.408 -2.950) 6.795 4.769 ( -1.923 7.555 -4.204) 8.857 4.845 ( 5.936 0.510 0.107) 5.959 4.965 ( 1.672 0.868 -5.060) 5.399 5.069 ( 6.759 4.416 -0.731) 8.106 5.125 ( 4.255 1.734 -3.447) 5.744 5.325 ( -0.324 0.242 0.860) 0.950 5.412 ( -1.855 -0.953 1.028) 2.325 5.506 ( 1.960 7.867 2.657) 8.532 5.588 ( -2.677 6.178 1.565) 6.913 5.718 ( -0.458 6.865 0.416) 6.892 5.750 ( -0.348 4.830 0.917) 4.929 5.847 ( 6.492 3.702 -3.261) 8.154 6.071 ( -3.576 3.127 -2.271) 5.265 6.567 ( 5.320 17.936 6.813) 19.910 6.732 ( -1.893 4.497 0.081) 4.880 6.940 ( 0.832 1.161 -0.925) 1.702 7.067 ( -1.897 1.925 -0.071) 2.704 7.156 ( 8.087 3.934 -0.819) 9.030 7.227 ( 1.758 4.731 -2.874) 5.808 7.266 ( -0.476 -2.318 -7.083) 7.468 7.450 ( -1.968 1.003 -3.629) 4.248 7.712 ( 2.796 0.485 -1.062) 3.030 7.744 ( -7.624 3.116 -2.088) 8.497 7.855 ( -5.215 5.293 5.522) 9.258 8.063 ( -3.671 7.517 2.019) 8.606 8.122 ( -2.161 4.517 -0.274) 5.015 8.153 ( -5.828 4.663 0.187) 7.466 8.700 ( 3.113 4.792 -8.644) 10.363 8.779 ( 7.770 2.464 3.643) 8.928 8.913 ( 6.227 -2.312 6.045) 8.981 9.006 ( 3.811 7.675 -1.553) 8.709 9.087 ( 1.254 5.683 2.131) 6.198 9.200 ( -0.684 13.633 -0.794) 13.674 9.324 ( -3.592 11.848 -1.033) 12.424 9.356 ( -4.167 15.035 -2.442) 15.792 9.835 ( 0.341 1.585 0.441) 1.680 9.996 ( -1.132 6.196 -2.622) 6.822 10.091 ( -8.351 3.677 1.406) 9.232 10.370 ( 6.267 2.228 0.953) 6.720 10.440 ( -10.627 11.330 7.042) 17.056 10.500 ( 10.227 3.843 -3.566) 11.492 10.637 ( 3.529 2.975 -3.721) 5.929 10.824 ( -2.361 -7.300 -8.309) 11.309 10.856 ( 2.289 7.677 4.454) 9.166 11.068 ( -6.281 4.676 -9.479) 12.295 11.296 ( -0.031 11.281 -3.245) 11.738 11.374 ( -4.400 9.776 -2.001) 10.906 11.535 ( 0.715 2.742 -4.691) 5.481 11.551 ( 0.450 2.040 -6.729) 7.046 12.520 ( 2.592 -5.681 6.075) 8.712 12.647 ( 6.388 -2.608 4.430) 8.200 12.706 ( -2.766 -3.754 9.331) 10.431 12.860 ( -0.071 1.165 5.138) 5.269 13.074 ( 3.819 5.245 -2.695) 7.025 13.265 ( -0.833 -2.586 -2.640) 3.788 13.371 ( 3.332 -5.130 5.800) 8.430 13.632 ( -6.714 -6.507 3.094) 9.848 13.775 ( 3.614 -4.121 0.896) 5.554 14.019 ( -6.323 0.433 -2.859) 6.953 14.318 ( 9.573 7.051 -3.060) 12.277 14.661 ( -3.580 5.662 -18.370) 19.553 14.731 ( -3.536 -1.116 -6.529) 7.508 14.765 ( -2.130 -1.471 0.883) 2.735 15.485 ( 6.726 -2.827 7.509) 10.470 15.796 ( -7.373 0.443 2.961) 7.957 16.338 ( 7.588 -6.947 -7.981) 13.020 16.463 ( 1.065 -4.929 -6.178) 7.975 16.983 ( -1.932 -2.664 5.456) 6.371 17.055 ( -3.737 -5.049 -1.532) 6.465 17.289 ( 5.473 -6.210 3.164) 8.862 17.498 ( -4.465 -3.812 1.599) 6.084 17.881 ( 1.783 -3.167 6.376) 7.339 17.948 ( -1.147 -4.448 5.640) 7.274 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -16.480 8.368 13.814) 23.075 1.539 ( 16.480 8.368 13.814) 23.075 1.631 ( -10.878 20.593 13.291) 26.815 1.631 ( 10.878 20.593 13.291) 26.815 2.195 ( -0.148 -1.395 2.459) 2.831 2.195 ( 0.148 -1.395 2.459) 2.831 2.353 ( -1.320 3.285 -7.021) 7.863 2.353 ( 1.320 3.285 -7.021) 7.863 2.473 ( -1.212 0.603 -6.258) 6.403 2.473 ( 1.212 0.603 -6.258) 6.403 2.712 ( -2.640 1.533 2.198) 3.762 2.712 ( 2.640 1.533 2.198) 3.762 2.767 ( -5.592 6.667 2.680) 9.104 2.767 ( 5.592 6.667 2.680) 9.104 2.907 ( -7.608 -0.413 2.320) 7.964 2.907 ( 7.608 -0.413 2.320) 7.964 3.139 ( -3.994 2.276 -3.087) 5.537 3.139 ( 3.994 2.276 -3.087) 5.537 3.283 ( -13.997 3.291 12.141) 18.819 3.283 ( 13.997 3.291 12.141) 18.819 3.498 ( -1.720 -1.793 -2.599) 3.596 3.498 ( 1.720 -1.793 -2.599) 3.596 3.674 ( -4.526 4.252 3.494) 7.126 3.674 ( 4.526 4.252 3.494) 7.126 3.796 ( -1.848 6.974 3.981) 8.240 3.796 ( 1.848 6.974 3.981) 8.240 4.012 ( -4.614 5.024 -1.292) 6.942 4.012 ( 4.614 5.024 -1.292) 6.942 4.171 ( -3.499 4.559 0.627) 5.781 4.171 ( 3.499 4.559 0.627) 5.781 4.280 ( -3.024 10.349 0.974) 10.826 4.280 ( 3.024 10.349 0.974) 10.826 4.423 ( -3.719 -2.688 -2.774) 5.362 4.423 ( 3.719 -2.688 -2.774) 5.362 4.694 ( -4.829 7.439 -4.062) 9.755 4.694 ( 4.829 7.439 -4.062) 9.755 4.940 ( -3.104 1.274 -2.620) 4.257 4.940 ( 3.104 1.274 -2.620) 4.257 5.156 ( -2.381 2.246 -6.235) 7.042 5.156 ( 2.381 2.246 -6.235) 7.042 5.367 ( -2.827 -1.264 1.893) 3.629 5.367 ( 2.827 -1.264 1.893) 3.629 5.548 ( -1.829 8.037 3.416) 8.922 5.548 ( 1.829 8.037 3.416) 8.922 5.725 ( -1.336 5.785 0.613) 5.969 5.725 ( 1.336 5.785 0.613) 5.969 5.975 ( -5.732 2.406 -1.807) 6.474 5.975 ( 5.732 2.406 -1.807) 6.474 6.673 ( -4.239 12.566 0.297) 13.265 6.673 ( 4.239 12.566 0.297) 13.265 6.996 ( -3.918 2.281 0.308) 4.544 6.996 ( 3.918 2.281 0.308) 4.544 7.243 ( -1.752 -1.786 -6.656) 7.110 7.243 ( 1.752 -1.786 -6.656) 7.110 7.363 ( -7.764 3.419 -4.745) 9.721 7.363 ( 7.764 3.419 -4.745) 9.721 7.667 ( -3.960 3.578 8.991) 10.455 7.667 ( 3.960 3.578 8.991) 10.455 7.921 ( -8.626 4.400 3.059) 10.155 7.921 ( 8.626 4.400 3.059) 10.155 8.090 ( -0.314 4.264 -4.060) 5.897 8.090 ( 0.314 4.264 -4.060) 5.897 8.803 ( -4.755 4.387 -7.324) 9.772 8.803 ( 4.755 4.387 -7.324) 9.772 9.038 ( -4.962 -1.449 6.621) 8.400 9.038 ( 4.962 -1.449 6.621) 8.400 9.145 ( -6.166 12.016 1.184) 13.558 9.145 ( 6.166 12.016 1.184) 13.558 9.284 ( -2.484 15.824 -0.137) 16.019 9.284 ( 2.484 15.824 -0.137) 16.019 9.889 ( -6.137 3.343 -1.782) 7.212 9.889 ( 6.137 3.343 -1.782) 7.212 10.156 ( -12.207 11.562 8.011) 18.624 10.156 ( 12.207 11.562 8.011) 18.624 10.556 ( -7.967 -1.851 -5.839) 10.050 10.556 ( 7.967 -1.851 -5.839) 10.050 10.756 ( -7.245 2.432 -7.232) 10.522 10.756 ( 7.245 2.432 -7.232) 10.522 10.912 ( -7.356 7.041 -4.741) 11.233 10.912 ( 7.356 7.041 -4.741) 11.233 11.309 ( -1.842 9.752 -0.962) 9.971 11.309 ( 1.842 9.752 -0.962) 9.971 11.550 ( -0.533 2.372 -5.033) 5.589 11.550 ( 0.533 2.372 -5.033) 5.589 12.599 ( -4.947 -6.580 7.411) 11.077 12.599 ( 4.947 -6.580 7.411) 11.077 12.798 ( -5.483 -2.001 6.542) 8.767 12.798 ( 5.483 -2.001 6.542) 8.767 13.190 ( -5.855 1.817 -4.374) 7.531 13.190 ( 5.855 1.817 -4.374) 7.531 13.485 ( -7.063 -6.551 4.892) 10.804 13.485 ( 7.063 -6.551 4.892) 10.804 13.884 ( -6.580 -2.918 -1.613) 7.377 13.884 ( 6.580 -2.918 -1.613) 7.377 14.513 ( -9.228 6.122 -10.135) 15.012 14.513 ( 9.228 6.122 -10.135) 15.012 14.723 ( -1.543 -0.481 -2.137) 2.679 14.723 ( 1.543 -0.481 -2.137) 2.679 15.639 ( -7.903 -1.034 4.015) 8.924 15.639 ( 7.903 -1.034 4.015) 8.924 16.452 ( -2.968 -6.886 -6.797) 10.121 16.452 ( 2.968 -6.886 -6.797) 10.121 16.984 ( -2.312 -3.340 1.345) 4.279 16.984 ( 2.312 -3.340 1.345) 4.279 17.399 ( -5.172 -4.406 3.277) 7.544 17.399 ( 5.172 -4.406 3.277) 7.544 17.918 ( -1.727 -3.870 6.264) 7.563 17.918 ( 1.727 -3.870 6.264) 7.563 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 0.000 9.907 20.835) 23.070 1.666 ( 0.000 13.193 18.190) 22.471 2.072 ( 0.000 0.163 9.909) 9.911 2.178 ( 0.000 -0.058 1.519) 1.520 2.197 ( 0.000 -0.173 3.855) 3.858 2.236 ( 0.000 3.787 0.571) 3.830 2.344 ( 0.000 4.271 -0.116) 4.273 2.488 ( 0.000 -0.662 0.048) 0.664 2.567 ( 0.000 9.396 -3.853) 10.156 2.606 ( 0.000 -4.380 -1.047) 4.504 2.642 ( 0.000 13.270 11.427) 17.512 2.686 ( 0.000 12.362 -0.448) 12.370 2.800 ( 0.000 4.030 -1.097) 4.177 2.815 ( 0.000 0.704 -8.004) 8.034 2.900 ( 0.000 6.513 -2.515) 6.981 3.030 ( 0.000 1.740 1.522) 2.311 3.056 ( 0.000 6.628 4.515) 8.019 3.169 ( 0.000 2.029 -0.230) 2.042 3.281 ( 0.000 7.595 -2.729) 8.070 3.323 ( 0.000 2.359 -1.658) 2.883 3.384 ( 0.000 3.849 -1.184) 4.027 3.479 ( 0.000 -12.670 -0.047) 12.670 3.735 ( 0.000 -4.257 2.651) 5.015 3.800 ( 0.000 -7.647 -1.140) 7.731 3.949 ( 0.000 -2.116 -2.064) 2.956 3.953 ( 0.000 1.120 -1.160) 1.612 3.995 ( 0.000 -6.837 -1.347) 6.968 4.153 ( 0.000 4.325 -0.315) 4.336 4.239 ( 0.000 13.126 1.576) 13.221 4.336 ( 0.000 4.188 7.954) 8.989 4.392 ( 0.000 -4.472 -2.404) 5.077 4.584 ( 0.000 4.294 1.038) 4.417 4.633 ( 0.000 0.478 -1.422) 1.500 4.652 ( 0.000 24.736 4.681) 25.175 4.706 ( 0.000 0.826 6.008) 6.065 4.797 ( 0.000 10.934 -5.022) 12.032 4.899 ( 0.000 7.076 -0.549) 7.097 4.985 ( 0.000 7.906 -3.446) 8.624 5.173 ( 0.000 7.975 -2.662) 8.408 5.244 ( 0.000 10.954 -4.270) 11.757 5.403 ( 0.000 4.281 4.103) 5.930 5.438 ( 0.000 6.363 -1.180) 6.472 5.643 ( 0.000 -2.136 7.049) 7.366 5.715 ( 0.000 17.580 7.049) 18.941 5.856 ( 0.000 9.562 0.973) 9.611 5.930 ( 0.000 13.374 0.739) 13.394 5.950 ( 0.000 7.400 -4.906) 8.878 6.152 ( 0.000 3.844 -6.045) 7.163 6.673 ( 0.000 -3.037 -1.897) 3.581 6.957 ( 0.000 -2.545 -2.804) 3.787 7.014 ( 0.000 22.665 -2.201) 22.771 7.059 ( 0.000 -0.051 -5.939) 5.940 7.192 ( 0.000 4.729 -2.300) 5.259 7.207 ( 0.000 -2.386 -7.876) 8.229 7.448 ( 0.000 11.552 -1.510) 11.650 7.450 ( 0.000 -1.711 -0.808) 1.893 7.755 ( 0.000 12.478 6.015) 13.852 7.987 ( 0.000 3.129 2.340) 3.907 8.034 ( 0.000 9.634 -7.139) 11.990 8.193 ( 0.000 6.615 -0.000) 6.615 8.315 ( 0.000 7.846 0.294) 7.851 8.483 ( 0.000 21.102 4.430) 21.562 8.630 ( 0.000 0.960 9.194) 9.244 8.797 ( 0.000 -1.079 4.352) 4.484 8.836 ( 0.000 5.366 -7.576) 9.284 9.021 ( 0.000 -5.103 -8.740) 10.121 9.178 ( 0.000 9.548 5.659) 11.099 9.535 ( 0.000 7.406 -5.863) 9.446 9.624 ( 0.000 15.973 3.152) 16.281 9.709 ( 0.000 13.309 -4.401) 14.017 9.900 ( 0.000 18.750 1.589) 18.818 10.196 ( 0.000 10.389 -1.148) 10.453 10.302 ( 0.000 -3.517 10.235) 10.822 10.305 ( 0.000 1.653 2.045) 2.630 10.501 ( 0.000 12.329 2.291) 12.540 10.716 ( 0.000 16.112 2.557) 16.314 10.791 ( 0.000 13.039 -6.839) 14.724 10.888 ( 0.000 6.436 0.040) 6.436 10.964 ( 0.000 12.888 10.301) 16.499 11.329 ( 0.000 11.768 -12.764) 17.361 11.510 ( 0.000 11.214 -4.585) 12.115 11.578 ( 0.000 4.607 -7.735) 9.003 11.596 ( 0.000 4.245 -4.332) 6.065 11.717 ( 0.000 16.019 -5.302) 16.874 12.470 ( 0.000 -5.085 5.695) 7.635 12.518 ( 0.000 2.738 0.089) 2.740 12.751 ( 0.000 -1.674 8.430) 8.595 12.822 ( 0.000 -3.210 4.887) 5.847 13.061 ( 0.000 -5.608 1.305) 5.758 13.090 ( 0.000 -7.192 -3.510) 8.003 13.273 ( 0.000 -6.972 4.672) 8.393 13.526 ( 0.000 -10.466 0.028) 10.466 13.732 ( 0.000 2.910 -7.245) 7.808 14.153 ( 0.000 -0.014 -11.002) 11.002 14.346 ( 0.000 9.535 8.680) 12.894 14.678 ( 0.000 -5.309 -6.670) 8.525 14.765 ( 0.000 0.072 -2.774) 2.775 14.878 ( 0.000 9.276 -14.767) 17.439 15.310 ( 0.000 -5.092 12.020) 13.054 15.948 ( 0.000 3.750 -4.879) 6.154 16.039 ( 0.000 -12.468 -7.081) 14.339 16.335 ( 0.000 -7.412 -7.176) 10.317 16.880 ( 0.000 -15.006 -2.100) 15.152 16.942 ( 0.000 -9.643 -3.158) 10.147 17.085 ( 0.000 -2.132 13.031) 13.204 17.475 ( 0.000 -3.061 2.051) 3.685 17.785 ( 0.000 -4.809 6.921) 8.428 17.838 ( 0.000 -7.709 6.571) 10.129 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 5.407 11.479 17.922) 21.959 1.803 ( 9.598 12.387 13.489) 20.676 1.995 ( -9.727 5.796 9.562) 14.820 2.114 ( -4.730 2.117 3.281) 6.133 2.178 ( 0.149 1.465 2.509) 2.909 2.216 ( -2.389 5.446 3.213) 6.759 2.343 ( -0.816 -0.588 -1.726) 1.998 2.438 ( -0.679 -0.413 -1.674) 1.853 2.467 ( -10.574 -0.184 -5.745) 12.035 2.568 ( -3.461 0.313 -3.538) 4.959 2.687 ( 6.840 4.206 -0.543) 8.049 2.800 ( 8.275 10.236 8.612) 15.730 2.822 ( 3.998 9.750 1.176) 10.603 2.860 ( 0.874 2.731 -5.105) 5.856 2.921 ( 3.545 0.832 0.291) 3.653 3.010 ( -1.406 4.466 2.081) 5.124 3.075 ( 0.459 12.695 4.356) 13.429 3.220 ( -0.627 4.669 0.719) 4.765 3.266 ( -0.904 -2.169 -1.293) 2.682 3.354 ( 7.533 3.345 -0.281) 8.247 3.397 ( -0.051 -2.866 -1.505) 3.237 3.540 ( 3.985 -3.577 1.332) 5.518 3.672 ( -2.499 -3.159 0.490) 4.058 3.869 ( -2.887 -3.792 -0.554) 4.798 3.878 ( -4.339 1.158 3.138) 5.479 3.909 ( -2.133 0.556 0.340) 2.230 4.010 ( -0.738 -3.420 -1.183) 3.694 4.027 ( -8.702 -1.707 6.898) 11.235 4.137 ( -0.799 -0.824 -0.824) 1.413 4.347 ( -5.668 0.069 -3.262) 6.540 4.374 ( 1.882 11.382 -1.545) 11.640 4.483 ( -4.341 2.960 1.131) 5.375 4.674 ( 2.257 21.392 3.730) 21.832 4.697 ( 4.259 11.238 1.494) 12.111 4.795 ( 2.442 11.203 -0.754) 11.491 4.871 ( 5.739 3.146 -1.472) 6.708 4.903 ( -0.578 6.066 -0.986) 6.173 4.998 ( 1.290 3.458 -5.014) 6.226 5.183 ( 1.413 5.215 -1.893) 5.725 5.250 ( 0.236 8.749 -5.056) 10.108 5.363 ( -0.900 4.889 3.369) 6.005 5.439 ( -1.745 5.046 3.792) 6.548 5.692 ( 2.942 3.543 4.788) 6.644 5.750 ( 3.537 16.150 4.741) 17.199 5.831 ( -1.722 6.358 1.826) 6.836 5.923 ( -1.426 12.974 -2.306) 13.254 5.958 ( 1.806 6.631 -1.392) 7.012 6.122 ( -3.211 4.850 -3.260) 6.668 6.702 ( 3.443 -1.314 -4.885) 6.120 6.888 ( -4.144 1.494 -3.347) 5.533 7.091 ( 2.941 4.432 -4.527) 6.984 7.115 ( 4.935 11.956 -5.446) 14.034 7.193 ( -0.138 -1.275 -6.497) 6.622 7.221 ( 1.729 1.466 -3.226) 3.943 7.417 ( -0.585 6.190 -2.521) 6.710 7.480 ( 0.398 4.235 -0.265) 4.262 7.794 ( 1.390 11.118 3.982) 11.892 7.825 ( -8.269 5.866 2.075) 10.349 7.983 ( -4.362 7.497 -1.195) 8.756 8.154 ( 0.796 7.338 5.288) 9.079 8.284 ( -6.687 8.200 -0.648) 10.601 8.412 ( -6.768 19.004 4.307) 20.628 8.772 ( 8.032 2.196 -5.116) 9.773 8.853 ( 6.202 5.251 -1.490) 8.262 8.870 ( 3.449 -1.260 2.540) 4.465 9.032 ( 2.734 -2.634 0.983) 3.921 9.230 ( 2.794 8.121 4.644) 9.764 9.498 ( -3.494 11.776 -1.295) 12.352 9.631 ( 1.457 18.510 2.292) 18.708 9.763 ( 1.774 20.133 -3.527) 20.516 9.953 ( 6.313 13.574 0.419) 14.976 10.132 ( -5.516 6.853 -1.557) 8.933 10.256 ( -1.492 11.859 1.884) 12.100 10.461 ( 10.711 4.584 2.634) 11.945 10.568 ( 6.968 4.689 2.518) 8.769 10.661 ( -3.671 8.280 2.251) 