----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:45:49]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.513285760013130 -5.465650685000000 0.000000000000000 b 3.513285760013130 5.465650685000000 0.000000000000000 c -3.361540097595237 0.000000000000000 3.812278020155568 Atomic positions (fractional): *1 O 0.72153685347931 0.78319886511478 0.78907507669072 15.999 2 O 0.21680113488522 0.27846314652069 0.71092492330928 15.999 3 O 0.27846314652069 0.21680113488522 0.21092492330928 15.999 4 O 0.78319886511478 0.72153685347931 0.28907507669072 15.999 *5 O 0.62711146661074 0.05118257094485 0.33925357523083 15.999 6 O 0.94881742905515 0.37288853338926 0.16074642476917 15.999 7 O 0.37288853338926 0.94881742905515 0.66074642476917 15.999 8 O 0.05118257094485 0.62711146661074 0.83925357523083 15.999 *9 Y 0.62922437803169 0.37077562196831 0.75000000000000 88.906 10 Y 0.37077562196831 0.62922437803169 0.25000000000000 88.906 *11 Nb 0.10554757810077 0.89445242189923 0.75000000000000 92.906 12 Nb 0.89445242189923 0.10554757810077 0.25000000000000 92.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.026571520026259 0.000000000000000 0.000000000000000 b 0.000000000000000 10.931301370000000 0.000000000000000 c -3.361540097595237 0.000000000000000 3.812278020155568 Atomic positions (fractional): *1 O 0.25236785929705 0.53083100581774 0.78907507669072 15.999 > 1 2 O 0.74763214070296 0.53083100581774 0.71092492330928 15.999 > 2 3 O 0.24763214070296 0.96916899418226 0.21092492330928 15.999 > 3 4 O 0.75236785929704 0.96916899418226 0.28907507669072 15.999 > 4 *5 O 0.33914701877780 0.71203555216706 0.33925357523083 15.999 > 5 6 O 0.66085298122220 0.71203555216706 0.16074642476917 15.999 > 6 7 O 0.16085298122220 0.78796444783294 0.66074642476917 15.999 > 7 8 O 0.83914701877780 0.78796444783294 0.83925357523083 15.999 > 8 9 O 0.75236785929704 0.03083100581774 0.78907507669072 15.999 > 1 10 O 0.24763214070296 0.03083100581774 0.71092492330928 15.999 > 2 11 O 0.74763214070296 0.46916899418226 0.21092492330928 15.999 > 3 12 O 0.25236785929705 0.46916899418226 0.28907507669072 15.999 > 4 13 O 0.83914701877780 0.21203555216706 0.33925357523083 15.999 > 5 14 O 0.16085298122220 0.21203555216706 0.16074642476917 15.999 > 6 15 O 0.66085298122220 0.28796444783294 0.66074642476917 15.999 > 7 16 O 0.33914701877780 0.28796444783294 0.83925357523083 15.999 > 8 *17 Y 0.50000000000000 0.87077562196831 0.75000000000000 88.906 > 9 18 Y 0.00000000000000 0.62922437803169 0.25000000000000 88.906 > 10 19 Y 0.00000000000000 0.37077562196831 0.75000000000000 88.906 > 9 20 Y 0.50000000000000 0.12922437803169 0.25000000000000 88.906 > 10 *21 Nb 0.00000000000000 0.89445242189923 0.75000000000000 92.906 > 11 22 Nb 0.50000000000000 0.60554757810077 0.25000000000000 92.906 > 12 23 Nb 0.50000000000000 0.39445242189923 0.75000000000000 92.906 > 11 24 Nb 0.00000000000000 0.10554757810077 0.25000000000000 92.906 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.053143040052518 0.000000000000000 0.000000000000000 b 0.000000000000000 10.931301370000000 0.000000000000000 c -10.084620292785711 0.000000000000000 11.436834060466705 Atomic positions (fractional): *1 O 0.12618392964852 0.53083100581774 0.26302502556357 15.999 > 1 2 O 0.62618392964852 0.53083100581774 0.26302502556357 15.999 > 1 3 O 0.12618392964852 0.53083100581774 0.59635835889691 15.999 > 1 4 O 0.62618392964852 0.53083100581774 0.59635835889691 15.999 > 1 5 O 0.12618392964852 0.53083100581774 0.92969169223024 15.999 > 1 6 O 0.62618392964852 0.53083100581774 0.92969169223024 15.999 > 1 7 O 0.37381607035148 0.53083100581774 0.23697497443643 15.999 > 2 8 O 0.87381607035148 0.53083100581774 0.23697497443643 15.999 > 2 9 O 0.37381607035148 0.53083100581774 0.57030830776976 15.999 > 2 10 O 0.87381607035148 0.53083100581774 0.57030830776976 15.999 > 2 11 O 0.37381607035148 0.53083100581774 0.90364164110309 15.999 > 2 12 O 0.87381607035148 0.53083100581774 0.90364164110309 15.999 > 2 13 O 0.12381607035148 0.96916899418226 0.07030830776976 15.999 > 3 14 O 0.62381607035148 0.96916899418226 0.07030830776976 15.999 > 3 15 O 0.12381607035148 0.96916899418226 0.40364164110309 15.999 > 3 16 O 0.62381607035148 0.96916899418226 0.40364164110309 15.999 > 3 17 O 0.12381607035148 0.96916899418226 0.73697497443643 15.999 > 3 18 O 0.62381607035148 0.96916899418226 0.73697497443643 15.999 > 3 19 O 0.37618392964852 0.96916899418226 0.09635835889691 15.999 > 4 20 O 0.87618392964852 0.96916899418226 0.09635835889691 15.999 > 4 21 O 0.37618392964852 0.96916899418226 0.42969169223024 15.999 > 4 22 O 0.87618392964852 0.96916899418226 0.42969169223024 15.999 > 4 23 O 0.37618392964852 0.96916899418226 0.76302502556357 15.999 > 4 24 O 0.87618392964852 0.96916899418226 0.76302502556357 15.999 > 4 *25 O 0.16957350938890 0.71203555216706 0.11308452507694 15.999 > 5 26 O 0.66957350938890 0.71203555216706 0.11308452507694 15.999 > 5 27 O 0.16957350938890 0.71203555216706 0.44641785841028 15.999 > 5 28 O 0.66957350938890 0.71203555216706 0.44641785841028 15.999 > 5 29 O 0.16957350938890 0.71203555216706 0.77975119174361 15.999 > 5 30 O 0.66957350938890 0.71203555216706 0.77975119174361 15.999 > 5 31 O 0.33042649061110 0.71203555216706 0.05358214158972 15.999 > 6 32 O 0.83042649061110 0.71203555216706 0.05358214158972 15.999 > 6 33 O 0.33042649061110 0.71203555216706 0.38691547492306 15.999 > 6 34 O 0.83042649061110 0.71203555216706 0.38691547492306 15.999 > 6 35 O 0.33042649061110 0.71203555216706 0.72024880825639 15.999 > 6 36 O 0.83042649061110 0.71203555216706 0.72024880825639 15.999 > 6 37 O 0.08042649061110 0.78796444783294 0.22024880825639 15.999 > 7 38 O 0.58042649061110 0.78796444783294 0.22024880825639 15.999 > 7 39 O 0.08042649061110 0.78796444783294 0.55358214158972 15.999 > 7 40 O 0.58042649061110 0.78796444783294 0.55358214158972 15.999 > 7 41 O 0.08042649061110 0.78796444783294 0.88691547492306 15.999 > 7 42 O 0.58042649061110 0.78796444783294 0.88691547492306 15.999 > 7 43 O 0.41957350938890 0.78796444783294 0.27975119174361 15.999 > 8 44 O 0.91957350938890 0.78796444783294 0.27975119174361 15.999 > 8 45 O 0.41957350938890 0.78796444783294 0.61308452507694 15.999 > 8 46 O 0.91957350938890 0.78796444783294 0.61308452507694 15.999 > 8 47 O 0.41957350938890 0.78796444783294 0.94641785841028 15.999 > 8 48 O 0.91957350938890 0.78796444783294 0.94641785841028 15.999 > 8 49 O 0.37618392964852 0.03083100581774 0.26302502556357 15.999 > 1 50 O 0.87618392964852 0.03083100581774 0.26302502556357 15.999 > 1 51 O 0.37618392964852 0.03083100581774 0.59635835889691 15.999 > 1 52 O 0.87618392964852 0.03083100581774 0.59635835889691 15.999 > 1 53 O 0.37618392964852 0.03083100581774 0.92969169223024 15.999 > 1 54 O 0.87618392964852 0.03083100581774 0.92969169223024 15.999 > 1 55 O 0.12381607035148 0.03083100581774 0.23697497443643 15.999 > 2 56 O 0.62381607035148 0.03083100581774 0.23697497443643 15.999 > 2 57 O 0.12381607035148 0.03083100581774 0.57030830776976 15.999 > 2 58 O 0.62381607035148 0.03083100581774 0.57030830776976 15.999 > 2 59 O 0.12381607035148 0.03083100581774 0.90364164110309 15.999 > 2 60 O 0.62381607035148 0.03083100581774 0.90364164110309 15.999 > 2 61 O 0.37381607035148 0.46916899418226 0.07030830776976 15.999 > 3 62 O 0.87381607035148 0.46916899418226 0.07030830776976 15.999 > 3 63 O 0.37381607035148 0.46916899418226 0.40364164110309 15.999 > 3 64 O 0.87381607035148 0.46916899418226 0.40364164110309 15.999 > 3 65 O 0.37381607035148 0.46916899418226 0.73697497443643 15.999 > 3 66 O 0.87381607035148 0.46916899418226 0.73697497443643 15.999 > 3 67 O 0.12618392964852 0.46916899418226 0.09635835889691 15.999 > 4 68 O 0.62618392964852 0.46916899418226 0.09635835889691 15.999 > 4 69 O 0.12618392964852 0.46916899418226 0.42969169223024 15.999 > 4 70 O 0.62618392964852 0.46916899418226 0.42969169223024 15.999 > 4 71 O 0.12618392964852 0.46916899418226 0.76302502556357 15.999 > 4 72 O 0.62618392964852 0.46916899418226 0.76302502556357 15.999 > 4 73 O 0.41957350938890 0.21203555216706 0.11308452507694 15.999 > 5 74 O 0.91957350938890 0.21203555216706 0.11308452507694 15.999 > 5 75 O 0.41957350938890 0.21203555216706 0.44641785841028 15.999 > 5 76 O 0.91957350938890 0.21203555216706 0.44641785841028 15.999 > 5 77 O 0.41957350938890 0.21203555216706 0.77975119174361 15.999 > 5 78 O 0.91957350938890 0.21203555216706 0.77975119174361 15.999 > 5 79 O 0.08042649061110 0.21203555216706 0.05358214158972 15.999 > 6 80 O 0.58042649061110 0.21203555216706 0.05358214158972 15.999 > 6 81 O 0.08042649061110 0.21203555216706 0.38691547492306 15.999 > 6 82 O 0.58042649061110 0.21203555216706 0.38691547492306 15.999 > 6 83 O 0.08042649061110 0.21203555216706 0.72024880825639 15.999 > 6 84 O 0.58042649061110 0.21203555216706 0.72024880825639 15.999 > 6 85 O 0.33042649061110 0.28796444783294 0.22024880825639 15.999 > 7 86 O 0.83042649061110 0.28796444783294 0.22024880825639 15.999 > 7 87 O 0.33042649061110 0.28796444783294 0.55358214158972 15.999 > 7 88 O 0.83042649061110 0.28796444783294 0.55358214158972 15.999 > 7 89 O 0.33042649061110 0.28796444783294 0.88691547492306 15.999 > 7 90 O 0.83042649061110 0.28796444783294 0.88691547492306 15.999 > 7 91 O 0.16957350938890 0.28796444783294 0.27975119174361 15.999 > 8 92 O 0.66957350938890 0.28796444783294 0.27975119174361 15.999 > 8 93 O 0.16957350938890 0.28796444783294 0.61308452507694 15.999 > 8 94 O 0.66957350938890 0.28796444783294 0.61308452507694 15.999 > 8 95 O 0.16957350938890 0.28796444783294 0.94641785841028 15.999 > 8 96 O 0.66957350938890 0.28796444783294 0.94641785841028 15.999 > 8 *97 Y 0.25000000000000 0.87077562196831 0.25000000000000 88.906 > 9 98 Y 0.75000000000000 0.87077562196831 0.25000000000000 88.906 > 9 99 Y 0.25000000000000 0.87077562196831 0.58333333333333 88.906 > 9 100 Y 0.75000000000000 0.87077562196831 0.58333333333333 88.906 > 9 101 Y 0.25000000000000 0.87077562196831 0.91666666666667 88.906 > 9 102 Y 0.75000000000000 0.87077562196831 0.91666666666667 88.906 > 9 103 Y 0.00000000000000 0.62922437803169 0.08333333333333 88.906 > 10 104 Y 0.50000000000000 0.62922437803169 0.08333333333333 88.906 > 10 105 Y 0.00000000000000 0.62922437803169 0.41666666666667 88.906 > 10 106 Y 0.50000000000000 0.62922437803169 0.41666666666667 88.906 > 10 107 Y 0.00000000000000 0.62922437803169 0.75000000000000 88.906 > 10 108 Y 0.50000000000000 0.62922437803169 0.75000000000000 88.906 > 10 109 Y 0.00000000000000 0.37077562196831 0.25000000000000 88.906 > 9 110 Y 0.50000000000000 0.37077562196831 0.25000000000000 88.906 > 9 111 Y 0.00000000000000 0.37077562196831 0.58333333333333 88.906 > 9 112 Y 0.50000000000000 0.37077562196831 0.58333333333333 88.906 > 9 113 Y 0.00000000000000 0.37077562196831 0.91666666666667 88.906 > 9 114 Y 0.50000000000000 0.37077562196831 0.91666666666667 88.906 > 9 115 Y 0.25000000000000 0.12922437803169 0.08333333333333 88.906 > 10 116 Y 0.75000000000000 0.12922437803169 0.08333333333333 88.906 > 10 117 Y 0.25000000000000 0.12922437803169 0.41666666666667 88.906 > 10 118 Y 0.75000000000000 0.12922437803169 0.41666666666667 88.906 > 10 119 Y 0.25000000000000 0.12922437803169 0.75000000000000 88.906 > 10 120 Y 0.75000000000000 0.12922437803169 0.75000000000000 88.906 > 10 *121 Nb 0.00000000000000 0.89445242189923 0.25000000000000 92.906 > 11 122 Nb 0.50000000000000 0.89445242189923 0.25000000000000 92.906 > 11 123 Nb 0.00000000000000 0.89445242189923 0.58333333333333 92.906 > 11 124 Nb 0.50000000000000 0.89445242189923 0.58333333333333 92.906 > 11 125 Nb 0.00000000000000 0.89445242189923 0.91666666666667 92.906 > 11 126 Nb 0.50000000000000 0.89445242189923 0.91666666666667 92.906 > 11 127 Nb 0.25000000000000 0.60554757810077 0.08333333333333 92.906 > 12 128 Nb 0.75000000000000 0.60554757810077 0.08333333333333 92.906 > 12 129 Nb 0.25000000000000 0.60554757810077 0.41666666666667 92.906 > 12 130 Nb 0.75000000000000 0.60554757810077 0.41666666666667 92.906 > 12 131 Nb 0.25000000000000 0.60554757810077 