9.333 10.728 ( -11.624 8.518 -1.166) 14.458 10.827 ( 2.953 11.460 -8.536) 14.591 11.036 ( -0.430 10.384 2.062) 10.595 11.229 ( -4.850 11.746 -4.366) 13.437 11.520 ( -1.320 6.405 -7.913) 10.266 11.562 ( -0.655 11.839 -2.385) 12.094 11.617 ( 2.033 7.491 -5.544) 9.539 11.697 ( -1.525 13.584 -5.063) 14.577 12.428 ( -1.210 -4.087 4.216) 5.996 12.603 ( 4.689 -2.883 5.670) 7.902 12.610 ( -7.795 -4.733 3.963) 9.943 12.823 ( -3.682 -6.102 8.055) 10.755 13.091 ( 4.186 -3.736 -1.976) 5.948 13.187 ( 6.520 -4.417 -2.837) 8.371 13.252 ( -1.433 -7.878 4.750) 9.310 13.495 ( -4.007 -8.235 -1.234) 9.241 13.731 ( 1.661 1.534 -5.222) 5.691 14.015 ( -9.660 -0.569 -6.516) 11.666 14.463 ( 7.815 6.794 3.541) 10.944 14.670 ( -0.988 -4.950 -5.561) 7.511 14.755 ( -0.805 1.244 -2.464) 2.875 14.813 ( -4.700 9.118 -9.655) 14.088 15.423 ( 9.240 -2.648 6.045) 11.355 15.812 ( -8.634 0.652 -3.572) 9.367 16.157 ( 6.576 -10.635 -6.483) 14.085 16.323 ( -1.449 -9.211 -6.812) 11.548 16.857 ( -0.760 -10.866 -0.593) 10.909 16.921 ( -2.002 -9.196 -3.645) 10.092 17.169 ( 6.692 -3.875 9.719) 12.420 17.426 ( -4.428 -2.950 3.846) 6.565 17.795 ( 0.815 -5.533 6.915) 8.894 17.831 ( -0.654 -7.417 6.801) 10.085 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( -15.259 10.045 11.090) 21.371 1.706 ( 15.259 10.045 11.090) 21.371 1.990 ( -8.047 11.886 8.361) 16.611 1.990 ( 8.047 11.886 8.361) 16.611 2.188 ( -0.708 1.269 2.987) 3.322 2.188 ( 0.708 1.269 2.987) 3.322 2.334 ( -2.035 -2.896 -5.038) 6.157 2.334 ( 2.035 -2.896 -5.038) 6.157 2.484 ( -3.985 -0.162 -2.850) 4.902 2.484 ( 3.985 -0.162 -2.850) 4.902 2.812 ( -3.917 3.444 -1.292) 5.373 2.812 ( 3.917 3.444 -1.292) 5.373 2.873 ( -0.388 3.309 -1.830) 3.801 2.873 ( 0.388 3.309 -1.830) 3.801 3.008 ( -2.256 10.574 1.935) 10.983 3.008 ( 2.256 10.574 1.935) 10.983 3.144 ( -8.774 0.724 4.515) 9.894 3.144 ( 8.774 0.724 4.515) 9.894 3.323 ( -6.950 -1.275 3.811) 8.028 3.323 ( 6.950 -1.275 3.811) 8.028 3.529 ( -8.440 7.209 4.714) 12.059 3.529 ( 8.440 7.209 4.714) 12.059 3.668 ( -6.384 -1.417 0.848) 6.594 3.668 ( 6.384 -1.417 0.848) 6.594 3.882 ( -5.323 -0.129 1.544) 5.544 3.882 ( 5.323 -0.129 1.544) 5.544 3.981 ( -3.653 -4.544 -0.805) 5.886 3.981 ( 3.653 -4.544 -0.805) 5.886 4.202 ( -6.748 -5.042 -1.979) 8.653 4.202 ( 6.748 -5.042 -1.979) 8.653 4.423 ( -2.685 11.160 -0.928) 11.517 4.423 ( 2.685 11.160 -0.928) 11.517 4.723 ( -1.500 19.144 2.038) 19.310 4.723 ( 1.500 19.144 2.038) 19.310 4.847 ( -3.463 7.775 -2.245) 8.802 4.847 ( 3.463 7.775 -2.245) 8.802 4.979 ( -3.910 2.820 -2.671) 5.511 4.979 ( 3.910 2.820 -2.671) 5.511 5.232 ( -2.264 3.590 -4.249) 6.006 5.232 ( 2.264 3.590 -4.249) 6.006 5.387 ( -2.665 4.634 4.788) 7.176 5.387 ( 2.665 4.634 4.788) 7.176 5.747 ( -2.774 12.133 3.718) 12.990 5.747 ( 2.774 12.133 3.718) 12.990 5.869 ( -3.722 6.490 -0.419) 7.493 5.869 ( 3.722 6.490 -0.419) 7.493 6.031 ( -4.920 6.992 -0.670) 8.576 6.031 ( 4.920 6.992 -0.670) 8.576 6.797 ( -4.976 0.585 -5.387) 7.356 6.797 ( 4.976 0.585 -5.387) 7.356 7.137 ( -1.839 3.770 -7.600) 8.681 7.137 ( 1.839 3.770 -7.600) 8.681 7.228 ( -2.006 2.925 -3.694) 5.121 7.228 ( 2.006 2.925 -3.694) 5.121 7.446 ( -2.998 4.886 -3.473) 6.702 7.446 ( 2.998 4.886 -3.473) 6.702 7.752 ( -2.205 6.460 6.294) 9.285 7.752 ( 2.205 6.460 6.294) 9.285 8.069 ( -9.739 10.194 1.960) 14.234 8.069 ( 9.739 10.194 1.960) 14.234 8.256 ( -6.741 13.156 3.208) 15.126 8.256 ( 6.741 13.156 3.208) 15.126 8.887 ( -1.374 2.088 -4.918) 5.517 8.887 ( 1.374 2.088 -4.918) 5.517 8.993 ( -8.515 0.146 2.234) 8.804 8.993 ( 8.515 0.146 2.234) 8.804 9.376 ( -9.233 10.296 4.651) 14.591 9.376 ( 9.233 10.296 4.651) 14.591 9.702 ( -5.429 22.720 2.419) 23.484 9.702 ( 5.429 22.720 2.419) 23.484 10.048 ( -2.914 12.712 -4.349) 13.748 10.048 ( 2.914 12.712 -4.349) 13.748 10.413 ( -15.496 12.145 2.464) 19.842 10.413 ( 15.496 12.145 2.464) 19.842 10.590 ( -3.784 6.981 -0.161) 7.942 10.590 ( 3.784 6.981 -0.161) 7.942 10.786 ( -8.995 2.244 -8.219) 12.390 10.786 ( 8.995 2.244 -8.219) 12.390 11.092 ( -9.178 10.411 -1.530) 13.963 11.092 ( 9.178 10.411 -1.530) 13.963 11.532 ( -2.262 10.866 -2.354) 11.345 11.532 ( 2.262 10.866 -2.354) 11.345 11.660 ( -2.064 11.029 -5.378) 12.443 11.660 ( 2.064 11.029 -5.378) 12.443 12.462 ( -4.951 -7.093 5.792) 10.410 12.462 ( 4.951 -7.093 5.792) 10.410 12.719 ( -5.726 -5.620 5.804) 9.902 12.719 ( 5.726 -5.620 5.804) 9.902 13.177 ( -3.836 -5.960 -0.228) 7.092 13.177 ( 3.836 -5.960 -0.228) 7.092 13.363 ( -8.068 -4.365 -1.183) 9.249 13.363 ( 8.068 -4.365 -1.183) 9.249 13.830 ( -7.656 -1.433 -4.583) 9.038 13.830 ( 7.656 -1.433 -4.583) 9.038 14.608 ( -5.692 1.053 -0.560) 5.816 14.608 ( 5.692 1.053 -0.560) 5.816 14.749 ( -0.929 5.212 -5.285) 7.481 14.749 ( 0.929 5.212 -5.285) 7.481 15.624 ( -9.849 -0.136 0.126) 9.850 15.624 ( 9.849 -0.136 0.126) 9.850 16.267 ( -4.151 -11.464 -6.145) 13.653 16.267 ( 4.151 -11.464 -6.145) 13.653 16.873 ( -2.119 -8.392 -2.334) 8.965 16.873 ( 2.119 -8.392 -2.334) 8.965 17.311 ( -6.660 -3.633 6.555) 10.026 17.311 ( 6.660 -3.633 6.555) 10.026 17.814 ( -0.964 -6.641 7.056) 9.737 17.814 ( 0.964 -6.641 7.056) 9.737 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 0.000 11.558 13.996) 18.151 1.903 ( 0.000 11.405 13.667) 17.801 2.056 ( 0.000 -1.679 6.348) 6.567 2.179 ( 0.000 0.121 2.646) 2.649 2.209 ( 0.000 1.982 3.847) 4.328 2.292 ( 0.000 2.490 0.231) 2.500 2.397 ( 0.000 0.388 2.107) 2.142 2.494 ( 0.000 2.293 0.173) 2.299 2.499 ( 0.000 -2.504 -1.882) 3.133 2.597 ( 0.000 -3.641 3.580) 5.106 2.765 ( 0.000 0.253 -0.122) 0.281 2.772 ( 0.000 -4.657 1.799) 4.992 2.786 ( 0.000 1.634 -3.144) 3.543 2.880 ( 0.000 1.270 3.380) 3.611 3.023 ( 0.000 7.093 -6.325) 9.503 3.102 ( 0.000 -2.445 -0.022) 2.446 3.173 ( 0.000 -3.688 -3.121) 4.832 3.230 ( 0.000 -2.121 -0.094) 2.123 3.308 ( 0.000 5.806 2.217) 6.215 3.384 ( 0.000 3.557 1.207) 3.756 3.454 ( 0.000 7.158 -0.508) 7.176 3.595 ( 0.000 7.807 2.455) 8.184 3.605 ( 0.000 -7.087 -2.534) 7.526 3.639 ( 0.000 0.614 -3.993) 4.040 3.875 ( 0.000 -4.969 1.189) 5.109 3.900 ( 0.000 -0.622 1.717) 1.826 3.977 ( 0.000 3.573 0.434) 3.599 4.234 ( 0.000 4.079 -6.654) 7.805 4.315 ( 0.000 0.196 1.438) 1.451 4.447 ( 0.000 8.128 5.334) 9.722 4.455 ( 0.000 6.270 5.231) 8.165 4.583 ( 0.000 -3.441 3.837) 5.154 4.632 ( 0.000 -0.348 -0.980) 1.040 4.788 ( 0.000 7.161 -3.258) 7.868 4.925 ( 0.000 3.470 -3.886) 5.210 4.964 ( 0.000 2.438 -2.832) 3.737 5.032 ( 0.000 11.947 3.427) 12.429 5.120 ( 0.000 2.349 0.078) 2.350 5.293 ( 0.000 7.294 -0.867) 7.346 5.386 ( 0.000 3.908 -0.256) 3.917 5.483 ( 0.000 -0.637 2.438) 2.520 5.562 ( 0.000 -1.769 5.863) 6.124 5.569 ( 0.000 2.383 1.987) 3.103 5.851 ( 0.000 -11.635 -1.224) 11.699 6.097 ( 0.000 17.575 4.351) 18.106 6.190 ( 0.000 23.694 3.678) 23.978 6.309 ( 0.000 21.281 -0.986) 21.304 6.394 ( 0.000 16.669 -2.435) 16.846 6.643 ( 0.000 0.326 -4.433) 4.445 6.912 ( 0.000 -1.871 -2.680) 3.269 7.037 ( 0.000 -1.727 -5.601) 5.861 7.076 ( 0.000 -5.381 -4.864) 7.253 7.264 ( 0.000 2.558 -4.947) 5.569 7.281 ( 0.000 2.289 -11.611) 11.835 7.401 ( 0.000 -3.522 2.006) 4.053 7.527 ( 0.000 -2.890 -2.860) 4.066 8.063 ( 0.000 4.653 -1.614) 4.925 8.064 ( 0.000 11.116 3.106) 11.542 8.312 ( 0.000 13.085 7.513) 15.088 8.375 ( 0.000 14.218 -14.602) 20.381 8.436 ( 0.000 4.010 3.941) 5.622 8.695 ( 0.000 7.436 8.139) 11.024 8.832 ( 0.000 5.330 1.750) 5.610 8.858 ( 0.000 7.525 -0.430) 7.537 8.917 ( 0.000 -0.956 -10.328) 10.372 8.925 ( 0.000 6.057 4.459) 7.521 9.319 ( 0.000 6.282 6.984) 9.394 9.546 ( 0.000 1.497 -4.811) 5.038 9.890 ( 0.000 0.538 2.802) 2.853 9.950 ( 0.000 15.332 9.951) 18.278 10.159 ( 0.000 -7.548 6.878) 10.212 10.266 ( 0.000 8.000 -4.459) 9.159 10.443 ( 0.000 13.368 9.671) 16.500 10.464 ( 0.000 20.533 3.715) 20.866 10.808 ( 0.000 15.687 2.268) 15.850 10.937 ( 0.000 5.651 -8.790) 10.450 11.060 ( 0.000 17.279 -5.486) 18.129 11.221 ( 0.000 13.147 8.824) 15.834 11.275 ( 0.000 24.964 -2.084) 25.051 11.508 ( 0.000 6.320 -12.706) 14.191 11.666 ( 0.000 4.491 -8.937) 10.002 11.695 ( 0.000 7.239 -2.424) 7.634 11.844 ( 0.000 21.043 -1.292) 21.082 12.049 ( 0.000 17.686 -4.600) 18.275 12.374 ( 0.000 -4.129 3.443) 5.376 12.553 ( 0.000 -0.797 -4.095) 4.172 12.632 ( 0.000 -14.359 7.714) 16.300 12.692 ( 0.000 -4.165 1.692) 4.496 12.893 ( 0.000 -9.348 3.407) 9.950 13.043 ( 0.000 0.221 -2.749) 2.758 13.081 ( 0.000 -11.927 7.224) 13.944 13.296 ( 0.000 -12.984 -0.859) 13.013 13.840 ( 0.000 7.354 -9.821) 12.269 14.153 ( 0.000 0.400 -14.628) 14.634 14.467 ( 0.000 1.065 2.254) 2.493 14.517 ( 0.000 -10.680 -6.886) 12.708 14.834 ( 0.000 8.183 1.018) 8.246 15.097 ( 0.000 12.435 -8.044) 14.810 15.260 ( 0.000 1.506 12.074) 12.168 15.752 ( 0.000 -16.428 -2.943) 16.689 16.017 ( 0.000 1.889 -11.479) 11.633 16.158 ( 0.000 -10.717 -7.266) 12.948 16.566 ( 0.000 -15.060 -2.521) 15.270 16.706 ( 0.000 -12.214 -7.075) 14.115 17.116 ( 0.000 4.356 14.373) 15.018 17.442 ( 0.000 -0.198 4.326) 4.330 17.662 ( 0.000 -10.250 8.268) 13.169 17.676 ( 0.000 -6.158 6.943) 9.281 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 5.815 12.609 11.041) 17.739 1.983 ( 5.206 7.117 9.428) 12.909 2.065 ( 1.025 -0.418 6.717) 6.808 2.140 ( -4.685 3.057 3.509) 6.604 2.202 ( 0.987 2.434 3.196) 4.137 2.309 ( -0.053 1.545 1.868) 2.425 2.327 ( -4.262 1.161 0.717) 4.475 2.430 ( -7.182 -0.256 -3.365) 7.935 2.486 ( -1.735 2.403 1.441) 3.296 2.569 ( -6.698 2.546 0.037) 7.166 2.704 ( 7.228 -2.541 3.047) 8.245 2.793 ( 2.342 -6.105 2.801) 7.114 2.820 ( 0.499 -3.462 -0.545) 3.540 2.927 ( 2.442 1.321 0.953) 2.936 3.002 ( -2.370 2.881 -5.490) 6.638 3.099 ( -1.020 -5.674 3.136) 6.563 3.203 ( -1.232 -1.442 0.231) 1.911 3.248 ( -0.676 2.244 -0.300) 2.363 3.292 ( 3.586 3.743 -1.404) 5.370 3.411 ( -1.962 6.949 -1.364) 7.348 3.476 ( 5.983 1.058 0.861) 6.137 3.588 ( 0.322 -0.866 -3.120) 3.254 3.646 ( 4.471 8.899 3.207) 10.462 3.717 ( 3.405 -8.077 -3.819) 9.561 3.837 ( 0.776 -2.360 3.027) 3.916 3.938 ( -0.117 5.815 -0.215) 5.820 3.961 ( -0.549 -3.784 1.433) 4.083 4.107 ( -8.731 2.168 -2.826) 9.429 4.179 ( -11.086 14.447 8.365) 20.040 4.278 ( -8.468 -2.467 -0.398) 8.829 4.510 ( 3.908 4.157 1.651) 5.940 4.681 ( 4.531 10.302 -1.271) 11.326 4.768 ( 4.610 1.873 -1.621) 5.234 4.849 ( 7.720 -0.974 0.382) 7.790 4.943 ( 1.203 3.819 -3.562) 5.360 4.965 ( 0.566 2.530 -1.825) 3.171 5.049 ( 0.891 9.236 3.036) 9.763 5.131 ( 1.721 5.760 -2.141) 6.382 5.235 ( -4.676 2.303 1.168) 5.342 5.361 ( -2.921 4.032 -1.416) 5.177 5.459 ( -0.584 1.480 3.689) 4.018 5.535 ( -2.190 2.083 5.023) 5.862 5.648 ( 5.398 -4.495 1.144) 7.117 5.825 ( -2.508 -9.833 -1.694) 10.288 6.124 ( 2.243 17.357 5.122) 18.236 6.182 ( -0.609 23.077 4.504) 23.520 6.305 ( -0.191 21.254 -0.769) 21.269 6.367 ( -2.422 16.314 -0.318) 16.496 6.689 ( 4.437 0.663 -5.737) 7.283 6.880 ( -2.903 -0.678 -3.056) 4.269 7.059 ( 1.966 -2.337 -5.933) 6.673 7.107 ( 1.738 -5.172 -5.222) 7.552 7.262 ( -0.114 1.740 -5.284) 5.564 7.284 ( 0.030 1.271 -8.166) 8.264 7.407 ( 1.062 -3.813 -1.700) 4.307 7.512 ( -1.723 -3.783 -3.105) 5.188 7.970 ( -5.112 8.421 -0.124) 9.852 8.098 ( 2.273 10.594 1.939) 11.007 8.150 ( -11.828 10.139 -2.304) 15.748 8.375 ( 3.602 11.005 4.768) 12.523 8.452 ( -1.981 10.172 -1.097) 10.421 8.687 ( -3.889 5.841 0.714) 7.053 8.822 ( -1.872 2.367 4.378) 5.317 8.871 ( 2.834 -0.166 -1.096) 3.043 8.986 ( 6.014 11.308 -6.716) 14.462 9.058 ( 10.412 8.214 8.350) 15.672 9.359 ( 4.053 5.394 6.659) 9.480 9.638 ( 0.516 3.086 -4.233) 5.263 9.882 ( 8.151 6.819 6.344) 12.377 10.066 ( 6.713 11.481 -1.689) 13.407 10.223 ( -7.042 9.814 4.262) 12.809 10.285 ( 9.312 -0.525 2.140) 9.570 10.404 ( 6.065 7.734 1.119) 9.892 10.581 ( 6.048 16.052 1.217) 17.197 10.743 ( -4.595 8.453 0.534) 9.636 10.873 ( -8.017 5.305 -2.871) 10.033 10.975 ( -6.905 23.228 0.211) 24.234 11.185 ( 2.392 21.396 -1.505) 21.581 11.231 ( -10.491 8.977 -7.598) 15.761 11.479 ( -1.389 12.135 0.864) 12.245 11.653 ( 2.603 7.703 -6.181) 10.213 11.736 ( 0.612 9.796 -5.284) 11.147 11.894 ( 3.297 17.200 -0.958) 17.539 12.015 ( -2.684 17.674 -1.883) 17.975 12.349 ( -1.868 -3.623 0.785) 4.151 12.474 ( -10.482 -7.896 5.126) 14.089 12.572 ( 1.035 -3.059 -2.271) 3.948 12.653 ( -2.852 -8.358 3.315) 9.433 12.914 ( 1.875 -11.590 3.157) 12.158 13.037 ( -3.461 -13.480 4.749) 14.705 13.150 ( 6.519 -2.960 -2.118) 7.466 13.285 ( -1.065 -13.033 -1.362) 13.147 13.832 ( 0.146 7.703 -8.835) 11.723 14.033 ( -8.668 3.708 -10.230) 13.911 14.515 ( 2.516 -2.819 -3.404) 5.086 14.529 ( 1.003 -9.427 -6.467) 11.475 14.858 ( 2.451 10.001 2.728) 10.652 15.017 ( -4.736 11.708 1.386) 12.705 15.419 ( 11.080 2.526 1.656) 11.484 15.730 ( -2.635 -11.483 -3.936) 12.422 16.018 ( 0.563 -1.987 -8.456) 8.704 16.127 ( -2.974 -9.188 -6.028) 11.384 16.593 ( 2.499 -15.046 -4.325) 15.853 16.694 ( -1.274 -12.784 -7.297) 14.775 17.168 ( 4.759 3.242 12.830) 14.063 17.397 ( -4.225 0.196 5.904) 7.262 17.661 ( 0.056 -9.498 8.336) 12.637 17.674 ( -0.298 -7.042 7.256) 10.116 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -10.984 9.946 5.894) 15.947 1.911 ( 10.984 9.946 5.894) 15.947 2.099 ( -0.865 1.541 5.682) 5.950 2.099 ( 0.865 1.541 5.682) 5.950 2.240 ( -3.434 2.421 3.199) 5.281 2.240 ( 3.434 2.421 3.199) 5.281 2.306 ( -2.023 1.535 -0.297) 2.557 2.306 ( 2.023 1.535 -0.297) 2.557 2.498 ( -2.125 2.022 -0.040) 2.933 2.498 ( 2.125 2.022 -0.040) 2.933 2.786 ( -1.948 -3.324 2.618) 4.658 2.786 ( 1.948 -3.324 2.618) 4.658 2.929 ( -5.453 -2.566 -5.042) 7.858 2.929 ( 5.453 -2.566 -5.042) 7.858 3.006 ( -6.212 -4.593 6.196) 9.904 3.006 ( 6.212 -4.593 6.196) 9.904 3.207 ( -1.945 1.588 0.658) 2.596 3.207 ( 1.945 1.588 0.658) 2.596 3.373 ( -2.350 6.367 -3.219) 7.511 3.373 ( 2.350 6.367 -3.219) 7.511 3.567 ( -3.154 -3.360 0.246) 4.615 3.567 ( 3.154 -3.360 0.246) 4.615 3.751 ( -3.291 0.669 0.603) 3.412 3.751 ( 3.291 0.669 0.603) 3.412 3.882 ( -1.428 -2.295 0.289) 2.718 3.882 ( 1.428 -2.295 0.289) 2.718 3.971 ( -2.507 10.606 2.302) 11.139 3.971 ( 2.507 10.606 2.302) 11.139 4.111 ( -5.251 1.653 2.376) 5.996 4.111 ( 5.251 1.653 2.376) 5.996 4.624 ( -5.708 8.249 -1.145) 10.097 4.624 ( 5.708 8.249 -1.145) 10.097 4.904 ( -3.858 3.079 -3.141) 5.851 4.904 ( 3.858 3.079 -3.141) 5.851 4.967 ( -1.927 2.598 -1.675) 3.642 4.967 ( 1.927 2.598 -1.675) 3.642 5.091 ( -5.357 5.656 3.103) 8.386 5.091 ( 5.357 5.656 3.103) 8.386 5.260 ( -6.261 1.582 -2.004) 6.761 5.260 ( 6.261 1.582 -2.004) 6.761 5.482 ( -2.475 2.468 4.736) 5.886 5.482 ( 2.475 2.468 4.736) 5.886 5.753 ( -4.534 -7.714 -1.011) 9.005 5.753 ( 4.534 -7.714 -1.011) 9.005 6.164 ( -1.360 20.329 5.586) 21.126 6.164 ( 1.360 20.329 5.586) 21.126 6.318 ( -1.777 18.636 0.250) 18.722 6.318 ( 1.777 18.636 0.250) 18.722 6.797 ( -5.240 0.328 -4.746) 7.078 6.797 ( 5.240 0.328 -4.746) 7.078 7.104 ( -1.911 -3.388 -6.313) 7.415 7.104 ( 1.911 -3.388 -6.313) 7.415 7.271 ( -1.021 0.063 -5.097) 5.199 7.271 ( 1.021 0.063 -5.097) 5.199 7.456 ( -3.308 -4.302 -4.910) 7.318 7.456 ( 3.308 -4.302 -4.910) 7.318 7.954 ( -4.442 11.918 2.247) 12.916 7.954 ( 4.442 11.918 2.247) 12.916 8.239 ( -9.224 5.621 -3.086) 11.234 8.239 ( 9.224 5.621 -3.086) 11.234 8.571 ( -8.442 15.703 7.046) 19.171 8.571 ( 8.442 15.703 7.046) 19.171 8.856 ( -3.197 -2.779 2.095) 4.726 8.856 ( 3.197 -2.779 2.095) 4.726 9.105 ( -5.296 10.108 -2.620) 11.708 9.105 ( 5.296 10.108 -2.620) 11.708 9.535 ( -9.910 5.232 6.070) 12.745 9.535 ( 9.910 5.232 6.070) 12.745 10.041 ( -8.112 12.450 5.952) 16.008 10.041 ( 8.112 12.450 5.952) 16.008 10.304 ( -9.443 10.432 -9.814) 17.156 10.304 ( 9.443 10.432 -9.814) 17.156 10.603 ( -4.782 6.366 -5.743) 9.817 10.603 ( 4.782 6.366 -5.743) 9.817 10.718 ( -5.495 2.265 5.805) 8.308 10.718 ( 5.495 2.265 5.805) 8.308 10.952 ( -9.061 17.530 -1.666) 19.803 10.952 ( 9.061 17.530 -1.666) 19.803 11.350 ( -9.499 16.208 -0.830) 18.805 11.350 ( 9.499 16.208 -0.830) 18.805 11.723 ( -2.264 10.594 -3.382) 11.349 11.723 ( 2.264 10.594 -3.382) 11.349 11.954 ( -3.128 15.217 0.257) 15.538 11.954 ( 3.128 15.217 0.257) 15.538 12.336 ( -2.050 -5.377 0.971) 5.836 12.336 ( 2.050 -5.377 0.971) 5.836 12.602 ( -1.925 -5.279 1.303) 5.768 12.602 ( 1.925 -5.279 1.303) 5.768 12.964 ( -3.180 -14.089 3.370) 14.831 12.964 ( 3.180 -14.089 3.370) 14.831 13.247 ( -3.013 -9.857 -2.601) 10.631 13.247 ( 3.013 -9.857 -2.601) 10.631 13.883 ( -5.240 7.451 -7.868) 12.037 13.883 ( 5.240 7.451 -7.868) 12.037 14.541 ( -0.280 -7.047 -6.421) 9.538 14.541 ( 0.280 -7.047 -6.421) 9.538 14.928 ( -4.073 11.963 4.256) 13.335 14.928 ( 4.073 11.963 4.256) 13.335 15.624 ( -8.087 -1.678 -3.570) 8.998 15.624 ( 8.087 -1.678 -3.570) 8.998 16.057 ( -3.204 -7.428 -5.136) 9.583 16.057 ( 3.204 -7.428 -5.136) 9.583 16.651 ( -2.804 -14.023 -6.726) 15.803 16.651 ( 2.804 -14.023 -6.726) 15.803 17.286 ( -6.233 1.338 9.366) 11.330 17.286 ( 6.233 1.338 9.366) 11.330 17.666 ( -0.362 -8.321 7.999) 11.548 17.666 ( 0.362 -8.321 7.999) 11.548 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 0.000 8.647 7.198) 11.251 2.000 ( 0.000 -3.778 5.350) 6.550 2.095 ( 0.000 6.808 5.844) 8.972 2.171 ( 0.000 -1.472 3.008) 3.349 2.280 ( 0.000 4.643 4.599) 6.535 2.324 ( 0.000 0.399 1.720) 1.766 2.400 ( 0.000 1.502 4.340) 4.592 2.492 ( 0.000 -6.348 3.990) 7.498 2.519 ( 0.000 3.481 1.696) 3.872 2.541 ( 0.000 1.409 0.870) 1.656 2.647 ( 0.000 -3.699 6.688) 7.643 2.710 ( 0.000 -6.093 5.179) 7.997 2.843 ( 0.000 2.853 0.929) 3.000 2.907 ( 0.000 -3.218 3.644) 4.861 2.955 ( 0.000 1.191 1.142) 1.650 3.054 ( 0.000 -5.074 -1.025) 5.176 3.206 ( 0.000 2.336 -6.743) 7.136 3.210 ( 0.000 1.764 -5.402) 5.683 3.395 ( 0.000 0.423 -5.006) 5.024 3.431 ( 0.000 -0.129 -4.422) 4.424 3.470 ( 0.000 -2.235 -4.779) 5.275 3.522 ( 0.000 -2.024 -2.227) 3.009 3.579 ( 0.000 5.591 -2.008) 5.940 3.675 ( 0.000 -3.938 -2.701) 4.776 3.805 ( 0.000 -0.480 3.820) 3.851 3.857 ( 0.000 -4.139 4.871) 6.392 4.220 ( 0.000 7.947 -5.323) 9.565 4.281 ( 0.000 -0.010 -7.071) 7.071 4.440 ( 0.000 10.400 9.108) 13.824 4.523 ( 0.000 -2.150 7.299) 7.609 4.572 ( 0.000 4.503 3.622) 5.779 4.596 ( 0.000 8.521 3.233) 9.114 4.629 ( 0.000 2.665 0.923) 2.820 4.840 ( 0.000 -4.606 -0.741) 4.665 4.989 ( 0.000 1.014 -3.545) 3.688 5.001 ( 0.000 2.241 -4.951) 5.434 5.129 ( 0.000 2.061 2.310) 3.095 5.179 ( 0.000 2.799 1.914) 3.391 5.342 ( 0.000 -5.691 0.447) 5.708 5.362 ( 0.000 -3.035 -0.944) 3.178 5.478 ( 0.000 3.073 2.516) 3.971 5.521 ( 0.000 -3.077 1.478) 3.414 5.592 ( 0.000 2.082 1.360) 2.486 5.662 ( 0.000 -5.876 0.369) 5.887 6.393 ( 0.000 11.694 3.295) 12.149 6.533 ( 0.000 -2.145 2.273) 3.126 6.583 ( 0.000 13.694 4.168) 14.314 6.634 ( 0.000 8.352 3.758) 9.158 6.801 ( 0.000 12.326 -8.470) 14.955 6.904 ( 0.000 2.892 -2.916) 4.107 6.949 ( 0.000 -6.793 -4.779) 8.306 7.004 ( 0.000 -2.759 -4.744) 5.488 7.278 ( 0.000 -1.126 -8.271) 8.347 7.292 ( 0.000 -1.052 -7.715) 7.786 7.330 ( 0.000 -0.742 1.309) 1.505 7.409 ( 0.000 -7.059 -3.125) 7.720 8.148 ( 0.000 3.319 -1.992) 3.871 8.170 ( 0.000 1.427 0.462) 1.500 8.442 ( 0.000 2.660 3.746) 4.594 8.467 ( 0.000 -0.300 4.128) 4.139 8.587 ( 0.000 8.391 -11.616) 14.329 8.751 ( 0.000 -8.006 -10.098) 12.887 8.909 ( 0.000 5.776 5.345) 7.870 8.944 ( 0.000 0.531 -0.332) 0.626 8.977 ( 0.000 10.056 0.652) 10.077 9.070 ( 0.000 1.565 6.539) 6.723 9.468 ( 0.000 9.216 4.106) 10.090 9.601 ( 0.000 -0.618 -2.879) 2.945 9.860 ( 0.000 1.446 10.489) 10.588 9.987 ( 0.000 -8.435 12.565) 15.134 10.191 ( 0.000 7.881 3.858) 8.775 10.289 ( 0.000 -2.391 -0.270) 2.406 10.712 ( 0.000 12.390 13.899) 18.620 10.808 ( 0.000 6.713 9.818) 11.894 10.996 ( 0.000 4.512 -6.346) 7.787 11.023 ( 0.000 2.117 -11.890) 12.077 11.378 ( 0.000 14.008 -9.566) 16.963 11.469 ( 0.000 9.839 -6.252) 11.657 11.589 ( 0.000 1.793 0.379) 1.833 11.623 ( 0.000 6.734 -1.850) 6.984 11.771 ( 0.000 5.298 -11.613) 12.765 11.787 ( 0.000 3.092 -3.703) 4.824 12.257 ( 0.000 10.026 1.458) 10.131 12.279 ( 0.000 -0.638 3.005) 3.072 12.352 ( 0.000 3.292 0.988) 3.437 12.404 ( 0.000 2.364 7.047) 7.433 12.465 ( 0.000 -6.244 -5.334) 8.212 12.664 ( 0.000 2.311 -1.908) 2.997 12.758 ( 0.000 -5.351 1.343) 5.517 12.903 ( 0.000 0.648 8.173) 8.199 12.983 ( 0.000 -9.498 -4.395) 10.465 13.037 ( 0.000 -11.699 3.526) 12.219 14.003 ( 0.000 9.206 -8.175) 12.312 14.157 ( 0.000 -2.940 -9.904) 10.331 14.326 ( 0.000 -4.386 -11.272) 12.095 14.394 ( 0.000 -6.578 -10.045) 12.007 15.068 ( 0.000 14.674 6.967) 16.244 15.303 ( 0.000 2.232 -1.807) 2.872 15.371 ( 0.000 7.357 4.618) 8.687 15.444 ( 0.000 -10.169 0.750) 10.197 15.944 ( 0.000 -8.929 -5.449) 10.460 15.947 ( 0.000 -7.683 -9.092) 11.903 16.414 ( 0.000 0.524 -7.331) 7.350 16.508 ( 0.000 -7.809 -9.524) 12.316 17.247 ( 0.000 8.926 12.900) 15.687 17.449 ( 0.000 -11.190 10.515) 15.356 17.470 ( 0.000 3.051 5.883) 6.628 17.557 ( 0.000 -5.662 6.721) 8.788 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 4.837 7.738 4.674) 10.253 2.027 ( 2.636 -2.949 3.524) 5.298 2.098 ( -0.305 4.479 4.296) 6.214 2.152 ( -1.834 -1.338 2.594) 3.447 2.282 ( 0.590 4.170 6.026) 7.352 2.317 ( -0.647 0.590 4.182) 4.273 2.399 ( -0.088 4.779 0.881) 4.861 2.452 ( -5.353 1.389 0.368) 5.543 2.509 ( -0.729 0.124 2.380) 2.492 2.590 ( 4.164 -8.864 4.346) 10.715 2.654 ( -0.599 3.674 6.516) 7.504 2.713 ( 0.120 0.656 5.455) 5.495 2.766 ( -1.285 -0.472 1.995) 2.420 2.878 ( -2.181 -7.852 1.711) 8.327 2.944 ( -1.599 -1.312 1.336) 2.463 2.985 ( -5.082 -4.755 0.093) 6.960 3.246 ( 3.555 2.280 -3.591) 5.544 3.263 ( 1.715 1.368 -4.651) 5.142 3.386 ( 0.010 3.306 -3.565) 4.862 3.455 ( 1.239 -0.003 -5.312) 5.454 3.511 ( 1.525 0.302 -2.621) 3.047 3.576 ( 0.304 2.063 -4.087) 4.588 3.584 ( 4.596 -4.536 -3.042) 7.138 3.653 ( -0.302 -3.421 -1.528) 3.758 3.794 ( 1.088 0.504 4.042) 4.216 3.860 ( 0.377 -5.183 3.804) 6.441 4.099 ( -9.454 3.153 -3.624) 10.604 4.152 ( -10.055 -1.816 -3.762) 10.888 4.432 ( 0.292 16.598 7.948) 18.405 4.519 ( -2.311 18.342 5.297) 19.231 4.575 ( 6.367 1.080 3.795) 7.490 4.749 ( 9.268 0.324 0.310) 9.278 4.784 ( 6.796 -5.764 -0.298) 8.916 4.821 ( 0.830 -1.289 -0.181) 1.544 4.981 ( -0.656 1.437 -3.877) 4.186 5.020 ( 0.522 0.161 -5.184) 5.213 5.125 ( -0.280 2.388 2.454) 3.436 5.183 ( 0.494 2.043 2.074) 2.953 5.267 ( -5.354 -1.457 1.359) 5.713 5.339 ( -3.110 -6.809 -0.334) 7.493 5.487 ( 0.965 3.557 2.127) 4.256 5.523 ( 0.488 -1.278 1.192) 1.814 5.594 ( -0.064 -0.312 0.935) 0.988 5.651 ( -1.348 -6.091 0.158) 6.241 6.422 ( 2.681 11.521 4.024) 12.495 6.544 ( -0.800 7.288 3.112) 7.965 6.553 ( -0.495 4.662 4.278) 6.347 6.621 ( -1.455 6.934 3.776) 8.028 6.815 ( 1.753 11.999 -6.601) 13.806 6.902 ( -0.566 4.800 -3.662) 6.065 6.994 ( 2.865 -6.644 -4.290) 8.412 7.011 ( 0.975 -3.265 -4.652) 5.766 7.272 ( -0.690 -0.557 -6.911) 6.968 7.291 ( -0.771 0.790 -8.211) 8.285 7.313 ( -0.565 -3.901 -1.036) 4.075 7.384 ( -2.319 -7.371 -3.925) 8.667 8.114 ( -1.080 5.871 -0.474) 5.988 8.181 ( 1.273 -0.426 -0.081) 1.345 8.324 ( -9.320 7.541 -1.842) 12.129 8.435 ( -6.558 -2.910 -0.423) 7.187 8.620 ( 5.514 6.007 -3.290) 8.793 8.713 ( 0.718 -2.940 -5.926) 6.654 8.865 ( -1.675 1.970 6.498) 6.994 8.873 ( -0.443 0.865 4.826) 4.923 9.223 ( 11.111 10.012 -0.644) 14.970 9.265 ( 10.796 7.158 6.093) 14.315 9.456 ( 0.135 5.916 4.522) 7.448 9.605 ( -1.217 -6.445 -2.626) 7.065 9.990 ( 14.081 6.060 6.123) 16.507 10.120 ( 10.983 -5.914 0.656) 12.492 10.273 ( 8.132 4.800 3.929) 10.228 10.349 ( 6.277 -0.588 1.967) 6.604 10.579 ( -9.538 11.986 10.189) 18.397 10.762 ( -6.643 -4.121 8.739) 11.725 10.907 ( -6.998 7.864 -8.675) 13.641 10.948 ( -9.903 1.976 -7.986) 12.874 11.404 ( -1.315 16.766 -4.976) 17.538 11.427 ( -2.047 11.617 -7.525) 13.992 11.517 ( -1.238 9.776 0.363) 9.861 11.629 ( -1.167 0.932 -1.914) 2.428 11.801 ( 6.711 6.650 -3.340) 10.021 11.874 ( 4.301 1.484 -5.077) 6.818 12.187 ( -6.506 5.275 5.048) 9.780 12.295 ( -2.294 -4.990 1.589) 5.718 12.316 ( -4.392 10.116 4.589) 11.945 12.345 ( -3.660 6.441 1.828) 7.631 12.484 ( 2.106 -9.199 -4.546) 10.475 12.621 ( -1.620 13.089 -2.542) 13.431 12.712 ( -2.573 -17.144 3.461) 17.678 12.822 ( -4.869 1.812 2.983) 5.990 12.986 ( -1.133 -14.585 -3.081) 14.950 13.022 ( -1.344 -11.694 1.023) 11.816 14.023 ( 2.400 11.858 -8.100) 14.559 14.162 ( -1.384 6.779 -10.945) 12.948 14.311 ( 0.387 -10.354 -8.662) 13.505 14.389 ( -1.097 -9.097 -10.334) 13.811 15.109 ( 3.596 14.842 6.688) 16.672 15.262 ( -2.982 12.169 2.807) 12.840 15.422 ( 3.097 -11.787 2.357) 12.413 15.469 ( 1.608 -6.966 -0.371) 7.159 15.955 ( 4.597 0.502 -5.995) 7.571 16.060 ( 6.467 -4.002 -9.931) 12.508 16.365 ( -4.002 -3.799 -7.091) 8.985 16.462 ( -4.363 -10.168 -9.772) 14.762 17.280 ( 3.081 7.985 11.997) 14.737 17.437 ( -3.044 3.699 7.156) 8.612 17.464 ( 1.382 -10.145 10.131) 14.403 17.540 ( -1.595 -6.428 7.464) 9.979 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( -5.112 3.920 1.489) 6.612 2.048 ( 5.112 3.920 1.489) 6.612 2.096 ( -3.532 -1.482 2.121) 4.378 2.096 ( 3.532 -1.482 2.121) 4.378 2.316 ( -3.780 5.264 5.534) 8.523 2.316 ( 3.780 5.264 5.534) 8.523 2.355 ( -3.131 1.597 2.893) 4.552 2.355 ( 3.131 1.597 2.893) 4.552 2.559 ( -4.500 4.350 2.474) 6.730 2.559 ( 4.500 4.350 2.474) 6.730 2.693 ( -4.123 -7.690 4.439) 9.790 2.693 ( 4.123 -7.690 4.439) 9.790 2.833 ( -5.604 -0.658 1.856) 5.940 2.833 ( 5.604 -0.658 1.856) 5.940 2.909 ( -1.655 -5.954 2.599) 6.704 2.909 ( 1.655 -5.954 2.599) 6.704 3.290 ( -0.691 6.268 -2.848) 6.919 3.290 ( 0.691 6.268 -2.848) 6.919 3.407 ( -3.507 -4.235 -3.280) 6.402 3.407 ( 3.507 -4.235 -3.280) 6.402 3.554 ( -1.544 3.776 -1.626) 4.391 3.554 ( 1.544 3.776 -1.626) 4.391 3.659 ( -1.193 -6.281 -3.375) 7.229 3.659 ( 1.193 -6.281 -3.375) 7.229 3.890 ( -6.424 2.396 0.217) 6.860 3.890 ( 6.424 2.396 0.217) 6.860 3.956 ( -6.203 -4.052 -0.250) 7.414 3.956 ( 6.203 -4.052 -0.250) 7.414 4.469 ( -2.570 21.035 6.115) 22.056 4.469 ( 2.570 21.035 6.115) 22.056 4.710 ( -6.081 -1.716 1.554) 6.507 4.710 ( 6.081 -1.716 1.554) 6.507 4.925 ( -5.848 0.408 -3.140) 6.650 4.925 ( 5.848 0.408 -3.140) 6.650 4.971 ( -6.147 -3.390 -3.279) 7.748 4.971 ( 6.147 -3.390 -3.279) 7.748 5.141 ( -2.810 4.161 3.131) 5.917 5.141 ( 2.810 4.161 3.131) 5.917 5.258 ( -3.942 -4.986 0.706) 6.395 5.258 ( 3.942 -4.986 0.706) 6.395 5.516 ( -1.485 3.451 1.527) 4.055 5.516 ( 1.485 3.451 1.527) 4.055 5.611 ( -2.020 -5.835 0.090) 6.176 5.611 ( 2.020 -5.835 0.090) 6.176 6.487 ( -3.290 11.553 4.955) 12.994 6.487 ( 3.290 11.553 