0.75000000000000 92.906 > 12 132 Nb 0.75000000000000 0.60554757810077 0.75000000000000 92.906 > 12 133 Nb 0.25000000000000 0.39445242189923 0.25000000000000 92.906 > 11 134 Nb 0.75000000000000 0.39445242189923 0.25000000000000 92.906 > 11 135 Nb 0.25000000000000 0.39445242189923 0.58333333333333 92.906 > 11 136 Nb 0.75000000000000 0.39445242189923 0.58333333333333 92.906 > 11 137 Nb 0.25000000000000 0.39445242189923 0.91666666666667 92.906 > 11 138 Nb 0.75000000000000 0.39445242189923 0.91666666666667 92.906 > 11 139 Nb 0.00000000000000 0.10554757810077 0.08333333333333 92.906 > 12 140 Nb 0.50000000000000 0.10554757810077 0.08333333333333 92.906 > 12 141 Nb 0.00000000000000 0.10554757810077 0.41666666666667 92.906 > 12 142 Nb 0.50000000000000 0.10554757810077 0.41666666666667 92.906 > 12 143 Nb 0.00000000000000 0.10554757810077 0.75000000000000 92.906 > 12 144 Nb 0.50000000000000 0.10554757810077 0.75000000000000 92.906 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1901420 0.0000000 -0.3222515 0.0000000 4.8570356 0.0000000 -0.3222533 0.0000000 5.1023425 -------------------------- Born effective charges -------------------------- 1 O -1.8269669 0.1855875 0.0470110 0.0568111 -2.1159122 -0.6426201 0.0138934 -0.6790343 -3.4604308 2 O -1.8269669 -0.1855875 0.0470110 -0.0568111 -2.1159122 0.6426201 0.0138934 0.6790343 -3.4604308 3 O -1.8269669 0.1855875 0.0470110 0.0568111 -2.1159122 -0.6426201 0.0138934 -0.6790343 -3.4604308 4 O -1.8269669 -0.1855875 0.0470110 -0.0568111 -2.1159122 0.6426201 0.0138934 0.6790343 -3.4604308 5 O -3.3137414 0.9983326 0.3746365 1.0147095 -2.5363603 -0.5701802 0.4293466 -0.4366905 -1.5224792 6 O -3.3137414 -0.9983326 0.3746365 -1.0147095 -2.5363603 0.5701802 0.4293466 0.4366905 -1.5224792 7 O -3.3137414 0.9983326 0.3746365 1.0147095 -2.5363603 -0.5701802 0.4293466 -0.4366905 -1.5224792 8 O -3.3137414 -0.9983326 0.3746365 -1.0147095 -2.5363603 0.5701802 0.4293466 0.4366905 -1.5224792 9 Y 4.5725460 0.0000000 -0.1158964 0.0000000 3.9161895 0.0000000 0.4274933 0.0000000 4.4418549 10 Y 4.5725460 0.0000000 -0.1158964 0.0000000 3.9161895 0.0000000 0.4274933 0.0000000 4.4418549 11 Nb 5.7088706 0.0000000 -0.7273987 0.0000000 5.3883556 0.0000000 -1.3139734 0.0000000 5.5239651 12 Nb 5.7088706 0.0000000 -0.7273987 0.0000000 5.3883556 0.0000000 -1.3139734 0.0000000 5.5239651 ---------------------------------------------------------------------------- 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: 9972/9972 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2074 Number of blocks in projector: 2074 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: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (2074, 2047), data: False |-- (262, 258), data: True |-- (262, 258), data: True |-- (262, 258), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 433), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 400 - Time: 0.694 Solver_block: 200 / 400 - Time: 0.638 Solver_block: 300 / 400 - Time: 0.637 Solver_block: 400 / 400 - Time: 0.639 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.661 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 9972/9972 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2074 Number of blocks in projector: 2074 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: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (2074, 2047), data: False |-- (262, 258), data: True |-- (262, 258), data: True |-- (262, 258), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 433), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:46:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:46:17]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.513285760013130 -5.465650685000000 0.000000000000000 b 3.513285760013130 5.465650685000000 0.000000000000000 c -3.361540097595237 0.000000000000000 3.812278020155568 Atomic positions (fractional): 1 O 0.72153685347931 0.78319886511478 0.78907507669072 15.999 2 O 0.21680113488522 0.27846314652069 0.71092492330928 15.999 3 O 0.27846314652069 0.21680113488522 0.21092492330928 15.999 4 O 0.78319886511478 0.72153685347931 0.28907507669072 15.999 5 O 0.62711146661074 0.05118257094485 0.33925357523083 15.999 6 O 0.94881742905515 0.37288853338926 0.16074642476917 15.999 7 O 0.37288853338926 0.94881742905515 0.66074642476917 15.999 8 O 0.05118257094485 0.62711146661074 0.83925357523083 15.999 9 Y 0.62922437803169 0.37077562196831 0.75000000000000 88.906 10 Y 0.37077562196831 0.62922437803169 0.25000000000000 88.906 11 Nb 0.10554757810077 0.89445242189923 0.75000000000000 92.906 12 Nb 0.89445242189923 0.10554757810077 0.25000000000000 92.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.053143040052518 0.000000000000000 0.000000000000000 b 0.000000000000000 10.931301370000000 0.000000000000000 c -10.084620292785711 0.000000000000000 11.436834060466705 Atomic positions (fractional): 1 O 0.12618392964852 0.53083100581774 0.26302502556357 15.999 > 1 2 O 0.62618392964852 0.53083100581774 0.26302502556357 15.999 > 1 3 O 0.12618392964852 0.53083100581774 0.59635835889691 15.999 > 1 4 O 0.62618392964852 0.53083100581774 0.59635835889691 15.999 > 1 5 O 0.12618392964852 0.53083100581774 0.92969169223024 15.999 > 1 6 O 0.62618392964852 0.53083100581774 0.92969169223024 15.999 > 1 7 O 0.37381607035148 0.53083100581774 0.23697497443643 15.999 > 7 8 O 0.87381607035148 0.53083100581774 0.23697497443643 15.999 > 7 9 O 0.37381607035148 0.53083100581774 0.57030830776976 15.999 > 7 10 O 0.87381607035148 0.53083100581774 0.57030830776976 15.999 > 7 11 O 0.37381607035148 0.53083100581774 0.90364164110309 15.999 > 7 12 O 0.87381607035148 0.53083100581774 0.90364164110309 15.999 > 7 13 O 0.12381607035148 0.96916899418226 0.07030830776976 15.999 > 13 14 O 0.62381607035148 0.96916899418226 0.07030830776976 15.999 > 13 15 O 0.12381607035148 0.96916899418226 0.40364164110309 15.999 > 13 16 O 0.62381607035148 0.96916899418226 0.40364164110309 15.999 > 13 17 O 0.12381607035148 0.96916899418226 0.73697497443643 15.999 > 13 18 O 0.62381607035148 0.96916899418226 0.73697497443643 15.999 > 13 19 O 0.37618392964852 0.96916899418226 0.09635835889691 15.999 > 19 20 O 0.87618392964852 0.96916899418226 0.09635835889691 15.999 > 19 21 O 0.37618392964852 0.96916899418226 0.42969169223024 15.999 > 19 22 O 0.87618392964852 0.96916899418226 0.42969169223024 15.999 > 19 23 O 0.37618392964852 0.96916899418226 0.76302502556357 15.999 > 19 24 O 0.87618392964852 0.96916899418226 0.76302502556357 15.999 > 19 25 O 0.16957350938890 0.71203555216706 0.11308452507694 15.999 > 25 26 O 0.66957350938890 0.71203555216706 0.11308452507694 15.999 > 25 27 O 0.16957350938890 0.71203555216706 0.44641785841028 15.999 > 25 28 O 0.66957350938890 0.71203555216706 0.44641785841028 15.999 > 25 29 O 0.16957350938890 0.71203555216706 0.77975119174361 15.999 > 25 30 O 0.66957350938890 0.71203555216706 0.77975119174361 15.999 > 25 31 O 0.33042649061110 0.71203555216706 0.05358214158972 15.999 > 31 32 O 0.83042649061110 0.71203555216706 0.05358214158972 15.999 > 31 33 O 0.33042649061110 0.71203555216706 0.38691547492306 15.999 > 31 34 O 0.83042649061110 0.71203555216706 0.38691547492306 15.999 > 31 35 O 0.33042649061110 0.71203555216706 0.72024880825639 15.999 > 31 36 O 0.83042649061110 0.71203555216706 0.72024880825639 15.999 > 31 37 O 0.08042649061110 0.78796444783294 0.22024880825639 15.999 > 37 38 O 0.58042649061110 0.78796444783294 0.22024880825639 15.999 > 37 39 O 0.08042649061110 0.78796444783294 0.55358214158972 15.999 > 37 40 O 0.58042649061110 0.78796444783294 0.55358214158972 15.999 > 37 41 O 0.08042649061110 0.78796444783294 0.88691547492306 15.999 > 37 42 O 0.58042649061110 0.78796444783294 0.88691547492306 15.999 > 37 43 O 0.41957350938890 0.78796444783294 0.27975119174361 15.999 > 43 44 O 0.91957350938890 0.78796444783294 0.27975119174361 15.999 > 43 45 O 0.41957350938890 0.78796444783294 0.61308452507694 15.999 > 43 46 O 0.91957350938890 0.78796444783294 0.61308452507694 15.999 > 43 47 O 0.41957350938890 0.78796444783294 0.94641785841028 15.999 > 43 48 O 0.91957350938890 0.78796444783294 0.94641785841028 15.999 > 43 49 O 0.37618392964852 0.03083100581774 0.26302502556357 15.999 > 1 50 O 0.87618392964852 0.03083100581774 0.26302502556357 15.999 > 1 51 O 0.37618392964852 0.03083100581774 0.59635835889691 15.999 > 1 52 O 0.87618392964852 0.03083100581774 0.59635835889691 15.999 > 1 53 O 0.37618392964852 0.03083100581774 0.92969169223024 15.999 > 1 54 O 0.87618392964852 0.03083100581774 0.92969169223024 15.999 > 1 55 O 0.12381607035148 0.03083100581774 0.23697497443643 15.999 > 7 56 O 0.62381607035148 0.03083100581774 0.23697497443643 15.999 > 7 57 O 0.12381607035148 0.03083100581774 0.57030830776976 15.999 > 7 58 O 0.62381607035148 0.03083100581774 0.57030830776976 15.999 > 7 59 O 0.12381607035148 0.03083100581774 0.90364164110309 15.999 > 7 60 O 0.62381607035148 0.03083100581774 0.90364164110309 15.999 > 7 61 O 0.37381607035148 0.46916899418226 0.07030830776976 15.999 > 13 62 O 0.87381607035148 0.46916899418226 0.07030830776976 15.999 > 13 63 O 0.37381607035148 0.46916899418226 0.40364164110309 15.999 > 13 64 O 0.87381607035148 0.46916899418226 0.40364164110309 15.999 > 13 65 O 0.37381607035148 0.46916899418226 0.73697497443643 15.999 > 13 66 O 0.87381607035148 0.46916899418226 0.73697497443643 15.999 > 13 67 O 0.12618392964852 0.46916899418226 0.09635835889691 15.999 > 19 68 O 0.62618392964852 0.46916899418226 0.09635835889691 15.999 > 19 69 O 0.12618392964852 0.46916899418226 0.42969169223024 15.999 > 19 70 O 0.62618392964852 0.46916899418226 0.42969169223024 15.999 > 19 71 O 0.12618392964852 0.46916899418226 0.76302502556357 15.999 > 19 72 O 0.62618392964852 0.46916899418226 0.76302502556357 15.999 > 19 73 O 0.41957350938890 0.21203555216706 0.11308452507694 15.999 > 25 74 O 0.91957350938890 0.21203555216706 0.11308452507694 15.999 > 25 75 O 0.41957350938890 0.21203555216706 0.44641785841028 15.999 > 25 76 O 0.91957350938890 0.21203555216706 0.44641785841028 15.999 > 25 77 O 0.41957350938890 0.21203555216706 0.77975119174361 15.999 > 25 78 O 0.91957350938890 0.21203555216706 0.77975119174361 15.999 > 25 79 O 0.08042649061110 0.21203555216706 0.05358214158972 15.999 > 31 80 O 0.58042649061110 0.21203555216706 0.05358214158972 15.999 > 31 81 O 0.08042649061110 0.21203555216706 0.38691547492306 15.999 > 31 82 O 0.58042649061110 0.21203555216706 0.38691547492306 15.999 > 31 83 O 0.08042649061110 0.21203555216706 0.72024880825639 15.999 > 31 84 O 0.58042649061110 0.21203555216706 0.72024880825639 15.999 > 31 85 O 0.33042649061110 0.28796444783294 0.22024880825639 15.999 > 37 86 O 0.83042649061110 0.28796444783294 0.22024880825639 15.999 > 37 87 O 0.33042649061110 0.28796444783294 0.55358214158972 15.999 > 37 88 O 0.83042649061110 0.28796444783294 0.55358214158972 15.999 > 37 89 O 0.33042649061110 0.28796444783294 0.88691547492306 15.999 > 37 90 O 0.83042649061110 0.28796444783294 0.88691547492306 15.999 > 37 91 O 0.16957350938890 0.28796444783294 0.27975119174361 15.999 > 43 92 O 0.66957350938890 0.28796444783294 0.27975119174361 15.999 > 43 93 O 0.16957350938890 0.28796444783294 0.61308452507694 15.999 > 43 94 O 0.66957350938890 0.28796444783294 0.61308452507694 15.999 > 43 95 O 0.16957350938890 0.28796444783294 0.94641785841028 15.999 > 43 96 O 0.66957350938890 0.28796444783294 0.94641785841028 15.999 > 43 97 Y 0.25000000000000 0.87077562196831 0.25000000000000 88.906 > 97 98 Y 0.75000000000000 0.87077562196831 0.25000000000000 88.906 > 97 99 Y 0.25000000000000 0.87077562196831 0.58333333333333 88.906 > 97 100 Y 0.75000000000000 0.87077562196831 0.58333333333333 88.906 > 97 101 Y 0.25000000000000 0.87077562196831 0.91666666666667 88.906 > 97 102 Y 0.75000000000000 0.87077562196831 0.91666666666667 88.906 > 97 103 Y 0.00000000000000 0.62922437803169 0.08333333333333 88.906 > 103 104 Y 0.50000000000000 0.62922437803169 0.08333333333333 88.906 > 103 105 Y 0.00000000000000 0.62922437803169 0.41666666666667 88.906 > 103 106 