4.955) 12.994 6.584 ( -1.957 3.687 3.578) 5.498 6.584 ( 1.957 3.687 3.578) 5.498 6.867 ( -2.744 8.829 -4.597) 10.326 6.867 ( 2.744 8.829 -4.597) 10.326 7.028 ( -0.553 -5.289 -4.088) 6.707 7.028 ( 0.553 -5.289 -4.088) 6.707 7.265 ( -0.626 0.420 -5.819) 5.868 7.265 ( 0.626 0.420 -5.819) 5.868 7.333 ( -2.131 -6.583 -5.507) 8.843 7.333 ( 2.131 -6.583 -5.507) 8.843 8.156 ( -5.650 8.423 -0.845) 10.177 8.156 ( 5.650 8.423 -0.845) 10.177 8.268 ( -7.257 -2.567 -2.459) 8.081 8.268 ( 7.257 -2.567 -2.459) 8.081 8.765 ( -6.114 4.803 2.916) 8.304 8.765 ( 6.114 4.803 2.916) 8.304 8.816 ( -4.664 -1.571 2.656) 5.592 8.816 ( 4.664 -1.571 2.656) 5.592 9.350 ( -2.839 12.950 1.507) 13.343 9.350 ( 2.839 12.950 1.507) 13.343 9.538 ( -5.856 -5.279 3.967) 8.826 9.538 ( 5.856 -5.279 3.967) 8.826 10.263 ( -9.156 10.860 3.712) 14.682 10.263 ( 9.156 10.860 3.712) 14.682 10.405 ( -9.926 -1.286 -8.273) 12.986 10.405 ( 9.926 -1.286 -8.273) 12.986 10.642 ( -17.567 1.107 -0.556) 17.611 10.642 ( 17.567 1.107 -0.556) 17.611 10.697 ( -7.452 -3.314 4.483) 9.307 10.697 ( 7.452 -3.314 4.483) 9.307 11.379 ( -1.117 20.930 -2.582) 21.118 11.379 ( 1.117 20.930 -2.582) 21.118 11.583 ( -3.689 2.773 -2.560) 5.277 11.583 ( 3.689 2.773 -2.560) 5.277 11.950 ( -1.853 10.131 -1.069) 10.355 11.950 ( 1.853 10.131 -1.069) 10.355 12.081 ( -4.597 -3.441 6.625) 8.767 12.081 ( 4.597 -3.441 6.625) 8.767 12.323 ( -0.703 6.969 -1.387) 7.141 12.323 ( 0.703 6.969 -1.387) 7.141 12.554 ( -4.623 -7.444 -2.405) 9.087 12.554 ( 4.623 -7.444 -2.405) 9.087 12.736 ( -4.122 1.277 2.103) 4.801 12.736 ( 4.122 1.277 2.103) 4.801 12.984 ( -1.537 -15.820 -1.994) 16.019 12.984 ( 1.537 -15.820 -1.994) 16.019 14.095 ( -4.169 13.085 -9.334) 16.605 14.095 ( 4.169 13.085 -9.334) 16.605 14.349 ( -2.470 -12.127 -9.152) 15.392 14.349 ( 2.470 -12.127 -9.152) 15.392 15.191 ( -3.998 14.550 5.473) 16.052 15.191 ( 3.998 14.550 5.473) 16.052 15.471 ( -1.495 -13.099 0.898) 13.215 15.471 ( 1.495 -13.099 0.898) 13.215 16.088 ( -5.592 9.893 -8.290) 14.066 16.088 ( 5.592 9.893 -8.290) 14.066 16.353 ( -4.707 -15.658 -8.960) 18.644 16.353 ( 4.707 -15.658 -8.960) 18.644 17.359 ( -4.243 5.847 9.747) 12.132 17.359 ( 4.243 5.847 9.747) 12.132 17.500 ( -2.077 -8.292 9.002) 12.414 17.500 ( 2.077 -8.292 9.002) 12.414 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 0.000 0.000 19.198) 19.198 1.758 ( 0.000 0.000 21.723) 21.723 1.791 ( 0.000 0.000 -12.829) 12.829 2.074 ( 0.000 0.000 8.083) 8.083 2.095 ( 0.000 0.000 -9.615) 9.615 2.172 ( 0.000 0.000 -1.619) 1.619 2.331 ( 0.000 0.000 4.839) 4.839 2.365 ( 0.000 0.000 0.601) 0.601 2.428 ( 0.000 0.000 7.768) 7.768 2.563 ( 0.000 0.000 0.615) 0.615 2.595 ( 0.000 0.000 -2.474) 2.474 2.639 ( 0.000 0.000 -7.200) 7.200 2.650 ( 0.000 0.000 -1.913) 1.913 2.697 ( 0.000 0.000 -5.273) 5.273 2.804 ( 0.000 0.000 13.647) 13.647 2.934 ( 0.000 0.000 3.540) 3.540 3.039 ( 0.000 0.000 -6.610) 6.610 3.045 ( 0.000 0.000 -8.539) 8.539 3.139 ( 0.000 0.000 10.105) 10.105 3.191 ( 0.000 0.000 0.636) 0.636 3.335 ( 0.000 0.000 5.212) 5.212 3.605 ( 0.000 0.000 6.250) 6.250 3.612 ( 0.000 0.000 -9.230) 9.230 3.690 ( 0.000 0.000 -1.123) 1.123 3.911 ( 0.000 0.000 4.737) 4.737 3.927 ( 0.000 0.000 1.697) 1.697 3.952 ( 0.000 0.000 -2.021) 2.021 4.039 ( 0.000 0.000 -13.519) 13.519 4.049 ( 0.000 0.000 -2.468) 2.468 4.079 ( 0.000 0.000 -5.839) 5.839 4.154 ( 0.000 0.000 1.647) 1.647 4.167 ( 0.000 0.000 0.090) 0.090 4.554 ( 0.000 0.000 1.758) 1.758 4.607 ( 0.000 0.000 3.082) 3.082 4.608 ( 0.000 0.000 -3.161) 3.161 4.640 ( 0.000 0.000 0.283) 0.283 4.850 ( 0.000 0.000 0.785) 0.785 4.855 ( 0.000 0.000 3.233) 3.233 5.000 ( 0.000 0.000 0.541) 0.541 5.032 ( 0.000 0.000 2.444) 2.444 5.369 ( 0.000 0.000 3.517) 3.517 5.392 ( 0.000 0.000 -2.135) 2.135 5.424 ( 0.000 0.000 -1.822) 1.822 5.465 ( 0.000 0.000 -6.082) 6.082 5.666 ( 0.000 0.000 2.061) 2.061 5.705 ( 0.000 0.000 -0.968) 0.968 5.773 ( 0.000 0.000 8.063) 8.063 5.938 ( 0.000 0.000 -7.753) 7.753 6.643 ( 0.000 0.000 13.403) 13.403 6.818 ( 0.000 0.000 -3.341) 3.341 6.948 ( 0.000 0.000 2.506) 2.506 7.048 ( 0.000 0.000 -6.495) 6.495 7.111 ( 0.000 0.000 0.673) 0.673 7.115 ( 0.000 0.000 11.951) 11.951 7.162 ( 0.000 0.000 -4.838) 4.838 7.295 ( 0.000 0.000 -7.937) 7.937 7.673 ( 0.000 0.000 4.555) 4.555 7.706 ( 0.000 0.000 1.676) 1.676 7.815 ( 0.000 0.000 -8.388) 8.388 7.861 ( 0.000 0.000 -9.365) 9.365 8.234 ( 0.000 0.000 4.434) 4.434 8.277 ( 0.000 0.000 0.963) 0.963 8.596 ( 0.000 0.000 3.679) 3.679 8.694 ( 0.000 0.000 -3.252) 3.252 8.863 ( 0.000 0.000 5.340) 5.340 8.936 ( 0.000 0.000 -2.147) 2.147 9.024 ( 0.000 0.000 4.580) 4.580 9.111 ( 0.000 0.000 2.558) 2.558 9.119 ( 0.000 0.000 -6.577) 6.577 9.172 ( 0.000 0.000 -3.198) 3.198 9.937 ( 0.000 0.000 0.829) 0.829 9.988 ( 0.000 0.000 3.874) 3.874 9.993 ( 0.000 0.000 -5.089) 5.089 10.102 ( 0.000 0.000 -6.272) 6.272 10.412 ( 0.000 0.000 5.804) 5.804 10.533 ( 0.000 0.000 -3.560) 3.560 10.801 ( 0.000 0.000 -2.906) 2.906 10.802 ( 0.000 0.000 4.798) 4.798 10.807 ( 0.000 0.000 4.677) 4.677 10.883 ( 0.000 0.000 -8.289) 8.289 11.195 ( 0.000 0.000 4.395) 4.395 11.326 ( 0.000 0.000 2.723) 2.723 11.344 ( 0.000 0.000 -9.504) 9.504 11.398 ( 0.000 0.000 -4.302) 4.302 12.674 ( 0.000 0.000 4.242) 4.242 12.695 ( 0.000 0.000 2.272) 2.272 12.709 ( 0.000 0.000 0.934) 0.934 12.748 ( 0.000 0.000 -2.836) 2.836 13.219 ( 0.000 0.000 7.600) 7.600 13.308 ( 0.000 0.000 -2.143) 2.143 13.573 ( 0.000 0.000 15.951) 15.951 13.881 ( 0.000 0.000 4.698) 4.698 13.925 ( 0.000 0.000 -15.026) 15.026 13.972 ( 0.000 0.000 -4.195) 4.195 13.990 ( 0.000 0.000 9.019) 9.019 14.214 ( 0.000 0.000 -15.341) 15.341 14.713 ( 0.000 0.000 -1.260) 1.260 14.743 ( 0.000 0.000 -3.435) 3.435 15.732 ( 0.000 0.000 15.850) 15.850 16.042 ( 0.000 0.000 -14.164) 14.164 16.081 ( 0.000 0.000 11.106) 11.106 16.311 ( 0.000 0.000 -10.824) 10.824 17.119 ( 0.000 0.000 1.650) 1.650 17.143 ( 0.000 0.000 -1.237) 1.237 17.393 ( 0.000 0.000 7.047) 7.047 17.521 ( 0.000 0.000 -5.170) 5.170 18.003 ( 0.000 0.000 4.431) 4.431 18.051 ( 0.000 0.000 -0.147) 0.147 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 4.289 0.000 17.675) 18.187 1.756 ( -4.440 0.000 -2.023) 4.879 1.756 ( 1.477 0.000 22.368) 22.416 2.008 ( -1.952 0.000 -0.245) 1.967 2.060 ( -4.990 0.000 0.291) 4.999 2.146 ( -4.200 0.000 -8.089) 9.114 2.256 ( -6.743 0.000 -2.394) 7.156 2.341 ( -2.767 0.000 1.238) 3.031 2.346 ( -2.800 0.000 1.715) 3.283 2.403 ( -8.116 0.000 -6.996) 10.715 2.655 ( 4.500 0.000 0.476) 4.525 2.678 ( 5.038 0.000 5.170) 7.219 2.703 ( 4.592 0.000 -2.599) 5.277 2.814 ( 7.305 0.000 -7.318) 10.340 2.901 ( -3.273 0.000 4.490) 5.557 2.902 ( 1.917 0.000 5.394) 5.724 3.000 ( -3.416 0.000 -3.999) 5.259 3.016 ( -2.277 0.000 -6.666) 7.045 3.255 ( 12.530 0.000 9.934) 15.990 3.325 ( 8.242 0.000 -2.406) 8.586 3.398 ( 7.194 0.000 12.559) 14.474 3.619 ( 1.406 0.000 5.925) 6.090 3.681 ( 4.822 0.000 -2.864) 5.609 3.709 ( 0.511 0.000 -2.620) 2.669 3.800 ( -3.404 0.000 6.199) 7.072 3.853 ( -7.107 0.000 -1.451) 7.254 3.914 ( -4.262 0.000 -4.441) 6.155 3.972 ( -3.150 0.000 -12.509) 12.899 4.112 ( 6.115 0.000 1.667) 6.338 4.166 ( 4.348 0.000 -3.145) 5.366 4.186 ( 0.497 0.000 3.076) 3.116 4.239 ( 3.145 0.000 -4.776) 5.719 4.376 ( -14.500 0.000 12.451) 19.113 4.530 ( -1.620 0.000 0.918) 1.862 4.557 ( -8.103 0.000 -4.862) 9.449 4.578 ( -2.683 0.000 -3.305) 4.257 4.874 ( 2.626 0.000 2.620) 3.710 4.909 ( 1.130 0.000 1.303) 1.725 4.963 ( 0.371 0.000 -3.722) 3.740 5.041 ( -2.305 0.000 -7.190) 7.551 5.401 ( 2.854 0.000 3.791) 4.746 5.416 ( 3.160 0.000 2.393) 3.964 5.456 ( 1.114 0.000 -0.566) 1.250 5.478 ( 0.455 0.000 -3.005) 3.039 5.680 ( 1.459 0.000 2.715) 3.082 5.720 ( 0.913 0.000 -0.691) 1.145 5.803 ( 2.882 0.000 4.131) 5.037 5.924 ( -1.523 0.000 -6.644) 6.817 6.646 ( 0.655 0.000 11.237) 11.256 6.767 ( -4.218 0.000 1.161) 4.375 6.967 ( 1.928 0.000 3.121) 3.668 7.072 ( 1.486 0.000 -4.625) 4.857 7.084 ( -1.783 0.000 -0.357) 1.819 7.120 ( 0.963 0.000 3.069) 3.217 7.155 ( -0.954 0.000 -5.532) 5.614 7.265 ( -3.719 0.000 -9.568) 10.265 7.727 ( 3.995 0.000 8.722) 9.594 7.737 ( 6.360 0.000 3.382) 7.203 7.848 ( 3.489 0.000 -6.631) 7.493 7.902 ( 1.769 0.000 -3.827) 4.217 8.137 ( -8.324 0.000 1.912) 8.541 8.157 ( -10.093 0.000 0.567) 10.109 8.546 ( -2.997 0.000 2.054) 3.634 8.686 ( -3.271 0.000 -8.247) 8.872 8.915 ( 5.038 0.000 3.264) 6.003 8.955 ( 3.501 0.000 -0.894) 3.614 9.103 ( 6.397 0.000 4.958) 8.093 9.105 ( -1.108 0.000 2.850) 3.058 9.158 ( -1.951 0.000 -2.147) 2.900 9.188 ( 4.908 0.000 -3.470) 6.011 9.861 ( -5.000 0.000 2.735) 5.699 9.946 ( -5.065 0.000 -5.885) 7.765 10.035 ( 5.556 0.000 7.546) 9.371 10.204 ( 8.841 0.000 -8.199) 12.058 10.449 ( 4.111 0.000 3.696) 5.528 10.563 ( 2.175 0.000 -5.915) 6.303 10.568 ( -15.099 0.000 10.984) 18.672 10.740 ( -10.502 0.000 -5.322) 11.773 10.770 ( -2.470 0.000 -1.007) 2.668 10.847 ( -3.471 0.000 -7.048) 7.857 11.215 ( 1.585 0.000 4.176) 4.467 11.280 ( -1.759 0.000 -0.117) 1.763 11.404 ( 2.488 0.000 -4.351) 5.013 11.417 ( 1.356 0.000 -3.821) 4.055 12.742 ( 5.177 0.000 4.527) 6.877 12.751 ( 3.580 0.000 1.512) 3.886 12.778 ( 7.074 0.000 1.013) 7.146 12.790 ( 2.821 0.000 -2.215) 3.586 13.162 ( -4.041 0.000 7.521) 8.538 13.264 ( -4.405 0.000 -2.810) 5.225 13.632 ( 4.991 0.000 14.220) 15.071 13.870 ( -4.993 0.000 4.200) 6.524 13.883 ( 0.415 0.000 3.238) 3.265 13.950 ( -1.982 0.000 -3.237) 3.796 14.012 ( 2.367 0.000 -10.261) 10.530 14.172 ( -3.858 0.000 -16.203) 16.656 14.717 ( 1.124 0.000 1.036) 1.529 14.760 ( 0.574 0.000 -2.679) 2.740 15.741 ( 1.079 0.000 12.243) 12.290 15.891 ( -6.744 0.000 0.461) 6.760 16.261 ( 8.871 0.000 -2.869) 9.323 16.352 ( 3.128 0.000 -8.658) 9.206 17.069 ( -3.720 0.000 0.960) 3.842 17.084 ( -4.387 0.000 -0.850) 4.468 17.439 ( 3.376 0.000 5.173) 6.177 17.522 ( -0.263 0.000 -2.591) 2.604 18.016 ( 1.054 0.000 3.645) 3.795 18.049 ( -0.256 0.000 0.491) 0.553 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -7.146 0.000 12.427) 14.335 1.624 ( 7.146 0.000 12.427) 14.335 1.871 ( -9.774 0.000 18.048) 20.524 1.871 ( 9.774 0.000 18.048) 20.524 2.044 ( -4.480 0.000 -9.973) 10.933 2.044 ( 4.480 0.000 -9.973) 10.933 2.237 ( -4.156 0.000 -12.304) 12.987 2.237 ( 4.156 0.000 -12.304) 12.987 2.335 ( -0.535 0.000 1.353) 1.455 2.335 ( 0.535 0.000 1.353) 1.455 2.737 ( -2.313 0.000 -0.697) 2.416 2.737 ( 2.313 0.000 -0.697) 2.416 2.804 ( -6.088 0.000 6.336) 8.787 2.804 ( 6.088 0.000 6.336) 8.787 2.927 ( -2.847 0.000 -0.608) 2.911 2.927 ( 2.847 0.000 -0.608) 2.911 2.943 ( -5.019 0.000 -7.080) 8.679 2.943 ( 5.019 0.000 -7.080) 8.679 3.410 ( -1.236 0.000 -2.181) 2.507 3.410 ( 1.236 0.000 -2.181) 2.507 3.664 ( -3.007 0.000 4.027) 5.026 3.664 ( 3.007 0.000 4.027) 5.026 3.674 ( -11.600 0.000 14.075) 18.239 3.674 ( 11.600 0.000 14.075) 18.239 3.808 ( -11.307 0.000 3.812) 11.932 3.808 ( 11.307 0.000 3.812) 11.932 3.827 ( -3.860 0.000 -2.016) 4.355 3.827 ( 3.860 0.000 -2.016) 4.355 4.182 ( -4.545 0.000 -1.590) 4.815 4.182 ( 4.545 0.000 -1.590) 4.815 4.200 ( -1.640 0.000 0.179) 1.650 4.200 ( 1.640 0.000 0.179) 1.650 4.376 ( -7.247 0.000 -6.949) 10.040 4.376 ( 7.247 0.000 -6.949) 10.040 4.525 ( -1.637 0.000 -1.848) 2.469 4.525 ( 1.637 0.000 -1.848) 2.469 4.908 ( -0.621 0.000 1.437) 1.565 4.908 ( 0.621 0.000 1.437) 1.565 4.994 ( -1.815 0.000 -6.445) 6.696 4.994 ( 1.815 0.000 -6.445) 6.696 5.459 ( -0.785 0.000 0.816) 1.132 5.459 ( 0.785 0.000 0.816) 1.132 5.460 ( -2.286 0.000 2.019) 3.050 5.460 ( 2.286 0.000 2.019) 3.050 5.716 ( -1.468 0.000 1.727) 2.267 5.716 ( 1.468 0.000 1.727) 2.267 5.873 ( -3.382 0.000 -2.574) 4.250 5.873 ( 3.382 0.000 -2.574) 4.250 6.684 ( -3.233 0.000 6.315) 7.095 6.684 ( 3.233 0.000 6.315) 7.095 7.021 ( -3.160 0.000 3.136) 4.452 7.021 ( 3.160 0.000 3.136) 4.452 7.122 ( -2.179 0.000 -6.421) 6.781 7.122 ( 2.179 0.000 -6.421) 6.781 7.171 ( -4.151 0.000 -6.089) 7.370 7.171 ( 4.151 0.000 -6.089) 7.370 7.854 ( -6.336 0.000 8.913) 10.936 7.854 ( 6.336 0.000 8.913) 10.936 7.915 ( -8.684 0.000 1.859) 8.881 7.915 ( 8.684 0.000 1.859) 8.881 7.973 ( -5.354 0.000 -3.274) 6.276 7.973 ( 5.354 0.000 -3.274) 6.276 8.569 ( -5.523 0.000 -8.002) 9.723 8.569 ( 5.523 0.000 -8.002) 9.723 9.023 ( -3.066 0.000 2.772) 4.133 9.023 ( 3.066 0.000 2.772) 4.133 9.085 ( -3.729 0.000 -0.999) 3.860 9.085 ( 3.729 0.000 -0.999) 3.860 9.219 ( -3.145 0.000 3.100) 4.416 9.219 ( 3.145 0.000 3.100) 4.416 9.836 ( -3.556 0.000 -1.853) 4.010 9.836 ( 3.556 0.000 -1.853) 4.010 10.224 ( -11.997 0.000 9.882) 15.543 10.224 ( 11.997 0.000 9.882) 15.543 10.480 ( -12.381 0.000 -7.548) 14.500 10.480 ( 12.381 0.000 -7.548) 14.500 10.552 ( -4.276 0.000 -3.601) 5.591 10.552 ( 4.276 0.000 -3.601) 5.591 10.766 ( -3.146 0.000 -2.352) 3.928 10.766 ( 3.146 0.000 -2.352) 3.928 11.248 ( -1.564 0.000 2.157) 2.664 11.248 ( 1.564 0.000 2.157) 2.664 11.431 ( -0.236 0.000 -3.769) 3.776 11.431 ( 0.236 0.000 -3.769) 3.776 12.811 ( -1.319 0.000 0.239) 1.340 12.811 ( 1.319 0.000 0.239) 1.340 12.843 ( -2.735 0.000 4.371) 5.156 12.843 ( 2.735 0.000 4.371) 5.156 13.154 ( -4.567 0.000 -0.136) 4.569 13.154 ( 4.567 0.000 -0.136) 4.569 13.750 ( -6.260 0.000 11.411) 13.015 13.750 ( 6.260 0.000 11.411) 13.015 13.906 ( -1.893 0.000 -0.299) 1.916 13.906 ( 1.893 0.000 -0.299) 1.916 14.083 ( -4.327 0.000 -16.200) 16.767 14.083 ( 4.327 0.000 -16.200) 16.767 14.750 ( -1.502 0.000 0.384) 1.550 14.750 ( 1.502 0.000 0.384) 1.550 15.787 ( -3.611 0.000 5.760) 6.798 15.787 ( 3.611 0.000 5.760) 6.798 16.379 ( -1.892 0.000 -5.526) 5.841 16.379 ( 1.892 0.000 -5.526) 5.841 17.024 ( -0.365 0.000 -0.236) 0.434 17.024 ( 0.365 0.000 -0.236) 0.434 17.498 ( -2.124 0.000 1.724) 2.735 17.498 ( 2.124 0.000 1.724) 2.735 18.038 ( -0.907 0.000 2.012) 2.207 18.038 ( 0.907 0.000 2.012) 2.207 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 0.000 17.260 15.752) 23.367 1.779 ( 0.000 2.614 19.014) 19.193 1.990 ( 0.000 14.181 -10.012) 17.359 2.118 ( 0.000 2.778 -8.538) 8.979 2.198 ( 0.000 7.572 5.691) 9.472 2.255 ( 0.000 5.434 0.172) 5.437 2.315 ( 0.000 -0.924 5.171) 5.253 2.368 ( 0.000 1.908 -0.458) 1.963 2.444 ( 0.000 3.746 5.653) 6.782 2.549 ( 0.000 0.817 2.305) 2.445 2.591 ( 0.000 -0.897 -6.911) 6.969 2.627 ( 0.000 0.131 -6.687) 6.688 2.690 ( 0.000 2.962 2.957) 4.186 2.694 ( 0.000 2.643 -2.956) 3.965 2.856 ( 0.000 2.158 8.462) 8.733 2.981 ( 0.000 3.243 1.134) 3.435 3.075 ( 0.000 4.679 -5.470) 7.198 3.107 ( 0.000 5.952 -3.299) 6.805 3.143 ( 0.000 2.643 7.421) 7.878 3.196 ( 0.000 0.943 1.471) 1.747 3.337 ( 0.000 0.763 5.232) 5.287 3.558 ( 0.000 -3.118 -6.825) 7.503 3.797 ( 0.000 10.538 2.123) 10.750 3.856 ( 0.000 5.132 -4.171) 6.613 3.921 ( 0.000 -1.597 2.373) 2.860 3.952 ( 0.000 -2.911 -0.577) 2.968 4.025 ( 0.000 -0.151 -1.282) 1.291 4.061 ( 0.000 3.313 -4.042) 5.226 4.087 ( 0.000 7.573 0.237) 7.577 4.120 ( 0.000 8.918 -1.170) 8.994 4.260 ( 0.000 19.343 3.154) 19.599 4.347 ( 0.000 18.426 -5.492) 19.227 4.528 ( 0.000 -1.773 3.452) 3.881 4.600 ( 0.000 -0.191 1.477) 1.489 4.624 ( 0.000 -1.083 0.269) 1.116 4.639 ( 0.000 3.715 -5.777) 6.869 4.843 ( 0.000 0.054 3.136) 3.136 4.850 ( 0.000 0.615 0.271) 0.672 5.026 ( 0.000 3.365 -0.642) 3.426 5.041 ( 0.000 1.723 1.513) 2.294 5.363 ( 0.000 0.384 0.000) 0.384 5.381 ( 0.000 2.366 0.684) 2.463 5.541 ( 0.000 9.951 1.210) 10.024 5.602 ( 0.000 10.475 -5.734) 11.941 5.697 ( 0.000 4.170 3.276) 5.303 5.750 ( 0.000 5.349 -1.217) 5.486 5.843 ( 0.000 4.275 7.077) 8.268 5.993 ( 0.000 3.484 -7.175) 7.976 6.726 ( 0.000 8.518 7.461) 11.324 6.772 ( 0.000 -3.396 1.221) 3.609 6.972 ( 0.000 0.860 0.228) 0.890 6.991 ( 0.000 -1.674 -1.901) 2.533 7.084 ( 0.000 -0.065 -0.854) 0.856 7.126 ( 0.000 -2.050 -5.390) 5.767 7.277 ( 0.000 10.274 5.929) 11.862 7.368 ( 0.000 5.123 -4.161) 6.600 7.716 ( 0.000 5.531 6.548) 8.572 7.762 ( 0.000 4.934 1.116) 5.058 7.875 ( 0.000 4.246 -8.431) 9.440 7.929 ( 0.000 7.881 -11.014) 13.543 8.240 ( 0.000 1.611 5.543) 5.772 8.310 ( 0.000 5.189 0.068) 5.189 8.669 ( 0.000 6.593 4.199) 7.816 8.750 ( 0.000 3.876 -0.253) 3.884 8.885 ( 0.000 -0.114 3.679) 3.681 8.963 ( 0.000 -2.395 -4.372) 4.985 9.066 ( 0.000 7.256 4.499) 8.537 9.154 ( 0.000 11.692 -3.963) 12.345 9.325 ( 0.000 15.687 -1.299) 15.741 9.333 ( 0.000 13.843 -1.366) 13.910 9.851 ( 0.000 -2.413 1.782) 3.000 9.917 ( 0.000 2.832 -4.680) 5.470 10.225 ( 0.000 14.892 1.420) 14.960 10.261 ( 0.000 10.628 -1.836) 10.785 10.408 ( 0.000 0.677 5.493) 5.535 10.544 ( 0.000 1.204 -6.176) 6.292 10.724 ( 0.000 -5.064 3.524) 6.170 10.869 ( 0.000 4.263 -3.708) 5.650 10.901 ( 0.000 7.715 6.163) 9.874 10.937 ( 0.000 7.965 -2.716) 8.416 11.255 ( 0.000 5.872 0.842) 5.932 11.356 ( 0.000 1.534 -8.389) 8.528 11.415 ( 0.000 8.238 0.256) 8.242 11.447 ( 0.000 4.593 -2.849) 5.405 12.590 ( 0.000 -3.722 4.267) 5.663 12.639 ( 0.000 -4.244 0.316) 4.256 12.809 ( 0.000 4.708 0.517) 4.736 12.825 ( 0.000 6.028 -0.186) 6.031 13.174 ( 0.000 -4.228 5.010) 6.556 13.236 ( 0.000 -7.387 -1.613) 7.561 13.542 ( 0.000 -2.887 15.228) 15.499 13.740 ( 0.000 -10.407 1.357) 10.495 13.762 ( 0.000 -10.139 -0.208) 10.141 13.900 ( 0.000 -2.545 -17.005) 17.195 14.242 ( 0.000 14.288 5.406) 15.277 14.385 ( 0.000 13.602 -9.699) 16.706 14.683 ( 0.000 -3.085 -1.390) 3.383 14.716 ( 0.000 -2.548 -3.843) 4.611 15.694 ( 0.000 -3.841 15.582) 16.048 15.993 ( 0.000 -4.967 -13.470) 14.357 16.047 ( 0.000 -3.189 10.072) 10.565 16.267 ( 0.000 -4.337 -10.764) 11.605 17.069 ( 0.000 -5.707 0.080) 5.707 17.075 ( 0.000 -7.231 -0.827) 7.278 17.356 ( 0.000 -2.882 8.279) 8.766 17.491 ( 0.000 -2.388 -4.854) 5.410 17.976 ( 0.000 -2.816 4.205) 5.061 18.016 ( 0.000 -3.482 0.352) 3.499 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 3.044 12.840 16.718) 21.298 1.805 ( 3.151 7.814 18.025) 19.897 1.966 ( -3.561 14.692 -2.804) 15.375 2.082 ( -4.161 3.651 -0.841) 5.600 2.106 ( -3.557 7.282 1.463) 8.235 2.222 ( -7.090 3.505 -2.085) 8.179 2.281 ( -2.825 2.307 -4.664) 5.921 2.333 ( -6.623 -0.288 -2.041) 6.937 2.350 ( -1.549 2.471 0.159) 2.921 2.399 ( -5.163 0.912 -3.727) 6.433 2.650 ( 3.804 0.939 0.652) 3.972 2.694 ( 4.184 1.238 -1.341) 4.565 2.715 ( 4.524 3.065 2.713) 6.101 2.800 ( 5.254 -0.401 -3.722) 6.451 2.920 ( -1.123 1.948 2.527) 3.382 2.974 ( -0.625 2.969 -0.157) 3.038 3.028 ( -1.305 5.153 -0.294) 5.324 3.086 ( -1.472 6.592 -4.649) 8.200 3.258 ( 11.010 1.418 9.118) 14.365 3.325 ( 8.296 0.568 -1.642) 8.476 3.407 ( 7.415 1.324 10.401) 12.842 3.628 ( 5.036 -2.812 -2.266) 6.197 3.782 ( -2.629 4.018 4.786) 6.779 3.804 ( -4.042 1.399 -1.781) 4.633 3.898 ( -0.308 3.927 0.403) 3.960 3.916 ( -3.456 -0.702 -2.807) 4.507 3.943 ( -3.633 14.106 -3.566) 14.997 4.033 ( -0.884 5.179 -5.520) 7.620 4.128 ( 3.030 0.209 4.030) 5.046 4.212 ( 3.982 1.568 -2.436) 4.924 4.279 ( -2.701 7.206 2.540) 8.104 4.346 ( -0.697 15.412 -1.652) 15.516 4.401 ( -8.280 7.432 6.858) 13.070 4.518 ( -6.961 2.205 -2.096) 7.597 4.556 ( 0.419 3.911 1.633) 4.259 4.658 ( -1.530 7.073 -5.960) 9.375 4.874 ( 3.501 -0.071 2.754) 4.455 4.903 ( 1.707 -0.049 -0.088) 1.710 4.992 ( -0.445 3.651 -3.359) 4.981 5.046 ( -1.829 1.475 -6.106) 6.542 5.363 ( 2.166 0.460 3.321) 3.991 5.418 ( 0.607 0.267 -1.111) 1.294 5.562 ( 2.509 10.114 2.885) 10.812 5.621 ( 0.742 9.850 -1.340) 9.969 5.714 ( 1.409 4.180 1.689) 4.724 5.756 ( 0.248 4.704 -0.868) 4.790 5.867 ( 2.514 4.026 4.509) 6.547 5.981 ( -1.302 3.878 -5.885) 7.167 6.696 ( -1.161 3.184 5.777) 6.698 6.765 ( -2.178 1.448 0.178) 2.622 6.963 ( 2.001 0.797 3.346) 3.980 7.044 ( 1.060 -2.726 -3.081) 4.248 7.093 ( 1.783 2.452 -2.069) 3.670 7.130 ( 0.090 -1.184 -5.208) 5.341 7.232 ( -2.504 8.688 2.833) 9.475 7.344 ( -3.732 5.948 -6.851) 9.810 7.744 ( 3.194 2.630 5.446) 6.839 7.798 ( 5.000 5.510 7.871) 10.831 7.868 ( 0.426 2.540 -4.866) 5.506 7.994 ( 3.411 7.637 -8.089) 11.636 8.166 ( -6.274 3.530 3.093) 7.836 8.203 ( -8.629 7.090 0.877) 11.203 8.587 ( -3.514 3.662 2.054) 5.475 8.723 ( -3.794 3.389 -7.586) 9.134 9.020 ( 8.141 -1.768 4.632) 9.532 9.063 ( 8.552 4.620 2.572) 10.054 9.112 ( 3.704 8.878 1.319) 9.710 9.168 ( 2.011 13.047 -2.524) 13.441 9.305 ( -1.995 14.175 0.129) 14.315 9.326 ( -1.162 13.783 -1.397) 13.902 9.851 ( -0.950 1.098 1.353) 1.984 9.906 ( -1.713 1.667 -4.165) 4.802 10.192 ( 0.307 10.829 6.558) 12.664 10.309 ( 4.423 8.308 -4.505) 10.435 10.461 ( 5.014 2.870 0.777) 5.830 10.537 ( -1.200 -1.010 -5.875) 6.081 10.662 ( -10.611 7.185 9.696) 16.069 10.739 ( -3.674 -0.669 1.745) 4.122 10.852 ( -4.300 5.786 -5.193) 8.885 10.902 ( -4.968 9.197 -6.345) 12.228 11.271 ( 1.463 5.825 1.412) 6.169 11.330 ( -1.565 4.539 -3.071) 5.699 11.444 ( 1.573 4.710 -2.287) 5.467 11.457 ( 0.752 3.839 -2.829) 4.828 12.626 ( 3.221 -5.731 4.227) 7.816 12.681 ( 3.074 -4.955 -0.973) 5.912 12.843 ( 4.111 2.956 5.320) 7.345 12.917 ( 6.061 7.047 -1.431) 9.404 13.110 ( -4.728 -5.097 5.047) 8.591 13.203 ( -3.673 -5.583 -3.748) 7.662 13.560 ( 1.612 -6.592 12.499) 14.223 13.696 ( -3.998 -11.626 2.248) 12.498 13.775 ( 1.631 -7.546 -0.768) 7.759 13.878 ( -2.065 -3.445 -11.659) 12.331 14.247 ( 0.797 14.345 -0.153) 14.368 14.350 ( -3.124 13.516 -10.093) 17.155 14.694 ( 1.651 -2.216 1.066) 2.961 14.740 ( 0.927 -1.903 -2.761) 3.479 15.708 ( 1.551 -3.265 12.150) 12.676 15.863 ( -6.264 -2.860 -0.184) 6.889 16.201 ( 7.967 -5.844 -2.438) 10.177 16.297 ( 2.267 -5.341 -8.831) 10.566 17.021 ( -3.537 -5.520 0.104) 6.557 17.028 ( -3.526 -5.727 -0.848) 6.779 17.403 ( 3.511 -3.062 6.062) 7.645 17.491 ( -0.334 -2.564 -2.387) 3.519 17.985 ( 0.860 -3.046 3.546) 4.753 18.014 ( -0.247 -3.495 0.867) 3.609 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -7.674 11.859 12.664) 18.971 1.826 ( 7.674 11.859 12.664) 18.971 1.925 ( -8.074 8.821 14.709) 18.957 1.925 ( 8.074 8.821 14.709) 18.957 2.117 ( -2.919 4.956 -9.130) 10.791 2.117 ( 2.919 4.956 -9.130) 10.791 2.245 ( -1.160 0.794 -9.392) 9.496 2.245 ( 1.160 0.794 -9.392) 9.496 2.348 ( -0.926 2.350 -0.446) 2.565 2.348 ( 0.926 2.350 -0.446) 2.565 2.718 ( -1.871 -0.096 -0.619) 1.973 2.718 ( 1.871 -0.096 -0.619) 1.973 2.829 ( -5.272 1.721 3.317) 6.462 2.829 ( 5.272 1.721 3.317) 6.462 2.906 ( -4.266 0.700 -2.105) 4.808 2.906 ( 4.266 0.700 -2.105) 4.808 3.050 ( -2.015 8.017 -2.949) 8.776 3.050 ( 2.015 8.017 -2.949) 8.776 3.416 ( -1.043 -0.132 -1.733) 2.027 3.416 ( 1.043 -0.132 -1.733) 2.027 3.625 ( -8.547 -0.686 13.187) 15.730 3.625 ( 8.547 -0.686 13.187) 15.730 3.740 ( -3.983 -1.575 1.053) 4.411 3.740 ( 3.983 -1.575 1.053) 4.411 3.873 ( -0.591 11.935 2.817) 12.277 3.873 ( 0.591 11.935 2.817) 12.277 3.968 ( -4.906 3.336 -1.998) 6.260 3.968 ( 4.906 3.336 -1.998) 6.260 4.166 ( -3.761 0.480 0.987) 3.918 4.166 ( 3.761 0.480 0.987) 3.918 4.283 ( -3.389 0.892 -4.917) 6.038 4.283 ( 3.389 0.892 -4.917) 6.038 4.405 ( -3.441 14.289 3.262) 15.055 4.405 ( 3.441 14.289 3.262) 15.055 4.600 ( -3.289 7.829 -4.667) 9.689 4.600 ( 3.289 7.829 -4.667) 9.689 4.917 ( -0.285 0.958 1.310) 1.647 4.917 ( 0.285 0.958 1.310) 1.647 5.007 ( -1.527 2.308 -6.755) 7.300 5.007 ( 1.527 2.308 -6.755) 7.300 5.408 ( -1.496 -0.231 1.421) 2.076 5.408 ( 1.496 -0.231 1.421) 2.076 5.611 ( -1.731 9.530 2.155) 9.923 5.611 ( 1.731 9.530 2.155) 9.923 5.745 ( -1.363 3.794 0.581) 4.073 5.745 ( 1.363 3.794 0.581) 4.073 5.934 ( -3.309 4.307 -1.431) 5.617 5.934 ( 3.309 4.307 -1.431) 5.617 6.708 ( -2.311 1.894 1.989) 3.590 6.708 ( 2.311 1.894 1.989) 3.590 7.021 ( -2.652 0.077 1.678) 3.139 7.021 ( 2.652 0.077 1.678) 3.139 7.125 ( -0.609 1.222 -3.840) 4.075 7.125 ( 0.609 1.222 -3.840) 4.075 7.245 ( -4.180 6.509 -4.796) 9.101 7.245 ( 4.180 6.509 -4.796) 9.101 7.837 ( -3.024 0.335 5.406) 6.203 7.837 ( 3.024 0.335 5.406) 6.203 7.961 ( -6.567 1.784 -0.933) 6.868 7.961 ( 6.567 1.784 -0.933) 6.868 8.076 ( -2.040 12.239 3.803) 12.978 8.076 ( 2.040 12.239 3.803) 12.978 8.610 ( -5.493 3.905 -8.400) 10.769 8.610 ( 5.493 3.905 -8.400) 10.769 9.143 ( -2.822 -1.302 3.223) 4.477 9.143 ( 2.822 -1.302 3.223) 4.477 9.191 ( -2.090 11.840 1.535) 12.120 9.191 ( 2.090 11.840 1.535) 12.120 9.288 ( -1.903 17.580 0.443) 17.689 9.288 ( 1.903 17.580 0.443) 17.689 9.844 ( -2.282 2.047 -1.958) 3.637 9.844 ( 2.282 2.047 -1.958) 3.637 10.317 ( -9.080 6.585 5.231) 12.376 10.317 ( 9.080 6.585 5.231) 12.376 10.484 ( -3.055 2.819 0.347) 4.171 10.484 ( 3.055 2.819 0.347) 4.171 10.629 ( -8.159 5.500 -4.582) 10.854 10.629 ( 8.159 5.500 -4.582) 10.854 10.814 ( -2.238 6.015 -4.306) 7.729 10.814 ( 2.238 6.015 -4.306) 7.729 11.301 ( -1.371 5.796 0.125) 5.957 11.301 ( 1.371 5.796 0.125) 5.957 11.464 ( -0.289 3.375 -2.740) 4.357 11.464 ( 0.289 3.375 -2.740) 4.357 12.695 ( -2.356 -6.485 2.248) 7.257 12.695 ( 2.356 -6.485 2.248) 7.257 12.944 ( -4.585 2.775 6.515) 8.436 12.944 ( 4.585 2.775 6.515) 8.436 13.102 ( -5.046 -3.217 -4.429) 7.445 13.102 ( 5.046 -3.217 -4.429) 7.445 13.611 ( -3.596 -11.077 6.537) 13.355 13.611 ( 3.596 -11.077 6.537) 13.355 13.825 ( -2.896 -5.018 -4.145) 7.123 13.825 ( 2.896 -5.018 -4.145) 7.123 14.284 ( -2.833 13.979 -7.375) 16.057 14.284 ( 2.833 13.979 -7.375) 16.057 14.733 ( -1.514 -1.431 0.423) 2.126 14.733 ( 1.514 -1.431 0.423) 2.126 15.761 ( -3.759 -2.551 5.587) 7.201 15.761 ( 3.759 -2.551 5.587) 7.201 16.310 ( -2.129 -6.698 -5.559) 8.960 16.310 ( 2.129 -6.698 -5.559) 8.960 16.979 ( -0.279 -4.810 -0.568) 4.851 16.979 ( 0.279 -4.810 -0.568) 4.851 17.466 ( -2.298 -2.850 2.108) 4.224 17.466 ( 2.298 -2.850 2.108) 4.224 18.004 ( -0.783 -3.387 2.144) 4.084 18.004 ( 0.783 -3.387 2.144) 4.084 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 0.000 4.438 15.844) 16.454 1.941 ( 0.000 8.319 7.919) 11.485 2.169 ( 0.000 4.270 -1.986) 4.709 2.203 ( 0.000 4.708 -4.766) 6.699 2.231 ( 0.000 -1.291 4.721) 4.895 2.274 ( 0.000 -0.773 1.389) 1.590 2.345 ( 0.000 3.319 2.130) 3.944 2.435 ( 0.000 1.470 -5.514) 5.707 2.507 ( 0.000 0.932 1.991) 2.198 2.575 ( 0.000 1.733 -3.931) 4.296 2.667 ( 0.000 3.264 -1.860) 3.757 2.682 ( 0.000 6.073 -1.017) 6.157 2.791 ( 0.000 10.674 1.583) 10.791 2.847 ( 0.000 4.510 -1.711) 4.824 2.870 ( 0.000 3.390 6.224) 7.087 2.994 ( 0.000 -0.775 -4.789) 4.852 3.218 ( 0.000 5.921 5.140) 7.841 3.222 ( 0.000 5.909 1.847) 6.191 3.255 ( 0.000 6.729 2.505) 7.181 3.297 ( 0.000 12.285 1.397) 12.364 3.365 ( 0.000 2.192 1.084) 2.446 3.460 ( 0.000 -6.073 -2.638) 6.621 3.775 ( 0.000 -9.390 -0.604) 9.410 3.785 ( 0.000 -10.796 0.778) 10.824 3.889 ( 0.000 2.118 -2.121) 