Y 0.50000000000000 0.62922437803169 0.41666666666667 88.906 > 103 107 Y 0.00000000000000 0.62922437803169 0.75000000000000 88.906 > 103 108 Y 0.50000000000000 0.62922437803169 0.75000000000000 88.906 > 103 109 Y 0.00000000000000 0.37077562196831 0.25000000000000 88.906 > 97 110 Y 0.50000000000000 0.37077562196831 0.25000000000000 88.906 > 97 111 Y 0.00000000000000 0.37077562196831 0.58333333333333 88.906 > 97 112 Y 0.50000000000000 0.37077562196831 0.58333333333333 88.906 > 97 113 Y 0.00000000000000 0.37077562196831 0.91666666666667 88.906 > 97 114 Y 0.50000000000000 0.37077562196831 0.91666666666667 88.906 > 97 115 Y 0.25000000000000 0.12922437803169 0.08333333333333 88.906 > 103 116 Y 0.75000000000000 0.12922437803169 0.08333333333333 88.906 > 103 117 Y 0.25000000000000 0.12922437803169 0.41666666666667 88.906 > 103 118 Y 0.75000000000000 0.12922437803169 0.41666666666667 88.906 > 103 119 Y 0.25000000000000 0.12922437803169 0.75000000000000 88.906 > 103 120 Y 0.75000000000000 0.12922437803169 0.75000000000000 88.906 > 103 121 Nb 0.00000000000000 0.89445242189923 0.25000000000000 92.906 > 121 122 Nb 0.50000000000000 0.89445242189923 0.25000000000000 92.906 > 121 123 Nb 0.00000000000000 0.89445242189923 0.58333333333333 92.906 > 121 124 Nb 0.50000000000000 0.89445242189923 0.58333333333333 92.906 > 121 125 Nb 0.00000000000000 0.89445242189923 0.91666666666667 92.906 > 121 126 Nb 0.50000000000000 0.89445242189923 0.91666666666667 92.906 > 121 127 Nb 0.25000000000000 0.60554757810077 0.08333333333333 92.906 > 127 128 Nb 0.75000000000000 0.60554757810077 0.08333333333333 92.906 > 127 129 Nb 0.25000000000000 0.60554757810077 0.41666666666667 92.906 > 127 130 Nb 0.75000000000000 0.60554757810077 0.41666666666667 92.906 > 127 131 Nb 0.25000000000000 0.60554757810077 0.75000000000000 92.906 > 127 132 Nb 0.75000000000000 0.60554757810077 0.75000000000000 92.906 > 127 133 Nb 0.25000000000000 0.39445242189923 0.25000000000000 92.906 > 121 134 Nb 0.75000000000000 0.39445242189923 0.25000000000000 92.906 > 121 135 Nb 0.25000000000000 0.39445242189923 0.58333333333333 92.906 > 121 136 Nb 0.75000000000000 0.39445242189923 0.58333333333333 92.906 > 121 137 Nb 0.25000000000000 0.39445242189923 0.91666666666667 92.906 > 121 138 Nb 0.75000000000000 0.39445242189923 0.91666666666667 92.906 > 121 139 Nb 0.00000000000000 0.10554757810077 0.08333333333333 92.906 > 127 140 Nb 0.50000000000000 0.10554757810077 0.08333333333333 92.906 > 127 141 Nb 0.00000000000000 0.10554757810077 0.41666666666667 92.906 > 127 142 Nb 0.50000000000000 0.10554757810077 0.41666666666667 92.906 > 127 143 Nb 0.00000000000000 0.10554757810077 0.75000000000000 92.906 > 127 144 Nb 0.50000000000000 0.10554757810077 0.75000000000000 92.906 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1901420 0.0000000 -0.3222515 0.0000000 4.8570356 0.0000000 -0.3222533 0.0000000 5.1023425 -------------------------- Born effective charges -------------------------- 1 O -1.8269669 0.1855875 0.0470110 0.0568111 -2.1159122 -0.6426201 0.0138934 -0.6790343 -3.4604308 2 O -1.8269669 -0.1855875 0.0470110 -0.0568111 -2.1159122 0.6426201 0.0138934 0.6790343 -3.4604308 3 O -1.8269669 0.1855875 0.0470110 0.0568111 -2.1159122 -0.6426201 0.0138934 -0.6790343 -3.4604308 4 O -1.8269669 -0.1855875 0.0470110 -0.0568111 -2.1159122 0.6426201 0.0138934 0.6790343 -3.4604308 5 O -3.3137414 0.9983326 0.3746365 1.0147095 -2.5363603 -0.5701802 0.4293466 -0.4366905 -1.5224792 6 O -3.3137414 -0.9983326 0.3746365 -1.0147095 -2.5363603 0.5701802 0.4293466 0.4366905 -1.5224792 7 O -3.3137414 0.9983326 0.3746365 1.0147095 -2.5363603 -0.5701802 0.4293466 -0.4366905 -1.5224792 8 O -3.3137414 -0.9983326 0.3746365 -1.0147095 -2.5363603 0.5701802 0.4293466 0.4366905 -1.5224792 9 Y 4.5725460 0.0000000 -0.1158964 0.0000000 3.9161895 0.0000000 0.4274933 0.0000000 4.4418549 10 Y 4.5725460 0.0000000 -0.1158964 0.0000000 3.9161895 0.0000000 0.4274933 0.0000000 4.4418549 11 Nb 5.7088706 0.0000000 -0.7273987 0.0000000 5.3883556 0.0000000 -1.3139734 0.0000000 5.5239651 12 Nb 5.7088706 0.0000000 -0.7273987 0.0000000 5.3883556 0.0000000 -1.3139734 0.0000000 5.5239651 ---------------------------------------------------------------------------- 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] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] 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] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:46:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:46:44]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.513285760013130 -5.465650685000000 0.000000000000000 b 3.513285760013130 5.465650685000000 0.000000000000000 c -3.361540097595237 0.000000000000000 3.812278020155568 Atomic positions (fractional): 1 O 0.72153685347931 0.78319886511478 0.78907507669072 15.999 2 O 0.21680113488522 0.27846314652069 0.71092492330928 15.999 3 O 0.27846314652069 0.21680113488522 0.21092492330928 15.999 4 O 0.78319886511478 0.72153685347931 0.28907507669072 15.999 5 O 0.62711146661074 0.05118257094485 0.33925357523083 15.999 6 O 0.94881742905515 0.37288853338926 0.16074642476917 15.999 7 O 0.37288853338926 0.94881742905515 0.66074642476917 15.999 8 O 0.05118257094485 0.62711146661074 0.83925357523083 15.999 9 Y 0.62922437803169 0.37077562196831 0.75000000000000 88.906 10 Y 0.37077562196831 0.62922437803169 0.25000000000000 88.906 11 Nb 0.10554757810077 0.89445242189923 0.75000000000000 92.906 12 Nb 0.89445242189923 0.10554757810077 0.25000000000000 92.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.053143040052518 0.000000000000000 0.000000000000000 b 0.000000000000000 10.931301370000000 0.000000000000000 c -10.084620292785711 0.000000000000000 11.436834060466705 Atomic positions (fractional): 1 O 0.12618392964852 0.53083100581774 0.26302502556357 15.999 > 1 2 O 0.62618392964852 0.53083100581774 0.26302502556357 15.999 > 1 3 O 0.12618392964852 0.53083100581774 0.59635835889691 15.999 > 1 4 O 0.62618392964852 0.53083100581774 0.59635835889691 15.999 > 1 5 O 0.12618392964852 0.53083100581774 0.92969169223024 15.999 > 1 6 O 0.62618392964852 0.53083100581774 0.92969169223024 15.999 > 1 7 O 0.37381607035148 0.53083100581774 0.23697497443643 15.999 > 7 8 O 0.87381607035148 0.53083100581774 0.23697497443643 15.999 > 7 9 O 0.37381607035148 0.53083100581774 0.57030830776976 15.999 > 7 10 O 0.87381607035148 0.53083100581774 0.57030830776976 15.999 > 7 11 O 0.37381607035148 0.53083100581774 0.90364164110309 15.999 > 7 12 O 0.87381607035148 0.53083100581774 0.90364164110309 15.999 > 7 13 O 0.12381607035148 0.96916899418226 0.07030830776976 15.999 > 13 14 O 0.62381607035148 0.96916899418226 0.07030830776976 15.999 > 13 15 O 0.12381607035148 0.96916899418226 0.40364164110309 15.999 > 13 16 O 0.62381607035148 0.96916899418226 0.40364164110309 15.999 > 13 17 O 0.12381607035148 0.96916899418226 0.73697497443643 15.999 > 13 18 O 0.62381607035148 0.96916899418226 0.73697497443643 15.999 > 13 19 O 0.37618392964852 0.96916899418226 0.09635835889691 15.999 > 19 20 O 0.87618392964852 0.96916899418226 0.09635835889691 15.999 > 19 21 O 0.37618392964852 0.96916899418226 0.42969169223024 15.999 > 19 22 O 0.87618392964852 0.96916899418226 0.42969169223024 15.999 > 19 23 O 0.37618392964852 0.96916899418226 0.76302502556357 15.999 > 19 24 O 0.87618392964852 0.96916899418226 0.76302502556357 15.999 > 19 25 O 0.16957350938890 0.71203555216706 0.11308452507694 15.999 > 25 26 O 0.66957350938890 0.71203555216706 0.11308452507694 15.999 > 25 27 O 0.16957350938890 0.71203555216706 0.44641785841028 15.999 > 25 28 O 0.66957350938890 0.71203555216706 0.44641785841028 15.999 > 25 29 O 0.16957350938890 0.71203555216706 0.77975119174361 15.999 > 25 30 O 0.66957350938890 0.71203555216706 0.77975119174361 15.999 > 25 31 O 0.33042649061110 0.71203555216706 0.05358214158972 15.999 > 31 32 O 0.83042649061110 0.71203555216706 0.05358214158972 15.999 > 31 33 O 0.33042649061110 0.71203555216706 0.38691547492306 15.999 > 31 34 O 0.83042649061110 0.71203555216706 0.38691547492306 15.999 > 31 35 O 0.33042649061110 0.71203555216706 0.72024880825639 15.999 > 31 36 O 0.83042649061110 0.71203555216706 0.72024880825639 15.999 > 31 37 O 0.08042649061110 0.78796444783294 0.22024880825639 15.999 > 37 38 O 0.58042649061110 0.78796444783294 0.22024880825639 15.999 > 37 39 O 0.08042649061110 0.78796444783294 0.55358214158972 15.999 > 37 40 O 0.58042649061110 0.78796444783294 0.55358214158972 15.999 > 37 41 O 0.08042649061110 0.78796444783294 0.88691547492306 15.999 > 37 42 O 0.58042649061110 0.78796444783294 0.88691547492306 15.999 > 37 43 O 0.41957350938890 0.78796444783294 0.27975119174361 15.999 > 43 44 O 0.91957350938890 0.78796444783294 0.27975119174361 15.999 > 43 45 O 0.41957350938890 0.78796444783294 0.61308452507694 15.999 > 43 46 O 0.91957350938890 0.78796444783294 0.61308452507694 15.999 > 43 47 O 0.41957350938890 0.78796444783294 0.94641785841028 15.999 > 43 48 O 0.91957350938890 0.78796444783294 0.94641785841028 15.999 > 43 49 O 0.37618392964852 0.03083100581774 0.26302502556357 15.999 > 1 50 O 0.87618392964852 0.03083100581774 0.26302502556357 15.999 > 1 51 O 0.37618392964852 0.03083100581774 0.59635835889691 15.999 > 1 52 O 0.87618392964852 0.03083100581774 0.59635835889691 15.999 > 1 53 O 0.37618392964852 0.03083100581774 0.92969169223024 15.999 > 1 54 O 0.87618392964852 0.03083100581774 0.92969169223024 15.999 > 1 55 O 0.12381607035148 0.03083100581774 0.23697497443643 15.999 > 7 56 O 0.62381607035148 0.03083100581774 0.23697497443643 15.999 > 7 57 O 0.12381607035148 0.03083100581774 0.57030830776976 15.999 > 7 58 O 0.62381607035148 0.03083100581774 0.57030830776976 15.999 > 7 59 O 0.12381607035148 0.03083100581774 0.90364164110309 15.999 > 7 60 O 0.62381607035148 0.03083100581774 0.90364164110309 15.999 > 7 61 O 0.37381607035148 0.46916899418226 0.07030830776976 15.999 > 13 62 O 0.87381607035148 0.46916899418226 0.07030830776976 15.999 > 13 63 O 0.37381607035148 0.46916899418226 0.40364164110309 15.999 > 13 64 O 0.87381607035148 0.46916899418226 0.40364164110309 15.999 > 13 65 O 0.37381607035148 0.46916899418226 0.73697497443643 15.999 > 13 66 O 0.87381607035148 0.46916899418226 0.73697497443643 15.999 > 13 67 O 0.12618392964852 0.46916899418226 0.09635835889691 15.999 > 19 68 O 0.62618392964852 0.46916899418226 0.09635835889691 15.999 > 19 69 O 0.12618392964852 0.46916899418226 0.42969169223024 15.999 > 19 70 O 0.62618392964852 0.46916899418226 0.42969169223024 15.999 > 19 71 O 0.12618392964852 0.46916899418226 0.76302502556357 15.999 > 19 72 O 0.62618392964852 0.46916899418226 0.76302502556357 15.999 > 19 73 O 0.41957350938890 0.21203555216706 0.11308452507694 15.999 > 25 74 O 0.91957350938890 0.21203555216706 0.11308452507694 15.999 > 25 75 O 0.41957350938890 0.21203555216706 0.44641785841028 15.999 > 25 76 O 0.91957350938890 0.21203555216706 0.44641785841028 15.999 > 25 77 O 0.41957350938890 0.21203555216706 0.77975119174361 15.999 > 25 78 O 0.91957350938890 0.21203555216706 0.77975119174361 15.999 > 25 79 O 0.08042649061110 0.21203555216706 0.05358214158972 15.999 > 31 80 O 0.58042649061110 0.21203555216706 0.05358214158972 15.999 > 31 81 O 0.08042649061110 0.21203555216706 0.38691547492306 15.999 > 31 82 O 0.58042649061110 0.21203555216706 0.38691547492306 15.999 > 31 83 O 0.08042649061110 0.21203555216706 0.72024880825639 15.999 > 31 84 O 0.58042649061110 0.21203555216706 0.72024880825639 15.999 > 31 85 O 0.33042649061110 0.28796444783294 0.22024880825639 15.999 > 37 86 O 0.83042649061110 0.28796444783294 0.22024880825639 15.999 > 37 87 O 0.33042649061110 0.28796444783294 0.55358214158972 15.999 > 37 88 O 0.83042649061110 0.28796444783294 0.55358214158972 15.999 > 37 89 O 0.33042649061110 0.28796444783294 0.88691547492306 15.999 > 37 90 O 0.83042649061110 0.28796444783294 0.88691547492306 15.999 > 37 91 O 0.16957350938890 0.28796444783294 0.27975119174361 15.999 > 43 92 O 0.66957350938890 0.28796444783294 0.27975119174361 15.999 > 43 93 O 0.16957350938890 