2.997 3.907 ( 0.000 -0.152 -2.455) 2.460 4.005 ( 0.000 -3.025 2.313) 3.807 4.089 ( 0.000 -0.136 -5.353) 5.355 4.266 ( 0.000 11.337 1.898) 11.495 4.322 ( 0.000 2.518 -3.583) 4.380 4.501 ( 0.000 3.570 8.118) 8.868 4.601 ( 0.000 0.604 0.559) 0.823 4.615 ( 0.000 0.296 -0.448) 0.537 4.664 ( 0.000 4.429 -7.303) 8.541 4.758 ( 0.000 21.002 4.171) 21.412 4.784 ( 0.000 10.141 0.955) 10.186 4.890 ( 0.000 4.546 0.423) 4.566 4.930 ( 0.000 9.950 -2.394) 10.234 5.146 ( 0.000 8.934 0.231) 8.937 5.175 ( 0.000 11.563 -2.431) 11.816 5.456 ( 0.000 9.066 2.110) 9.308 5.465 ( 0.000 5.740 1.682) 5.981 5.771 ( 0.000 7.801 4.220) 8.869 5.835 ( 0.000 9.565 4.289) 10.483 5.836 ( 0.000 14.561 -4.665) 15.290 5.899 ( 0.000 8.862 4.844) 10.100 5.926 ( 0.000 6.968 -2.654) 7.456 6.013 ( 0.000 3.853 -6.487) 7.545 6.725 ( 0.000 -1.162 5.989) 6.100 6.885 ( 0.000 4.207 -8.806) 9.759 6.949 ( 0.000 -2.274 1.926) 2.980 7.012 ( 0.000 2.514 -2.654) 3.655 7.081 ( 0.000 -1.249 -1.132) 1.685 7.128 ( 0.000 2.675 -3.556) 4.450 7.451 ( 0.000 2.924 1.067) 3.113 7.462 ( 0.000 6.924 1.000) 6.995 7.874 ( 0.000 7.370 -3.714) 8.253 7.920 ( 0.000 1.863 -5.912) 6.199 7.939 ( 0.000 17.004 11.364) 20.452 8.181 ( 0.000 15.341 -11.227) 19.010 8.324 ( 0.000 6.889 9.458) 11.701 8.501 ( 0.000 12.750 -5.756) 13.989 8.812 ( 0.000 3.392 7.029) 7.805 8.828 ( 0.000 7.788 3.162) 8.405 8.843 ( 0.000 -3.572 0.339) 3.588 8.876 ( 0.000 -3.665 -3.172) 4.847 9.259 ( 0.000 9.800 3.205) 10.311 9.370 ( 0.000 5.519 -8.244) 9.921 9.658 ( 0.000 19.930 0.911) 19.951 9.675 ( 0.000 21.391 -0.703) 21.402 9.982 ( 0.000 13.472 6.312) 14.877 10.120 ( 0.000 15.474 -6.026) 16.606 10.376 ( 0.000 3.902 4.932) 6.289 10.449 ( 0.000 0.292 1.318) 1.350 10.554 ( 0.000 13.003 3.154) 13.380 10.638 ( 0.000 12.914 -5.262) 13.945 10.719 ( 0.000 8.115 4.424) 9.242 10.964 ( 0.000 6.585 -14.539) 15.961 11.069 ( 0.000 9.179 11.140) 14.434 11.182 ( 0.000 15.273 1.918) 15.393 11.420 ( 0.000 5.157 -6.026) 7.932 11.423 ( 0.000 11.019 -3.854) 11.674 11.563 ( 0.000 8.019 0.796) 8.059 11.617 ( 0.000 12.523 -4.181) 13.203 12.535 ( 0.000 -2.284 1.213) 2.586 12.542 ( 0.000 -5.569 1.237) 5.705 12.869 ( 0.000 -3.075 4.242) 5.239 12.917 ( 0.000 5.869 1.901) 6.169 13.032 ( 0.000 -13.080 -0.054) 13.080 13.083 ( 0.000 -4.537 -1.517) 4.784 13.454 ( 0.000 -7.258 11.519) 13.615 13.525 ( 0.000 -11.552 0.064) 11.552 13.616 ( 0.000 -2.823 -1.358) 3.132 13.845 ( 0.000 -2.507 -17.473) 17.652 14.498 ( 0.000 7.641 6.207) 9.844 14.588 ( 0.000 -6.486 -2.706) 7.028 14.677 ( 0.000 2.593 -3.837) 4.631 14.679 ( 0.000 15.648 -5.282) 16.516 15.595 ( 0.000 -5.725 14.349) 15.449 15.855 ( 0.000 -8.882 -11.048) 14.175 15.976 ( 0.000 -3.675 6.350) 7.337 16.153 ( 0.000 -7.015 -9.929) 12.157 16.857 ( 0.000 -14.638 -0.052) 14.639 16.879 ( 0.000 -13.328 -2.237) 13.515 17.321 ( 0.000 -0.247 9.339) 9.342 17.455 ( 0.000 -0.959 -3.852) 3.969 17.897 ( 0.000 -5.198 3.631) 6.340 17.920 ( 0.000 -6.231 1.435) 6.394 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 1.396 5.474 16.001) 16.969 2.003 ( 4.173 5.619 3.895) 8.010 2.121 ( -5.050 6.216 2.628) 8.429 2.197 ( -0.219 2.896 -1.605) 3.318 2.205 ( -1.762 0.410 4.927) 5.249 2.259 ( -2.689 3.693 0.934) 4.663 2.300 ( -2.480 1.591 -3.608) 4.658 2.343 ( -8.505 0.584 -4.462) 9.622 2.439 ( -4.700 5.762 1.112) 7.518 2.475 ( -2.436 4.268 -2.826) 5.669 2.685 ( 3.993 2.128 1.019) 4.638 2.748 ( 2.173 1.479 -4.923) 5.581 2.832 ( 1.226 6.030 1.059) 6.244 2.859 ( -0.466 5.485 -1.022) 5.599 2.963 ( 6.082 3.181 2.270) 7.229 3.015 ( 1.096 4.190 -2.246) 4.879 3.176 ( -0.597 8.510 3.039) 9.056 3.219 ( -0.074 4.819 -1.346) 5.004 3.297 ( 2.311 1.305 3.644) 4.508 3.360 ( 1.054 0.802 -2.250) 2.611 3.455 ( 11.970 5.627 9.466) 16.265 3.552 ( 6.900 -3.907 -0.461) 7.943 3.702 ( -3.468 -4.844 2.906) 6.628 3.806 ( -0.067 -6.526 -4.859) 8.137 3.886 ( -1.300 1.655 -0.694) 2.216 3.899 ( -0.435 -0.245 -1.438) 1.523 4.017 ( 1.012 -5.055 2.085) 5.561 4.082 ( -0.359 -2.700 -3.940) 4.790 4.198 ( -8.521 3.092 6.256) 11.014 4.279 ( -4.866 2.463 -3.219) 6.333 4.373 ( -3.571 8.613 2.749) 9.721 4.460 ( -6.689 3.354 -3.752) 8.371 4.708 ( 3.962 7.359 1.449) 8.482 4.754 ( 1.357 12.144 -1.345) 12.293 4.778 ( 2.783 18.811 3.432) 19.323 4.856 ( 3.886 8.582 -2.219) 9.679 4.885 ( 0.520 4.428 0.566) 4.494 4.922 ( 0.292 3.134 -2.186) 3.832 5.148 ( -0.134 8.608 -1.030) 8.671 5.163 ( -0.884 12.236 -2.793) 12.581 5.435 ( 0.272 7.098 3.737) 8.027 5.485 ( -0.190 6.685 -0.158) 6.689 5.788 ( 1.240 6.939 3.891) 8.051 5.821 ( -0.867 8.306 1.425) 8.472 5.850 ( 0.572 14.342 -1.830) 14.470 5.866 ( -1.673 3.950 -0.098) 4.291 5.968 ( 3.259 10.668 2.082) 11.348 6.039 ( 1.573 6.490 -4.312) 7.949 6.708 ( -0.530 -0.085 4.756) 4.787 6.830 ( -4.279 2.398 -4.583) 6.713 6.981 ( 1.607 -2.184 -2.977) 4.027 7.016 ( -0.158 0.239 -4.644) 4.653 7.116 ( 3.176 1.803 -0.042) 3.653 7.155 ( 1.980 1.980 -3.143) 4.210 7.392 ( -2.914 5.221 0.718) 6.022 7.445 ( -3.656 3.764 -3.494) 6.304 7.828 ( 0.340 5.690 4.469) 7.243 7.934 ( 0.805 4.823 -3.881) 6.243 7.974 ( 0.162 12.874 8.945) 15.678 8.173 ( -2.885 9.854 -8.679) 13.444 8.313 ( -0.233 11.748 8.100) 14.272 8.466 ( -0.095 18.376 -4.540) 18.928 8.664 ( -3.659 3.675 3.499) 6.256 8.795 ( -2.440 3.206 -5.807) 7.068 8.957 ( 5.350 -2.450 5.541) 8.083 9.053 ( 7.416 -0.056 -1.988) 7.678 9.332 ( 6.423 9.153 5.548) 12.483 9.438 ( 3.933 8.253 -4.459) 10.172 9.671 ( 1.700 22.769 1.347) 22.872 9.698 ( 3.865 22.025 -2.038) 22.454 9.981 ( -1.163 12.284 3.375) 12.792 10.079 ( -4.927 14.054 -4.811) 15.650 10.341 ( -1.167 5.398 5.346) 7.686 10.428 ( 0.371 1.271 -3.504) 3.745 10.604 ( -1.221 10.520 -0.214) 10.593 10.657 ( 2.726 17.569 -0.856) 17.800 10.689 ( -0.076 1.032 3.445) 3.598 10.899 ( -4.289 10.497 -6.333) 12.988 10.953 ( -7.031 7.231 7.399) 12.508 11.159 ( -5.683 13.715 -6.835) 16.344 11.424 ( 3.792 9.533 0.711) 10.284 11.495 ( 2.779 13.421 -4.529) 14.435 11.555 ( -0.614 6.704 0.146) 6.734 11.600 ( -1.414 11.556 -3.941) 12.291 12.519 ( 0.714 -5.565 4.327) 7.085 12.586 ( 1.676 -4.788 -2.100) 5.490 12.810 ( -2.068 -6.994 9.656) 12.100 12.950 ( -5.769 -11.594 0.221) 12.951 13.032 ( 6.603 4.356 -0.022) 7.910 13.120 ( 2.190 -2.541 -4.268) 5.429 13.406 ( -3.116 -9.082 8.317) 12.703 13.477 ( -4.457 -10.711 -0.357) 11.607 13.651 ( 2.987 -3.924 -0.446) 4.951 13.803 ( -3.639 -3.493 -12.570) 13.545 14.485 ( -0.297 5.956 0.803) 6.017 14.552 ( -3.075 0.018 -5.784) 6.551 14.693 ( 3.392 7.694 1.384) 8.522 14.743 ( 2.229 7.023 -2.744) 7.863 15.623 ( 2.602 -5.070 11.136) 12.509 15.783 ( -4.702 -5.354 -2.826) 7.666 16.058 ( 5.297 -7.920 -0.798) 9.561 16.159 ( 0.264 -8.281 -8.394) 11.795 16.837 ( -1.408 -12.911 -0.310) 12.991 16.856 ( -1.891 -12.114 -2.229) 12.462 17.356 ( 2.924 -1.059 7.327) 7.959 17.448 ( -0.791 -1.314 -1.731) 2.313 17.901 ( 0.404 -5.502 3.267) 6.412 17.918 ( -0.230 -6.215 1.702) 6.448 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -7.967 4.523 10.669) 14.063 1.943 ( 7.967 4.523 10.669) 14.063 2.126 ( -5.322 4.766 1.857) 7.382 2.126 ( 5.322 4.766 1.857) 7.382 2.204 ( -1.198 4.454 -0.528) 4.643 2.204 ( 1.198 4.454 -0.528) 4.643 2.265 ( -0.855 2.396 -1.681) 3.050 2.265 ( 0.855 2.396 -1.681) 3.050 2.424 ( -1.849 4.398 -1.894) 5.133 2.424 ( 1.849 4.398 -1.894) 5.133 2.762 ( -2.106 3.132 -2.712) 4.648 2.762 ( 2.106 3.132 -2.712) 4.648 2.837 ( -0.732 -0.809 -0.916) 1.425 2.837 ( 0.732 -0.809 -0.916) 1.425 3.023 ( -0.908 10.674 -0.057) 10.713 3.023 ( 0.908 10.674 -0.057) 10.713 3.200 ( -2.029 6.329 1.364) 6.785 3.200 ( 2.029 6.329 1.364) 6.785 3.354 ( -1.959 -6.255 0.114) 6.556 3.354 ( 1.959 -6.255 0.114) 6.556 3.642 ( -2.706 -2.581 2.162) 4.319 3.642 ( 2.706 -2.581 2.162) 4.319 3.729 ( -10.467 4.927 4.980) 12.595 3.729 ( 10.467 4.927 4.980) 12.595 3.891 ( -3.024 -2.215 -0.060) 3.750 3.891 ( 3.024 -2.215 -0.060) 3.750 4.010 ( -2.400 -2.216 2.715) 4.247 4.010 ( 2.400 -2.216 2.715) 4.247 4.156 ( -4.992 -4.240 -2.083) 6.873 4.156 ( 4.992 -4.240 -2.083) 6.873 4.375 ( -2.355 11.289 -2.860) 11.881 4.375 ( 2.355 11.289 -2.860) 11.881 4.758 ( -1.051 11.477 1.073) 11.574 4.758 ( 1.051 11.477 1.073) 11.574 4.825 ( -2.659 15.161 -0.455) 15.399 4.825 ( 2.659 15.161 -0.455) 15.399 4.940 ( -1.153 1.522 -0.682) 2.028 4.940 ( 1.153 1.522 -0.682) 2.028 5.148 ( -0.521 10.119 -3.054) 10.583 5.148 ( 0.521 10.119 -3.054) 10.583 5.461 ( -1.712 6.351 2.145) 6.919 5.461 ( 1.712 6.351 2.145) 6.919 5.804 ( -0.730 4.458 1.514) 4.765 5.804 ( 0.730 4.458 1.514) 4.765 5.853 ( -0.396 11.123 -0.794) 11.159 5.853 ( 0.396 11.123 -0.794) 11.159 6.035 ( -2.336 9.412 0.628) 9.718 6.035 ( 2.336 9.412 0.628) 9.718 6.740 ( -3.746 1.372 -0.660) 4.043 6.740 ( 3.746 1.372 -0.660) 4.043 7.003 ( -0.864 -1.884 -4.476) 4.933 7.003 ( 0.864 -1.884 -4.476) 4.933 7.171 ( -1.249 2.093 -1.536) 2.881 7.171 ( 1.249 2.093 -1.536) 2.881 7.373 ( -1.766 4.501 -2.562) 5.472 7.373 ( 1.766 4.501 -2.562) 5.472 7.890 ( -4.171 5.325 5.670) 8.826 7.890 ( 4.171 5.325 5.670) 8.826 8.041 ( -6.902 6.748 -2.822) 10.056 8.041 ( 6.902 6.748 -2.822) 10.056 8.399 ( -6.927 19.589 8.308) 22.377 8.399 ( 6.927 19.589 8.308) 22.377 8.710 ( -5.775 6.353 -9.383) 12.718 8.710 ( 5.775 6.353 -9.383) 12.718 9.068 ( -4.513 -3.969 2.980) 6.708 9.068 ( 4.513 -3.969 2.980) 6.708 9.443 ( -3.041 12.228 1.668) 12.711 9.443 ( 3.041 12.228 1.668) 12.711 9.761 ( -3.595 25.224 2.334) 25.586 9.761 ( 3.595 25.224 2.334) 25.586 9.954 ( -3.792 9.182 -3.764) 10.623 9.954 ( 3.792 9.182 -3.764) 10.623 10.395 ( -4.645 4.126 -1.328) 6.353 10.395 ( 4.645 4.126 -1.328) 6.353 10.609 ( -4.351 6.526 -2.639) 8.275 10.609 ( 4.351 6.526 -2.639) 8.275 10.776 ( -6.469 11.454 9.765) 16.382 10.776 ( 6.469 11.454 9.765) 16.382 10.991 ( -8.704 11.012 -8.798) 16.566 10.991 ( 8.704 11.012 -8.798) 16.566 11.498 ( -2.419 13.689 -0.213) 13.902 11.498 ( 2.419 13.689 -0.213) 13.902 11.567 ( -1.689 8.544 -3.268) 9.302 11.567 ( 1.689 8.544 -3.268) 9.302 12.567 ( -3.163 -6.870 3.296) 8.250 12.567 ( 3.163 -6.870 3.296) 8.250 12.833 ( -4.573 -10.979 4.584) 12.745 12.833 ( 4.573 -10.979 4.584) 12.745 13.132 ( -2.287 2.566 -3.399) 4.835 13.132 ( 2.287 2.566 -3.399) 4.835 13.391 ( -2.552 -11.024 2.978) 11.701 13.391 ( 2.552 -11.024 2.978) 11.701 13.722 ( -3.927 -4.512 -4.718) 7.618 13.722 ( 3.927 -4.512 -4.718) 7.618 14.500 ( -1.777 3.973 -4.166) 6.025 14.500 ( 1.777 3.973 -4.166) 6.025 14.750 ( -1.524 6.961 0.820) 7.173 14.750 ( 1.524 6.961 0.820) 7.173 15.693 ( -4.071 -4.268 4.241) 7.264 15.693 ( 4.071 -4.268 4.241) 7.264 16.141 ( -2.474 -9.766 -4.950) 11.225 16.141 ( 2.474 -9.766 -4.950) 11.225 16.826 ( -0.611 -11.108 -1.476) 11.222 16.826 ( 0.611 -11.108 -1.476) 11.222 17.415 ( -2.492 -1.630 2.896) 4.154 17.415 ( 2.492 -1.630 2.896) 4.154 17.911 ( -0.482 -6.003 2.432) 6.494 17.911 ( 0.482 -6.003 2.432) 6.494 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 0.000 4.774 10.836) 11.840 2.055 ( 0.000 4.100 0.554) 4.137 2.182 ( 0.000 -2.245 4.194) 4.757 2.208 ( 0.000 0.238 0.163) 0.289 2.283 ( 0.000 2.219 2.707) 3.500 2.296 ( 0.000 3.554 0.249) 3.563 2.423 ( 0.000 3.713 0.690) 3.777 2.453 ( 0.000 1.920 -2.228) 2.942 2.531 ( 0.000 2.284 3.828) 4.458 2.620 ( 0.000 1.321 -3.270) 3.527 2.735 ( 0.000 2.782 0.597) 2.846 2.755 ( 0.000 2.916 -0.811) 3.027 2.851 ( 0.000 0.547 5.642) 5.669 2.933 ( 0.000 2.264 1.208) 2.566 2.946 ( 0.000 2.882 -1.093) 3.083 2.997 ( 0.000 1.553 -7.335) 7.497 3.198 ( 0.000 -7.731 2.082) 8.006 3.225 ( 0.000 -3.446 -0.663) 3.509 3.383 ( 0.000 3.676 4.087) 5.497 3.402 ( 0.000 0.684 0.569) 0.890 3.441 ( 0.000 2.093 0.441) 2.139 3.529 ( 0.000 -5.548 -5.809) 8.033 3.589 ( 0.000 -6.613 0.843) 6.667 3.616 ( 0.000 1.955 -1.104) 2.245 3.891 ( 0.000 -1.428 0.823) 1.649 3.911 ( 0.000 4.449 -0.674) 4.499 4.011 ( 0.000 2.246 3.196) 3.906 4.104 ( 0.000 2.614 -5.815) 6.375 4.380 ( 0.000 7.676 5.627) 9.517 4.490 ( 0.000 11.314 -2.424) 11.570 4.567 ( 0.000 3.508 5.618) 6.623 4.613 ( 0.000 0.557 0.192) 0.589 4.624 ( 0.000 0.417 -0.242) 0.482 4.687 ( 0.000 1.416 -6.009) 6.173 4.877 ( 0.000 2.155 -0.411) 2.194 4.904 ( 0.000 1.453 -2.643) 3.016 5.102 ( 0.000 10.027 2.853) 10.425 5.129 ( 0.000 6.749 0.208) 6.752 5.319 ( 0.000 7.416 2.644) 7.873 5.367 ( 0.000 6.587 -1.602) 6.779 5.541 ( 0.000 -0.131 2.929) 2.932 5.584 ( 0.000 1.355 -0.826) 1.587 5.682 ( 0.000 -7.172 5.764) 9.201 5.791 ( 0.000 -10.985 -4.617) 11.916 6.182 ( 0.000 20.246 2.936) 20.457 6.240 ( 0.000 24.340 -4.209) 24.702 6.263 ( 0.000 22.363 3.997) 22.718 6.333 ( 0.000 18.903 -2.447) 19.061 6.721 ( 0.000 0.647 8.820) 8.844 6.906 ( 0.000 -1.903 1.963) 2.734 6.916 ( 0.000 0.347 -7.801) 7.809 6.986 ( 0.000 -3.067 -5.831) 6.589 7.090 ( 0.000 -0.458 -2.507) 2.549 7.146 ( 0.000 -0.908 -5.585) 5.659 7.455 ( 0.000 -2.977 2.791) 4.081 7.493 ( 0.000 -3.509 -1.069) 3.668 7.997 ( 0.000 6.231 -1.953) 6.530 8.061 ( 0.000 11.350 -7.565) 13.640 8.234 ( 0.000 7.689 6.698) 10.197 8.411 ( 0.000 6.558 -7.188) 9.730 8.494 ( 0.000 8.842 9.732) 13.149 8.691 ( 0.000 -1.121 -9.657) 9.722 8.792 ( 0.000 1.812 -0.028) 1.812 8.793 ( 0.000 4.997 -1.997) 5.381 8.920 ( 0.000 7.140 7.809) 10.581 9.031 ( 0.000 8.479 -0.614) 8.501 9.424 ( 0.000 7.348 3.249) 8.034 9.470 ( 0.000 6.653 -2.364) 7.060 10.023 ( 0.000 9.039 8.113) 12.146 10.048 ( 0.000 16.260 3.123) 16.558 10.203 ( 0.000 9.577 -0.332) 9.583 10.334 ( 0.000 -0.802 -5.121) 5.183 10.492 ( 0.000 14.766 8.810) 17.194 10.568 ( 0.000 16.800 5.725) 17.748 10.799 ( 0.000 9.799 -4.278) 10.693 10.838 ( 0.000 9.121 -8.239) 12.291 11.002 ( 0.000 13.161 5.285) 14.183 11.138 ( 0.000 10.696 -9.340) 14.200 11.284 ( 0.000 12.538 3.872) 13.122 11.433 ( 0.000 6.324 -7.793) 10.036 11.548 ( 0.000 9.631 5.024) 10.863 11.646 ( 0.000 10.890 -3.107) 11.325 11.848 ( 0.000 22.387 2.290) 22.504 11.939 ( 0.000 21.204 -5.828) 21.990 12.433 ( 0.000 -5.049 2.382) 5.582 12.480 ( 0.000 -3.992 -2.657) 4.795 12.725 ( 0.000 -9.944 2.274) 10.201 12.749 ( 0.000 -15.206 1.928) 15.328 12.967 ( 0.000 -7.836 2.590) 8.253 12.995 ( 0.000 0.349 -1.221) 1.270 13.270 ( 0.000 -10.550 7.895) 13.177 13.299 ( 0.000 -10.980 1.494) 11.081 13.672 ( 0.000 7.488 -3.175) 8.134 13.830 ( 0.000 1.839 -15.367) 15.477 14.415 ( 0.000 -11.195 -2.250) 11.419 14.431 ( 0.000 -9.331 -3.089) 9.829 14.909 ( 0.000 15.367 4.555) 16.028 14.989 ( 0.000 15.649 -3.756) 16.093 15.495 ( 0.000 -3.969 10.277) 11.016 15.661 ( 0.000 -10.612 -6.195) 12.288 15.911 ( 0.000 -3.165 0.685) 3.238 16.005 ( 0.000 -7.901 -7.233) 10.712 16.547 ( 0.000 -15.605 0.640) 15.619 16.593 ( 0.000 -14.651 -3.949) 15.174 17.350 ( 0.000 3.270 8.580) 9.182 17.461 ( 0.000 1.714 -2.344) 2.903 17.777 ( 0.000 -8.339 2.880) 8.822 17.777 ( 0.000 -6.852 2.713) 7.370 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 1.660 5.278 9.969) 11.401 2.068 ( 0.461 2.406 -0.970) 2.635 2.145 ( -2.432 -1.765 2.805) 4.111 2.198 ( -1.859 -1.492 -1.234) 2.684 2.278 ( 1.054 5.477 4.592) 7.225 2.325 ( 1.277 3.264 -0.333) 3.520 2.362 ( -4.225 3.581 1.696) 5.793 2.386 ( -4.978 4.511 -1.185) 6.822 2.523 ( -1.126 3.068 2.574) 4.160 2.575 ( -4.105 5.977 -0.832) 7.299 2.729 ( 3.235 2.162 0.822) 3.976 2.776 ( 1.203 1.605 -2.423) 3.145 2.839 ( -1.703 -2.455 1.842) 3.510 2.900 ( -3.692 0.105 -4.150) 5.555 3.002 ( 6.664 -0.322 5.518) 8.658 3.105 ( 4.915 -2.351 -3.311) 6.375 3.215 ( 2.014 -1.942 1.549) 3.198 3.246 ( 0.522 -0.644 -0.591) 1.018 3.321 ( -3.468 -0.343 2.936) 4.556 3.372 ( -2.867 2.518 -2.168) 4.389 3.492 ( 4.630 -1.607 1.181) 5.041 3.533 ( 1.190 -3.440 -2.495) 4.413 3.663 ( 4.463 -6.745 -0.820) 8.129 3.673 ( 4.456 -0.993 -0.640) 4.610 3.893 ( 0.269 -2.440 2.331) 3.385 3.928 ( 0.825 5.643 -1.001) 5.790 3.990 ( -0.720 -0.077 1.746) 1.891 4.040 ( -4.663 2.371 -3.099) 6.080 4.312 ( -7.403 6.152 3.463) 10.229 4.321 ( -9.707 11.245 4.018) 15.389 4.533 ( 1.214 6.854 1.088) 7.045 4.606 ( -0.206 10.308 -5.583) 11.725 4.764 ( 7.079 0.514 1.625) 7.281 4.818 ( 5.859 -0.625 -3.089) 6.652 4.898 ( 1.981 1.531 -0.246) 2.516 4.921 ( 1.858 0.680 -2.147) 2.920 5.110 ( 0.871 9.470 1.979) 9.714 5.120 ( 0.274 9.131 0.483) 9.147 5.281 ( -3.410 4.656 2.818) 6.422 5.330 ( -3.646 5.563 -1.773) 6.884 5.537 ( 0.457 0.913 3.886) 4.018 5.598 ( 0.027 2.427 -0.743) 2.538 5.677 ( 0.216 -9.122 3.340) 9.717 5.763 ( -2.414 -9.533 -4.159) 10.677 6.211 ( 2.397 21.880 2.859) 22.196 6.262 ( 1.315 24.397 -2.098) 24.522 6.276 ( 1.678 19.723 4.022) 20.199 6.344 ( 0.606 18.964 -1.928) 19.072 6.715 ( 0.347 0.948 6.991) 7.064 6.855 ( -3.839 0.598 -1.675) 4.231 6.938 ( 1.190 -1.546 -4.677) 5.068 6.984 ( -0.453 -2.361 -6.610) 7.033 7.131 ( 3.202 -1.448 -2.683) 4.421 7.161 ( 1.167 -1.292 -4.289) 4.630 7.401 ( -3.603 -3.510 0.835) 5.099 7.448 ( -4.426 -4.050 -3.350) 6.872 7.973 ( 0.577 8.737 2.961) 9.244 8.066 ( -0.386 8.338 -4.548) 9.506 8.201 ( -5.166 7.198 5.203) 10.275 8.323 ( -6.467 4.766 -6.206) 10.151 8.564 ( 6.718 9.774 7.749) 14.167 8.674 ( 3.857 -0.470 -1.958) 4.351 8.824 ( 3.115 10.393 -1.831) 11.003 8.848 ( 2.917 5.095 -3.224) 6.698 8.995 ( 2.473 8.847 7.923) 12.131 9.130 ( 3.384 7.960 -2.817) 9.096 9.474 ( 6.248 5.477 4.031) 9.234 9.536 ( 6.292 3.484 -3.739) 8.106 10.008 ( 2.291 8.604 4.993) 10.208 10.068 ( -0.009 13.220 1.074) 13.264 10.208 ( -2.081 7.684 0.657) 7.988 10.340 ( -4.590 7.100 -8.552) 12.025 10.460 ( 2.188 10.522 8.060) 13.434 10.549 ( -0.195 17.114 0.267) 17.117 10.740 ( -1.535 4.195 2.303) 5.025 10.901 ( -1.342 11.648 -7.376) 13.852 10.991 ( 0.514 13.059 5.972) 14.369 11.062 ( -6.070 13.502 -4.732) 15.542 11.201 ( -2.660 15.131 3.965) 15.867 11.375 ( -4.733 8.126 -9.994) 13.723 11.637 ( 5.428 10.697 3.032) 12.373 11.679 ( 1.982 9.313 -1.160) 9.592 11.874 ( 1.799 22.374 0.344) 22.448 11.937 ( -0.503 22.512 -4.835) 23.031 12.403 ( -1.367 -6.006 4.256) 7.487 12.492 ( -0.581 -5.050 -3.998) 6.467 12.621 ( -5.797 -10.907 6.470) 13.944 12.698 ( -4.476 -13.023 -0.282) 13.774 12.996 ( 2.468 -9.112 3.838) 10.191 13.057 ( 3.349 -5.172 -2.566) 6.675 13.200 ( -4.391 -11.676 5.643) 13.691 13.263 ( -3.601 -11.519 -0.936) 12.105 13.685 ( 1.330 7.260 -2.817) 7.900 13.791 ( -3.163 3.687 -11.438) 12.427 14.415 ( 0.224 -9.720 -2.638) 10.075 14.431 ( -0.140 -9.340 -3.766) 10.071 14.946 ( 3.049 15.313 4.245) 16.181 15.007 ( 0.967 15.601 -1.860) 15.741 15.531 ( 3.187 -3.990 7.069) 8.721 15.648 ( -1.362 -8.480 -4.372) 9.638 15.932 ( 1.921 -4.260 -0.115) 4.675 16.001 ( -0.561 -7.029 -5.855) 9.165 16.545 ( 0.026 -16.004 -0.322) 16.008 16.580 ( -1.133 -15.180 -3.753) 15.678 17.372 ( 1.976 2.783 7.094) 7.873 17.451 ( -1.045 1.691 -0.635) 2.087 17.776 ( -0.046 -7.592 2.863) 8.114 17.777 ( -0.045 -7.627 2.705) 8.093 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( -4.590 3.371 4.377) 7.183 2.022 ( 4.590 3.371 4.377) 7.183 2.142 ( -2.421 -1.237 -1.206) 2.975 2.142 ( 2.421 -1.237 -1.206) 2.975 2.300 ( -1.421 6.226 3.003) 7.057 2.300 ( 1.421 6.226 3.003) 7.057 2.337 ( -1.136 3.905 1.197) 4.240 2.337 ( 1.136 3.905 1.197) 4.240 2.518 ( -1.338 5.209 1.856) 5.689 2.518 ( 1.338 5.209 1.856) 5.689 2.801 ( -0.687 0.162 -3.070) 3.150 2.801 ( 0.687 0.162 -3.070) 3.150 2.818 ( -3.170 -0.355 -1.729) 3.628 2.818 ( 3.170 -0.355 -1.729) 3.628 3.121 ( -3.577 -6.382 3.737) 8.215 3.121 ( 3.577 -6.382 3.737) 8.215 3.235 ( -0.700 0.700 1.633) 1.909 3.235 ( 0.700 0.700 1.633) 1.909 3.318 ( -2.196 4.013 -2.105) 5.035 3.318 ( 2.196 4.013 -2.105) 5.035 3.556 ( -0.682 -4.501 -0.647) 4.598 3.556 ( 0.682 -4.501 -0.647) 4.598 3.721 ( -1.011 -6.017 -1.793) 6.359 3.721 ( 1.011 -6.017 -1.793) 6.359 3.911 ( -1.548 -1.031 1.362) 2.305 3.911 ( 1.548 -1.031 1.362) 2.305 4.000 ( -0.455 -0.245 0.391) 0.648 4.000 ( 0.455 -0.245 0.391) 0.648 4.197 ( -0.901 15.079 4.316) 15.711 4.197 ( 0.901 15.079 4.316) 15.711 4.580 ( -2.263 9.522 -2.414) 10.081 4.580 ( 2.263 9.522 -2.414) 10.081 4.853 ( -1.592 2.224 -1.448) 3.095 4.853 ( 1.592 2.224 -1.448) 3.095 4.938 ( -1.120 0.114 -0.963) 1.481 4.938 ( 1.120 0.114 -0.963) 1.481 5.145 ( -1.909 11.460 1.728) 11.746 5.145 ( 1.909 11.460 1.728) 11.746 5.241 ( -2.968 1.093 -0.132) 3.166 5.241 ( 2.968 1.093 -0.132) 3.166 5.568 ( -2.212 1.766 3.274) 4.327 5.568 ( 2.212 1.766 3.274) 4.327 5.709 ( -2.538 -8.736 -2.647) 9.474 5.709 ( 2.538 -8.736 -2.647) 9.474 6.257 ( -1.586 23.854 2.707) 24.059 6.257 ( 1.586 23.854 2.707) 24.059 6.329 ( -2.302 18.237 0.673) 18.394 6.329 ( 2.302 18.237 0.673) 18.394 6.765 ( -4.305 1.317 1.071) 4.628 6.765 ( 4.305 1.317 1.071) 4.628 6.964 ( -1.312 -1.714 -6.092) 6.463 6.964 ( 1.312 -1.714 -6.092) 6.463 7.175 ( -0.487 -1.560 -2.924) 3.349 7.175 ( 0.487 -1.560 -2.924) 3.349 7.370 ( -1.694 -4.493 -2.712) 5.514 7.370 ( 1.694 -4.493 -2.712) 5.514 8.027 ( -3.800 7.676 3.474) 9.243 8.027 ( 3.800 7.676 3.474) 9.243 8.180 ( -5.213 5.737 -2.402) 8.115 8.180 ( 5.213 5.737 -2.402) 8.115 8.713 ( -5.434 9.173 6.084) 12.276 8.713 ( 5.434 9.173 6.084) 12.276 8.872 ( -1.339 6.642 -1.877) 7.030 8.872 ( 1.339 6.642 -1.877) 7.030 9.063 ( -6.403 8.678 -0.514) 10.797 9.063 ( 6.403 8.678 -0.514) 10.797 9.612 ( -2.439 4.171 1.682) 5.116 9.612 ( 2.439 4.171 1.682) 5.116 10.095 ( -4.278 7.943 -0.653) 9.046 10.095 ( 4.278 7.943 -0.653) 9.046 10.155 ( -7.875 9.668 -3.828) 13.044 10.155 ( 7.875 9.668 -3.828) 13.044 10.561 ( -2.672 11.384 1.560) 11.797 10.561 ( 2.672 11.384 1.560) 11.797 10.763 ( -6.631 9.385 -1.370) 11.572 10.763 ( 6.631 9.385 -1.370) 11.572 11.005 ( -0.574 12.347 6.380) 13.910 11.005 ( 0.574 12.347 6.380) 13.910 11.256 ( -6.392 14.958 -7.145) 17.766 11.256 ( 6.392 14.958 -7.145) 17.766 11.701 ( -0.610 10.967 0.869) 11.018 11.701 ( 0.610 10.967 0.869) 11.018 11.909 ( -1.868 21.399 -2.891) 21.674 11.909 ( 1.868 21.399 -2.891) 21.674 12.422 ( -3.588 -7.763 4.680) 9.749 12.422 ( 3.588 -7.763 4.680) 9.749 12.611 ( -3.245 -10.566 -0.381) 11.060 12.611 ( 3.245 -10.566 -0.381) 11.060 13.053 ( -2.910 -11.220 3.830) 12.207 13.053 ( 2.910 -11.220 3.830) 12.207 13.188 ( -2.974 -10.887 -2.413) 11.541 13.188 ( 2.974 -10.887 -2.413) 11.541 13.727 ( -2.792 6.300 -5.543) 8.844 13.727 ( 2.792 6.300 -5.543) 8.844 14.424 ( -0.491 -8.941 -3.577) 9.643 14.424 ( 0.491 -8.941 -3.577) 9.643 15.001 ( -1.756 15.366 2.018) 15.597 15.001 ( 1.756 15.366 2.018) 15.597 15.602 ( -3.216 -5.152 0.557) 6.099 15.602 ( 3.216 -5.152 0.557) 6.099 15.976 ( -1.952 -5.669 -2.593) 6.532 15.976 ( 1.952 -5.669 -2.593) 6.532 16.555 ( -1.025 -16.091 -2.477) 16.312 16.555 ( 1.025 -16.091 -2.477) 16.312 17.418 ( -2.161 1.990 3.348) 4.455 17.418 ( 2.161 1.990 3.348) 4.455 17.776 ( -0.068 -7.624 2.762) 8.109 17.776 ( 0.068 -7.624 2.762) 8.109 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 0.000 3.937 6.394) 7.508 2.087 ( 0.000 -1.426 1.900) 2.376 2.165 ( 0.000 1.085 1.247) 1.653 2.194 ( 0.000 -1.322 -0.852) 1.573 2.337 ( 0.000 2.161 1.317) 2.531 2.344 ( 0.000 1.310 0.409) 1.373 2.477 ( 0.000 2.384 2.207) 3.249 2.501 ( 0.000 1.231 -0.550) 1.348 2.590 ( 0.000 2.723 4.003) 4.841 2.619 ( 0.000 -0.725 3.001) 3.087 2.758 ( 0.000 0.936 4.392) 4.491 2.788 ( 0.000 -0.155 1.866) 1.872 2.894 ( 0.000 3.140 3.658) 4.821 2.961 ( 0.000 -4.010 -0.794) 4.088 2.980 ( 0.000 1.842 0.652) 1.954 3.002 ( 0.000 1.466 -2.637) 3.017 3.118 ( 0.000 1.096 -0.444) 1.182 3.149 ( 0.000 -2.737 -1.756) 3.252 3.308 ( 0.000 -5.225 -2.070) 5.620 3.338 ( 0.000 -7.863 -4.287) 8.956 3.413 ( 0.000 0.942 0.020) 0.942 3.458 ( 0.000 -2.007 -3.593) 4.115 3.559 ( 0.000 1.463 0.487) 1.542 3.605 ( 0.000 -2.646 -3.628) 4.490 3.898 ( 0.000 2.019 4.870) 5.272 3.940 ( 0.000 -1.748 2.276) 2.870 4.113 ( 0.000 4.582 -3.517) 5.776 4.147 ( 0.000 0.727 -5.542) 5.589 4.612 ( 0.000 1.004 2.248) 2.462 4.617 ( 0.000 3.418 6.313) 7.179 4.631 ( 0.000 2.501 1.323) 2.829 4.642 ( 0.000 1.806 1.791) 2.543 4.655 ( 0.000 12.116 2.216) 12.317 4.776 ( 0.000 4.508 -5.283) 6.945 4.910 ( 0.000 1.673 -2.506) 3.013 4.921 ( 0.000 0.533 -2.707) 2.759 5.204 ( 0.000 2.024 3.385) 3.944 5.226 ( 0.000 3.073 1.436) 3.392 5.351 ( 0.000 -7.990 0.599) 8.013 5.357 ( 0.000 -5.336 0.149) 5.338 5.510 ( 0.000 1.639 0.792) 1.820 5.526 ( 0.000 -1.575 -0.780) 1.758 5.625 ( 0.000 -0.241 1.683) 1.701 5.654 ( 0.000 -3.173 -1.061) 3.346 6.494 ( 0.000 10.452 5.636) 11.874 6.567 ( 0.000 4.407 -0.212) 4.412 6.639 ( 0.000 12.870 0.815) 12.896 6.660 ( 0.000 12.203 -3.303) 12.643 6.775 ( 0.000 6.174 8.343) 10.379 6.894 ( 0.000 1.564 1.381) 2.086 6.904 ( 0.000 -3.784 -0.876) 3.884 6.929 ( 0.000 -1.355 -2.268) 2.642 7.073 ( 0.000 0.312 -8.626) 8.632 7.109 ( 0.000 -2.336 -8.637) 8.948 7.356 ( 0.000 -5.239 0.819) 5.303 7.373 ( 0.000 -6.766 -1.094) 6.854 8.137 ( 0.000 7.254 2.953) 7.832 8.239 ( 0.000 -0.700 5.893) 5.934 8.304 ( 0.000 8.533 -11.045) 13.958 8.449 ( 0.000 -2.414 -10.780) 11.047 8.535 ( 0.000 -1.375 3.019) 3.317 8.564 ( 0.000 -6.320 -1.232) 6.439 8.942 ( 0.000 5.630 -0.665) 5.669 8.943 ( 0.000 6.998 -1.207) 7.102 9.046 ( 0.000 5.521 5.411) 7.730 9.118 ( 0.000 -0.082 -1.337) 1.340 9.543 ( 0.000 4.536 2.746) 5.302 9.574 ( 0.000 2.149 -0.643) 2.243 10.114 ( 0.000 3.524 12.150) 12.651 10.179 ( 0.000 -1.761 6.379) 6.618 10.325 ( 0.000 2.946 1.217) 3.188 10.329 ( 0.000 1.852 2.812) 3.367 10.800 ( 0.000 11.387 1.567) 11.494 10.851 ( 0.000 5.685 0.983) 5.769 10.954 ( 0.000 6.784 -5.624) 8.812 10.964 ( 0.000 3.617 -2.780) 4.562 11.221 ( 0.000 9.243 2.613) 9.606 11.294 ( 0.000 2.858 -0.994) 3.026 11.478 ( 0.000 6.137 -8.912) 10.820 11.493 ( 0.000 2.840 -12.437) 12.757 11.737 ( 0.000 7.468 5.929) 9.536 11.798 ( 0.000 2.791 0.264) 2.803 12.300 ( 0.000 14.215 2.464) 14.427 12.329 ( 0.000 6.853 0.893) 6.911 12.373 ( 0.000 -0.132 0.712) 0.724 12.386 ( 0.000 -0.867 -1.995) 2.176 12.519 ( 0.000 -0.809 4.161) 4.239 12.595 ( 0.000 3.465 -3.911) 5.225 12.792 ( 0.000 -10.616 2.983) 11.027 12.879 ( 0.000 -11.730 -5.225) 12.841 13.087 ( 0.000 -5.624 7.056) 9.023 13.120 ( 0.000 -7.220 3.167) 7.884 13.872 ( 0.000 12.307 -2.980) 12.662 13.944 ( 0.000 9.247 -9.426) 13.205 14.164 ( 0.000 -13.296 -3.156) 13.666 14.207 ( 0.000 -12.703 -6.839) 14.427 15.192 ( 0.000 12.890 4.840) 13.769 15.262 ( 0.000 10.558 -2.344) 10.815 15.441 ( 0.000 -2.694 2.053) 3.387 15.458 ( 0.000 -9.445 0.141) 9.446 15.839 ( 0.000 -3.478 -1.597) 3.827 15.860 ( 0.000 -5.884 -2.944) 6.579 16.330 ( 0.000 -4.794 -1.088) 4.916 16.365 ( 0.000 -7.544 -4.444) 8.755 17.449 ( 0.000 6.806 6.892) 9.686 17.524 ( 0.000 4.752 -0.515) 4.779 17.606 ( 0.000 -8.852 