0.28796444783294 0.61308452507694 15.999 > 43 94 O 0.66957350938890 0.28796444783294 0.61308452507694 15.999 > 43 95 O 0.16957350938890 0.28796444783294 0.94641785841028 15.999 > 43 96 O 0.66957350938890 0.28796444783294 0.94641785841028 15.999 > 43 97 Y 0.25000000000000 0.87077562196831 0.25000000000000 88.906 > 97 98 Y 0.75000000000000 0.87077562196831 0.25000000000000 88.906 > 97 99 Y 0.25000000000000 0.87077562196831 0.58333333333333 88.906 > 97 100 Y 0.75000000000000 0.87077562196831 0.58333333333333 88.906 > 97 101 Y 0.25000000000000 0.87077562196831 0.91666666666667 88.906 > 97 102 Y 0.75000000000000 0.87077562196831 0.91666666666667 88.906 > 97 103 Y 0.00000000000000 0.62922437803169 0.08333333333333 88.906 > 103 104 Y 0.50000000000000 0.62922437803169 0.08333333333333 88.906 > 103 105 Y 0.00000000000000 0.62922437803169 0.41666666666667 88.906 > 103 106 Y 0.50000000000000 0.62922437803169 0.41666666666667 88.906 > 103 107 Y 0.00000000000000 0.62922437803169 0.75000000000000 88.906 > 103 108 Y 0.50000000000000 0.62922437803169 0.75000000000000 88.906 > 103 109 Y 0.00000000000000 0.37077562196831 0.25000000000000 88.906 > 97 110 Y 0.50000000000000 0.37077562196831 0.25000000000000 88.906 > 97 111 Y 0.00000000000000 0.37077562196831 0.58333333333333 88.906 > 97 112 Y 0.50000000000000 0.37077562196831 0.58333333333333 88.906 > 97 113 Y 0.00000000000000 0.37077562196831 0.91666666666667 88.906 > 97 114 Y 0.50000000000000 0.37077562196831 0.91666666666667 88.906 > 97 115 Y 0.25000000000000 0.12922437803169 0.08333333333333 88.906 > 103 116 Y 0.75000000000000 0.12922437803169 0.08333333333333 88.906 > 103 117 Y 0.25000000000000 0.12922437803169 0.41666666666667 88.906 > 103 118 Y 0.75000000000000 0.12922437803169 0.41666666666667 88.906 > 103 119 Y 0.25000000000000 0.12922437803169 0.75000000000000 88.906 > 103 120 Y 0.75000000000000 0.12922437803169 0.75000000000000 88.906 > 103 121 Nb 0.00000000000000 0.89445242189923 0.25000000000000 92.906 > 121 122 Nb 0.50000000000000 0.89445242189923 0.25000000000000 92.906 > 121 123 Nb 0.00000000000000 0.89445242189923 0.58333333333333 92.906 > 121 124 Nb 0.50000000000000 0.89445242189923 0.58333333333333 92.906 > 121 125 Nb 0.00000000000000 0.89445242189923 0.91666666666667 92.906 > 121 126 Nb 0.50000000000000 0.89445242189923 0.91666666666667 92.906 > 121 127 Nb 0.25000000000000 0.60554757810077 0.08333333333333 92.906 > 127 128 Nb 0.75000000000000 0.60554757810077 0.08333333333333 92.906 > 127 129 Nb 0.25000000000000 0.60554757810077 0.41666666666667 92.906 > 127 130 Nb 0.75000000000000 0.60554757810077 0.41666666666667 92.906 > 127 131 Nb 0.25000000000000 0.60554757810077 0.75000000000000 92.906 > 127 132 Nb 0.75000000000000 0.60554757810077 0.75000000000000 92.906 > 127 133 Nb 0.25000000000000 0.39445242189923 0.25000000000000 92.906 > 121 134 Nb 0.75000000000000 0.39445242189923 0.25000000000000 92.906 > 121 135 Nb 0.25000000000000 0.39445242189923 0.58333333333333 92.906 > 121 136 Nb 0.75000000000000 0.39445242189923 0.58333333333333 92.906 > 121 137 Nb 0.25000000000000 0.39445242189923 0.91666666666667 92.906 > 121 138 Nb 0.75000000000000 0.39445242189923 0.91666666666667 92.906 > 121 139 Nb 0.00000000000000 0.10554757810077 0.08333333333333 92.906 > 127 140 Nb 0.50000000000000 0.10554757810077 0.08333333333333 92.906 > 127 141 Nb 0.00000000000000 0.10554757810077 0.41666666666667 92.906 > 127 142 Nb 0.50000000000000 0.10554757810077 0.41666666666667 92.906 > 127 143 Nb 0.00000000000000 0.10554757810077 0.75000000000000 92.906 > 127 144 Nb 0.50000000000000 0.10554757810077 0.75000000000000 92.906 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.1901420 0.0000000 -0.3222515 0.0000000 4.8570356 0.0000000 -0.3222533 0.0000000 5.1023425 -------------------------- Born effective charges -------------------------- 1 O -1.8269669 0.1855875 0.0470110 0.0568111 -2.1159122 -0.6426201 0.0138934 -0.6790343 -3.4604308 2 O -1.8269669 -0.1855875 0.0470110 -0.0568111 -2.1159122 0.6426201 0.0138934 0.6790343 -3.4604308 3 O -1.8269669 0.1855875 0.0470110 0.0568111 -2.1159122 -0.6426201 0.0138934 -0.6790343 -3.4604308 4 O -1.8269669 -0.1855875 0.0470110 -0.0568111 -2.1159122 0.6426201 0.0138934 0.6790343 -3.4604308 5 O -3.3137414 0.9983326 0.3746365 1.0147095 -2.5363603 -0.5701802 0.4293466 -0.4366905 -1.5224792 6 O -3.3137414 -0.9983326 0.3746365 -1.0147095 -2.5363603 0.5701802 0.4293466 0.4366905 -1.5224792 7 O -3.3137414 0.9983326 0.3746365 1.0147095 -2.5363603 -0.5701802 0.4293466 -0.4366905 -1.5224792 8 O -3.3137414 -0.9983326 0.3746365 -1.0147095 -2.5363603 0.5701802 0.4293466 0.4366905 -1.5224792 9 Y 4.5725460 0.0000000 -0.1158964 0.0000000 3.9161895 0.0000000 0.4274933 0.0000000 4.4418549 10 Y 4.5725460 0.0000000 -0.1158964 0.0000000 3.9161895 0.0000000 0.4274933 0.0000000 4.4418549 11 Nb 5.7088706 0.0000000 -0.7273987 0.0000000 5.3883556 0.0000000 -1.3139734 0.0000000 5.5239651 12 Nb 5.7088706 0.0000000 -0.7273987 0.0000000 5.3883556 0.0000000 -1.3139734 0.0000000 5.5239651 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy) 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 ... [ 11 11 13 ] 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: 0.79, Number of G-points: 301, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/432) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 4.002 ( 0.000 0.000 0.000) 0.000 4.300 ( 0.000 0.000 0.000) 0.000 4.596 ( 0.000 0.000 0.000) 0.000 4.853 ( 0.000 0.000 0.000) 0.000 5.147 ( 0.000 0.000 0.000) 0.000 5.168 ( 0.000 0.000 0.000) 0.000 6.217 ( 0.000 0.000 0.000) 0.000 6.310 ( 0.000 0.000 0.000) 0.000 6.380 ( 0.000 0.000 0.000) 0.000 6.708 ( 0.000 0.000 0.000) 0.000 6.891 ( 0.000 0.000 0.000) 0.000 6.905 ( 0.000 0.000 0.000) 0.000 7.273 ( 0.000 0.000 0.000) 0.000 8.306 ( 0.000 0.000 0.000) 0.000 9.435 ( 0.000 0.000 0.000) 0.000 9.538 ( 0.000 0.000 0.000) 0.000 9.764 ( 0.000 0.000 0.000) 0.000 9.919 ( 0.000 0.000 0.000) 0.000 11.134 ( 0.000 0.000 0.000) 0.000 11.204 ( 0.000 0.000 