4.781) 10.061 17.640 ( 0.000 -6.870 1.305) 6.993 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 0.987 3.414 4.941) 6.086 2.086 ( 0.174 -1.417 1.420) 2.014 2.132 ( -2.605 1.197 0.219) 2.875 2.164 ( -2.558 -1.789 -1.483) 3.456 2.360 ( 2.158 2.777 2.176) 4.136 2.376 ( 1.954 1.270 0.721) 2.440 2.447 ( -1.965 4.157 2.658) 5.311 2.467 ( -2.856 2.445 0.423) 3.783 2.581 ( 0.340 3.167 4.558) 5.561 2.644 ( 1.307 -0.984 -0.293) 1.662 2.780 ( -1.143 2.895 5.113) 5.985 2.804 ( -1.310 0.272 1.877) 2.305 2.808 ( -0.375 2.673 3.109) 4.118 2.889 ( -6.530 -3.122 -2.033) 7.518 2.959 ( -0.448 -2.573 0.353) 2.635 2.971 ( -0.517 -5.654 -0.671) 5.717 3.211 ( 4.672 0.639 0.661) 4.761 3.237 ( 4.288 -0.844 1.409) 4.592 3.308 ( 2.073 -0.026 -3.772) 4.304 3.343 ( 0.408 -3.376 -4.797) 5.881 3.467 ( 3.178 -1.007 -0.924) 3.459 3.489 ( 2.455 -1.081 -3.117) 4.112 3.562 ( 0.607 -1.757 0.456) 1.914 3.603 ( -0.104 -4.023 -2.991) 5.014 3.887 ( -0.437 1.695 4.573) 4.896 3.932 ( -0.414 -2.490 1.880) 3.147 4.032 ( -6.412 2.627 -1.888) 7.182 4.069 ( -6.215 -0.926 -3.957) 7.425 4.566 ( -1.105 13.114 3.980) 13.749 4.585 ( -1.097 13.280 1.322) 13.391 4.655 ( 3.033 3.912 4.381) 6.610 4.745 ( 1.088 -1.527 -3.604) 4.063 4.767 ( 7.023 1.387 1.465) 7.307 4.802 ( 5.481 2.265 -1.418) 6.098 4.914 ( 0.214 0.128 -1.848) 1.864 4.930 ( 0.470 0.027 -2.997) 3.033 5.197 ( -0.354 2.010 3.287) 3.869 5.223 ( -0.017 2.131 0.925) 2.324 5.304 ( -3.679 -3.866 2.117) 5.741 5.333 ( -2.672 -6.381 -0.562) 6.941 5.516 ( 0.778 1.251 0.996) 1.778 5.535 ( 0.842 -2.160 -0.431) 2.359 5.606 ( -1.638 -0.714 0.808) 1.962 5.634 ( -1.894 -3.531 -1.543) 4.293 6.523 ( 2.753 9.761 5.001) 11.308 6.581 ( 1.499 5.922 -0.060) 6.109 6.636 ( -0.458 10.605 2.642) 10.938 6.668 ( -0.023 10.016 -0.875) 10.054 6.789 ( 1.584 9.082 5.921) 10.957 6.879 ( -1.476 3.434 1.039) 3.880 6.927 ( 1.010 -0.204 -3.694) 3.835 6.938 ( 1.303 -3.412 -1.949) 4.140 7.087 ( 1.697 -1.002 -7.328) 7.588 7.117 ( 0.896 -2.564 -7.469) 7.948 7.293 ( -4.875 -5.695 -0.552) 7.517 7.316 ( -5.056 -7.575 -2.714) 9.503 8.134 ( 0.163 7.026 3.458) 7.833 8.213 ( -2.011 2.355 1.205) 3.323 8.258 ( -5.334 3.251 -2.624) 6.776 8.349 ( -7.186 -2.284 -6.575) 10.005 8.617 ( 9.859 -0.091 1.585) 9.986 8.642 ( 8.612 -2.190 -1.297) 8.981 8.948 ( 0.312 4.074 1.999) 4.549 8.956 ( -1.178 3.006 1.664) 3.632 9.216 ( 11.771 9.623 1.695) 15.298 9.283 ( 10.266 4.018 -3.349) 11.522 9.540 ( 0.749 2.147 3.150) 3.885 9.574 ( 0.383 -0.259 -0.543) 0.713 10.112 ( 1.686 3.977 6.638) 7.920 10.171 ( -0.027 -1.082 4.528) 4.656 10.302 ( -2.596 4.386 -3.084) 5.958 10.364 ( -0.159 -1.315 -5.308) 5.471 10.736 ( -3.671 10.433 8.072) 13.692 10.802 ( -3.025 2.458 6.193) 7.318 10.873 ( -3.941 9.439 -2.376) 10.501 10.954 ( -3.741 -0.915 -0.737) 3.922 11.276 ( 2.254 10.912 -1.562) 11.252 11.303 ( 1.656 8.863 -1.158) 9.090 11.443 ( -1.992 6.624 -6.395) 9.420 11.473 ( -1.260 2.738 -10.306) 10.738 11.827 ( 7.988 7.733 3.304) 11.598 11.856 ( 5.573 5.478 0.520) 7.831 12.275 ( -4.985 8.536 2.907) 10.303 12.316 ( -4.953 1.335 -0.407) 5.146 12.334 ( 0.838 5.785 2.363) 6.305 12.402 ( 1.375 -2.748 -3.104) 4.368 12.474 ( -5.625 4.485 5.255) 8.909 12.557 ( -1.830 7.660 -3.340) 8.555 12.781 ( -0.376 -13.986 3.547) 14.433 12.854 ( -2.127 -13.232 -2.700) 13.671 12.982 ( -6.541 -7.879 4.043) 11.010 13.036 ( -6.448 -10.698 -0.347) 12.496 13.893 ( 1.838 13.213 -2.931) 13.658 13.951 ( -0.103 11.417 -8.220) 14.069 14.177 ( 1.108 -13.774 -3.159) 14.175 14.209 ( -0.022 -12.851 -6.123) 14.235 15.229 ( 2.919 12.897 4.631) 14.011 15.285 ( 1.165 11.535 -0.790) 11.621 15.456 ( 1.345 -5.824 1.143) 6.086 15.469 ( 0.795 -8.447 -0.120) 8.485 15.887 ( 4.737 0.006 -0.753) 4.796 15.922 ( 5.131 -1.848 -4.071) 6.806 16.282 ( -4.201 -8.013 -1.140) 9.119 16.317 ( -4.416 -10.051 -4.496) 11.863 17.463 ( 1.249 6.394 5.876) 8.774 17.516 ( -0.804 4.922 0.653) 5.030 17.611 ( 0.520 -8.452 4.288) 9.492 17.636 ( -0.436 -7.046 1.851) 7.298 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( -2.533 2.098 0.981) 3.433 2.074 ( 2.533 2.098 0.981) 3.433 2.111 ( -2.133 -1.766 -0.094) 2.770 2.111 ( 2.133 -1.766 -0.094) 2.770 2.406 ( -1.235 3.025 1.587) 3.633 2.406 ( 1.235 3.025 1.587) 3.633 2.414 ( -1.074 3.294 2.754) 4.426 2.414 ( 1.074 3.294 2.754) 4.426 2.623 ( -3.484 6.084 3.233) 7.721 2.623 ( 3.484 6.084 3.233) 7.721 2.754 ( -3.622 -5.542 0.682) 6.656 2.754 ( 3.622 -5.542 0.682) 6.656 2.840 ( -0.919 3.343 -0.100) 3.468 2.840 ( 0.919 3.343 -0.100) 3.468 2.950 ( -0.422 -7.852 1.016) 7.929 2.950 ( 0.422 -7.852 1.016) 7.929 3.276 ( -1.168 3.026 1.534) 3.588 3.276 ( 1.168 3.026 1.534) 3.588 3.341 ( -1.410 -2.337 -3.140) 4.161 3.341 ( 1.410 -2.337 -3.140) 4.161 3.513 ( -0.897 1.116 -1.460) 2.045 3.513 ( 0.897 1.116 -1.460) 2.045 3.589 ( -1.520 -6.097 -2.556) 6.784 3.589 ( 1.520 -6.097 -2.556) 6.784 3.915 ( -3.824 1.556 1.372) 4.350 3.915 ( 3.824 1.556 1.372) 4.350 3.958 ( -3.593 -2.589 0.082) 4.429 3.958 ( 3.593 -2.589 0.082) 4.429 4.567 ( -0.741 17.360 2.971) 17.628 4.567 ( 0.741 17.360 2.971) 17.628 4.717 ( -2.621 2.603 -0.458) 3.722 4.717 ( 2.621 2.603 -0.458) 3.722 4.878 ( -2.218 0.732 -1.306) 2.676 4.878 ( 2.218 0.732 -1.306) 2.676 4.918 ( -1.749 -2.635 -1.480) 3.492 4.918 ( 1.749 -2.635 -1.480) 3.492 5.212 ( -1.953 0.603 2.949) 3.588 5.212 ( 1.953 0.603 2.949) 3.588 5.270 ( -2.326 -2.606 0.113) 3.495 5.270 ( 2.326 -2.606 0.113) 3.495 5.541 ( -1.125 -0.075 1.008) 1.513 5.541 ( 1.125 -0.075 1.008) 1.513 5.592 ( -1.410 -3.435 -1.487) 4.000 5.592 ( 1.410 -3.435 -1.487) 4.000 6.587 ( -2.701 9.823 4.169) 11.007 6.587 ( 2.701 9.823 4.169) 11.007 6.640 ( -2.185 6.588 0.850) 6.993 6.640 ( 2.185 6.588 0.850) 6.993 6.837 ( -2.599 8.715 1.970) 9.305 6.837 ( 2.599 8.715 1.970) 9.305 6.946 ( -0.673 -0.731 -4.024) 4.145 6.946 ( 0.673 -0.731 -4.024) 4.145 7.133 ( -0.960 -1.158 -5.048) 5.268 7.133 ( 0.960 -1.158 -5.048) 5.268 7.227 ( -1.008 -9.029 -3.649) 9.790 7.227 ( 1.008 -9.029 -3.649) 9.790 8.160 ( -2.577 5.562 0.741) 6.175 8.160 ( 2.577 5.562 0.741) 6.175 8.227 ( -3.491 -0.889 -1.383) 3.859 8.227 ( 3.491 -0.889 -1.383) 3.859 8.823 ( -2.674 3.748 2.020) 5.028 8.823 ( 2.674 3.748 2.020) 5.028 8.879 ( -2.661 -2.125 2.390) 4.160 8.879 ( 2.661 -2.125 2.390) 4.160 9.365 ( -2.048 15.592 0.159) 15.727 9.365 ( 2.048 15.592 0.159) 15.727 9.587 ( -1.000 -6.642 1.038) 6.797 9.587 ( 1.000 -6.642 1.038) 6.797 10.205 ( -4.947 4.116 -4.053) 7.606 10.205 ( 4.947 4.116 -4.053) 7.606 10.245 ( -7.352 0.464 -5.348) 9.103 10.245 ( 7.352 0.464 -5.348) 9.103 10.756 ( -3.508 7.850 8.520) 12.104 10.756 ( 3.508 7.850 8.520) 12.104 10.849 ( -4.184 -1.090 4.326) 6.116 10.849 ( 4.184 -1.090 4.326) 6.116 11.306 ( -1.519 15.051 -2.122) 15.276 11.306 ( 1.519 15.051 -2.122) 15.276 11.447 ( -1.484 2.088 -7.732) 8.145 11.447 ( 1.484 2.088 -7.732) 8.145 11.976 ( -0.518 14.788 1.788) 14.905 11.976 ( 0.518 14.788 1.788) 14.905 12.164 ( -2.852 -2.859 0.989) 4.158 12.164 ( 2.852 -2.859 0.989) 4.158 12.368 ( -2.572 6.912 5.623) 9.274 12.368 ( 2.572 6.912 5.623) 9.274 12.487 ( -4.713 -1.520 -4.471) 6.672 12.487 ( 4.713 -1.520 -4.471) 6.672 12.806 ( -2.802 -8.235 3.708) 9.456 12.806 ( 2.802 -8.235 3.708) 9.456 12.935 ( -2.464 -14.125 -2.528) 14.559 12.935 ( 2.464 -14.125 -2.528) 14.559 13.932 ( -1.642 13.202 -5.156) 14.268 13.932 ( 1.642 13.202 -5.156) 14.268 14.199 ( -0.903 -13.405 -4.453) 14.154 14.199 ( 0.903 -13.405 -4.453) 14.154 15.280 ( -1.635 12.378 2.703) 12.775 15.280 ( 1.635 12.378 2.703) 12.775 15.476 ( -0.308 -8.034 -0.137) 8.041 15.476 ( 0.308 -8.034 -0.137) 8.041 15.984 ( -1.914 7.298 -2.322) 7.895 15.984 ( 1.914 7.298 -2.322) 7.895 16.230 ( -1.710 -16.196 -3.135) 16.585 16.230 ( 1.710 -16.196 -3.135) 16.585 17.492 ( -1.449 5.541 3.345) 6.633 17.492 ( 1.449 5.541 3.345) 6.633 17.624 ( -0.656 -7.639 3.093) 8.267 17.624 ( 0.656 -7.639 3.093) 8.267 =================== 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 1994.374 2245.797 2251.879 0.000 0.000 -0.000 3/27216 20.0 325.716 397.433 348.614 0.000 0.000 0.000 3/27216 30.0 107.853 142.865 120.855 0.000 0.000 0.000 3/27216 40.0 54.839 73.887 62.225 0.000 0.000 0.000 3/27216 50.0 34.514 46.761 39.145 0.000 0.000 0.000 3/27216 60.0 24.424 33.239 27.615 0.000 0.000 0.000 3/27216 70.0 18.569 25.404 20.934 0.000 0.000 0.000 3/27216 80.0 14.811 20.388 16.659 0.000 0.000 0.000 3/27216 90.0 12.227 16.944 13.728 0.000 0.000 0.000 3/27216 100.0 10.359 14.454 11.614 0.000 0.000 0.000 3/27216 110.0 8.956 12.583 10.030 0.000 0.000 0.000 3/27216 120.0 7.871 11.131 8.807 0.000 0.000 0.000 3/27216 130.0 7.011 9.976 7.838 0.000 0.000 0.000 3/27216 140.0 6.315 9.038 7.054 0.000 0.000 0.000 3/27216 150.0 5.742 8.262 6.410 0.000 0.000 0.000 3/27216 160.0 5.263 7.610 5.872 0.000 0.000 0.000 3/27216 170.0 4.858 7.056 5.417 0.000 0.000 0.000 3/27216 180.0 4.510 6.578 5.027 0.000 0.000 0.000 3/27216 190.0 4.209 6.163 4.690 0.000 0.000 0.000 3/27216 200.0 3.947 5.798 4.396 0.000 0.000 0.000 3/27216 210.0 3.715 5.476 4.137 0.000 0.000 0.000 3/27216 220.0 3.510 5.188 3.908 0.000 0.000 0.000 3/27216 230.0 3.327 4.930 3.703 0.000 0.000 0.000 3/27216 240.0 3.162 4.698 3.519 0.000 0.000 0.000 3/27216 250.0 3.013 4.487 3.353 0.000 0.000 0.000 3/27216 260.0 2.878 4.295 3.202 0.000 0.000 0.000 3/27216 270.0 2.755 4.119 3.065 0.000 0.000 0.000 3/27216 280.0 2.642 3.957 2.940 0.000 0.000 0.000 3/27216 290.0 2.539 3.808 2.824 0.000 0.000 0.000 3/27216 300.0 2.443 3.670 2.718 0.000 0.000 0.000 3/27216 310.0 2.355 3.542 2.619 0.000 0.000 0.000 3/27216 320.0 2.273 3.423 2.528 0.000 0.000 0.000 3/27216 330.0 2.196 3.312 2.443 0.000 0.000 0.000 3/27216 340.0 2.125 3.208 2.364 0.000 0.000 0.000 3/27216 350.0 2.058 3.111 2.289 0.000 0.000 0.000 3/27216 360.0 1.996 3.019 2.220 0.000 0.000 0.000 3/27216 370.0 1.937 2.933 2.155 0.000 0.000 0.000 3/27216 380.0 1.882 2.852 2.093 0.000 0.000 0.000 3/27216 390.0 1.830 2.775 2.035 0.000 0.000 0.000 3/27216 400.0 1.781 2.702 1.980 0.000 0.000 0.000 3/27216 410.0 1.734 2.633 1.929 0.000 0.000 0.000 3/27216 420.0 1.690 2.568 1.879 0.000 0.000 0.000 3/27216 430.0 1.648 2.505 1.833 0.000 0.000 0.000 3/27216 440.0 1.608 2.446 1.788 0.000 0.000 0.000 3/27216 450.0 1.570 2.390 1.746 0.000 0.000 0.000 3/27216 460.0 1.534 2.336 1.706 0.000 0.000 0.000 3/27216 470.0 1.500 2.285 1.668 0.000 0.000 0.000 3/27216 480.0 1.467 2.235 1.631 0.000 0.000 0.000 3/27216 490.0 1.435 2.188 1.596 0.000 0.000 0.000 3/27216 500.0 1.405 2.143 1.563 0.000 0.000 0.000 3/27216 510.0 1.376 2.100 1.531 0.000 0.000 0.000 3/27216 520.0 1.348 2.058 1.500 0.000 0.000 0.000 3/27216 530.0 1.322 2.019 1.470 0.000 0.000 0.000 3/27216 540.0 1.296 1.980 1.442 0.000 0.000 0.000 3/27216 550.0 1.272 1.943 1.415 0.000 0.000 0.000 3/27216 560.0 1.248 1.908 1.388 0.000 0.000 0.000 3/27216 570.0 1.225 1.873 1.363 0.000 0.000 0.000 3/27216 580.0 1.203 1.840 1.339 0.000 0.000 0.000 3/27216 590.0 1.182 1.809 1.315 0.000 0.000 0.000 3/27216 600.0 1.162 1.778 1.293 0.000 0.000 0.000 3/27216 610.0 1.142 1.748 1.271 0.000 0.000 0.000 3/27216 620.0 1.123 1.719 1.249 0.000 0.000 0.000 3/27216 630.0 1.105 1.692 1.229 0.000 0.000 0.000 3/27216 640.0 1.087 1.665 1.209 0.000 0.000 0.000 3/27216 650.0 1.070 1.639 1.190 0.000 0.000 0.000 3/27216 660.0 1.053 1.613 1.172 0.000 0.000 0.000 3/27216 670.0 1.037 1.589 1.154 0.000 0.000 0.000 3/27216 680.0 1.021 1.565 1.136 0.000 0.000 0.000 3/27216 690.0 1.006 1.542 1.119 0.000 0.000 0.000 3/27216 700.0 0.991 1.520 1.103 0.000 0.000 0.000 3/27216 710.0 0.977 1.498 1.087 0.000 0.000 0.000 3/27216 720.0 0.963 1.477 1.072 0.000 0.000 0.000 3/27216 730.0 0.950 1.456 1.056 0.000 0.000 0.000 3/27216 740.0 0.937 1.436 1.042 0.000 0.000 0.000 3/27216 750.0 0.924 1.417 1.028 0.000 0.000 0.000 3/27216 760.0 0.911 1.398 1.014 0.000 0.000 0.000 3/27216 770.0 0.899 1.380 1.000 0.000 0.000 0.000 3/27216 780.0 0.888 1.362 0.987 0.000 0.000 0.000 3/27216 790.0 0.876 1.344 0.975 0.000 0.000 0.000 3/27216 800.0 0.865 1.327 0.962 0.000 0.000 0.000 3/27216 810.0 0.854 1.311 0.950 0.000 0.000 0.000 3/27216 820.0 0.843 1.295 0.938 0.000 0.000 0.000 3/27216 830.0 0.833 1.279 0.927 0.000 0.000 0.000 3/27216 840.0 0.823 1.264 0.916 0.000 0.000 0.000 3/27216 850.0 0.813 1.249 0.905 0.000 0.000 0.000 3/27216 860.0 0.803 1.234 0.894 0.000 0.000 0.000 3/27216 870.0 0.794 1.220 0.883 0.000 0.000 0.000 3/27216 880.0 0.785 1.206 0.873 0.000 0.000 0.000 3/27216 890.0 0.776 1.192 0.863 0.000 0.000 0.000 3/27216 900.0 0.767 1.179 0.854 0.000 0.000 0.000 3/27216 910.0 0.759 1.166 0.844 0.000 0.000 0.000 3/27216 920.0 0.750 1.153 0.835 0.000 0.000 0.000 3/27216 930.0 0.742 1.140 0.826 0.000 0.000 0.000 3/27216 940.0 0.734 1.128 0.817 0.000 0.000 0.000 3/27216 950.0 0.726 1.116 0.808 0.000 0.000 0.000 3/27216 960.0 0.719 1.104 0.800 0.000 0.000 0.000 3/27216 970.0 0.711 1.093 0.791 0.000 0.000 0.000 3/27216 980.0 0.704 1.082 0.783 0.000 0.000 0.000 3/27216 990.0 0.697 1.071 0.775 0.000 0.000 0.000 3/27216 1000.0 0.690 1.060 0.767 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 2026-01-08 04:21:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|