0.000) 0.000 12.158 ( 0.000 0.000 0.000) 0.000 12.750 ( 0.000 0.000 0.000) 0.000 12.841 ( 0.000 0.000 0.000) 0.000 13.507 ( 0.000 0.000 0.000) 0.000 15.701 ( 0.000 0.000 0.000) 0.000 16.882 ( 0.000 0.000 0.000) 0.000 18.557 ( 0.000 0.000 0.000) 0.000 19.502 ( 0.000 0.000 0.000) 0.000 19.575 ( 0.000 0.000 0.000) 0.000 19.922 ( 0.000 0.000 0.000) 0.000 20.863 ( 0.000 0.000 0.000) 0.000 22.982 ( 0.000 0.000 0.000) 0.000 23.775 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/432) ======================= q-point: ( 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( 1.415 -18.638 31.468) 36.600 0.647 ( 18.980 -37.856 7.767) 43.054 1.301 ( 53.058 -13.289 42.512) 69.275 3.945 ( -6.870 -0.329 0.824) 6.927 4.304 ( 5.418 3.838 -3.133) 7.341 4.716 ( -0.599 8.012 17.973) 19.687 4.829 ( 0.198 2.662 3.904) 4.730 5.194 ( 3.310 2.234 0.286) 4.004 5.521 ( 26.256 3.021 -24.089) 35.760 6.149 ( -3.641 8.134 -3.649) 9.630 6.179 ( -6.798 6.554 -1.339) 9.538 6.449 ( 9.528 2.441 -10.268) 14.219 6.804 ( -6.764 7.961 2.977) 10.863 6.892 ( 0.402 5.280 2.441) 5.831 7.211 ( 15.157 7.057 10.395) 19.687 7.789 ( -5.265 -19.668 -11.634) 23.450 8.427 ( -11.320 -28.474 -6.546) 31.333 9.412 ( -1.704 -5.719 -5.631) 8.204 9.542 ( 1.658 8.542 4.680) 9.880 9.737 ( -2.153 1.084 -1.266) 2.723 10.891 ( 44.116 31.648 -33.787) 63.948 11.209 ( 8.981 -14.766 -9.672) 19.805 11.536 ( 2.616 35.434 31.672) 47.598 12.151 ( 0.514 -0.682 -1.887) 2.071 12.767 ( 1.798 -3.495 -1.317) 4.145 13.218 ( -11.654 -53.948 -28.885) 62.294 13.488 ( -2.983 -2.303 -1.689) 4.130 15.629 ( -6.296 -1.353 -9.524) 11.497 17.927 ( -41.332 51.410 87.854) 109.862 18.888 ( -44.536 -38.276 19.821) 61.979 19.441 ( -8.357 -1.802 -2.293) 8.851 19.919 ( -2.328 -2.370 -0.428) 3.350 20.899 ( 3.857 1.103 3.278) 5.180 22.502 ( 55.238 56.758 -17.193) 81.045 23.577 ( 5.989 -48.028 -45.007) 66.092 23.788 ( 1.597 -0.651 -0.474) 1.788 ======================= Grid point 2 (3/432) ======================= q-point: ( 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 2.368 -19.762 31.733) 37.458 1.298 ( 20.266 -34.614 8.933) 41.093 2.542 ( 50.044 -11.601 38.759) 64.352 3.906 ( -3.842 -0.878 4.359) 5.876 4.275 ( 4.431 7.481 -5.841) 10.475 4.766 ( 2.852 14.341 12.164) 19.020 4.988 ( 3.234 3.784 15.445) 16.227 5.172 ( 1.746 6.366 -4.512) 7.996 5.556 ( 6.191 -7.011 -8.893) 12.906 6.008 ( 0.837 9.115 -10.773) 14.137 6.051 ( 5.537 2.713 -6.130) 8.695 6.406 ( 5.537 -1.311 -11.168) 12.534 6.674 ( -12.774 1.986 3.840) 13.486 6.879 ( 0.662 6.902 2.950) 7.535 7.444 ( 10.329 -2.493 3.028) 11.049 7.733 ( -2.357 -3.903 -6.862) 8.239 8.461 ( -7.915 -17.732 0.875) 19.438 9.379 ( -2.640 -10.668 -6.705) 12.874 9.536 ( 1.253 13.423 6.946) 15.166 9.675 ( -1.378 2.637 -1.644) 3.399 10.813 ( 15.032 17.430 -10.876) 25.457 11.366 ( 9.575 -17.262 -7.902) 21.263 11.624 ( -2.337 15.948 18.762) 24.735 12.150 ( 2.113 -1.248 -2.265) 3.340 12.833 ( 4.079 -10.137 -3.881) 11.596 13.184 ( -5.482 -14.441 -6.277) 16.673 13.424 ( -5.873 -1.870 -2.912) 6.816 15.380 ( -9.896 2.592 -13.884) 17.246 17.977 ( -18.159 22.937 42.007) 51.190 18.845 ( -10.326 -9.654 0.005) 14.136 19.282 ( -15.815 -5.716 -2.140) 16.951 19.868 ( -5.268 -1.137 -3.139) 6.237 21.026 ( 6.704 -0.048 7.419) 10.000 22.559 ( 29.120 25.087 -9.303) 39.546 23.537 ( 0.711 -23.166 -20.969) 31.255 23.807 ( 0.274 0.404 1.127) 1.228 ======================= Grid point 3 (4/432) ======================= q-point: ( 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 4.269 -20.382 29.720) 36.290 1.947 ( 20.862 -29.410 11.390) 37.814 3.632 ( 43.442 -6.993 28.951) 52.672 3.939 ( -1.469 1.278 5.877) 6.191 4.186 ( 2.805 8.583 -3.248) 9.596 4.830 ( 2.375 15.064 6.682) 16.649 5.003 ( -1.333 9.332 0.016) 9.426 5.189 ( 4.471 2.533 10.255) 11.471 5.610 ( 5.769 -4.574 -8.455) 11.211 5.804 ( 2.234 7.121 -10.197) 12.636 6.102 ( 6.803 -2.551 -2.273) 7.612 6.386 ( 1.434 -6.566 -6.076) 9.060 6.546 ( -13.743 -2.160 4.942) 14.763 6.865 ( 2.941 7.818 1.379) 8.466 7.533 ( 1.163 8.052 -3.405) 8.820 7.677 ( 5.882 -7.866 -7.799) 12.542 8.525 ( -8.743 -15.001 4.193) 17.862 9.330 ( -5.963 -3.939 -5.108) 8.784 9.529 ( -0.968 8.592 6.308) 10.703 9.675 ( 7.585 1.302 1.892) 7.925 10.742 ( 4.629 6.385 -6.402) 10.158 11.523 ( 8.882 -3.124 -7.815) 12.237 11.632 ( -6.893 1.566 12.353) 14.232 12.179 ( 3.872 -1.389 -1.589) 4.410 12.916 ( 1.589 -15.589 -9.444) 18.296 13.228 ( 1.818 -0.588 9.259) 9.454 13.297 ( -8.699 0.729 -2.665) 9.127 15.036 ( -11.478 3.920 -16.582) 20.544 18.018 ( -10.638 12.238 22.749) 27.936 18.784 ( 5.070 6.163 -6.788) 10.477 19.119 ( -19.272 -11.988 1.845) 22.771 19.730 ( -7.089 1.302 -6.177) 9.492 21.217 ( 6.385 -0.968 9.015) 11.090 22.616 ( 18.885 13.322 -7.460) 24.286 23.512 ( 0.978 -14.955 -12.745) 19.674 23.810 ( -1.976 1.567 2.774) 3.749 ======================= Grid point 4 (5/432) ======================= q-point: ( 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 4.991 -18.087 22.459) 29.265 2.581 ( 19.495 -23.026 15.173) 33.771 3.929 ( -1.300 5.955 0.835) 6.152 4.034 ( 3.194 8.099 -3.630) 9.433 4.464 ( 15.680 2.976 10.432) 19.067 4.635 ( 6.056 9.362 -4.817) 12.147 5.074 ( 3.508 6.422 13.121) 15.024 5.383 ( 2.977 -1.852 9.442) 10.072 5.466 ( 6.330 2.625 -16.510) 17.876 5.837 ( 3.982 2.394 6.732) 8.179 6.186 ( 4.994 -4.746 -1.051) 6.970 6.382 ( -3.683 -7.591 -3.971) 9.325 6.505 ( -10.366 -6.080 10.001) 15.635 6.855 ( 5.391 6.430 -2.472) 8.748 7.304 ( -6.910 10.971 -11.501) 17.332 7.835 ( 15.814 -7.386 -3.403) 17.782 8.546 ( -13.560 -12.236 3.053) 18.517 9.198 ( -4.397 4.689 -3.359) 7.253 9.482 ( -3.243 5.477 2.022) 6.678 9.902 ( 14.120 -2.246 8.268) 16.516 10.693 ( -0.431 -5.043 -4.864) 7.020 11.377 ( -7.673 16.334 -1.849) 18.141 11.791 ( 6.208 -12.540 0.800) 14.015 12.227 ( 3.768 -0.921 -0.884) 3.978 12.918 ( -2.859 -9.994 -5.547) 11.782 13.103 ( -7.833 5.647 -4.704) 10.741 13.475 ( 7.144 -4.405 15.368) 17.510 14.659 ( -11.146 4.455 -17.016) 20.824 18.008 ( -6.070 6.423 8.316) 12.135 18.741 ( 7.202 9.819 -2.234) 12.380 19.034 ( -13.445 -11.163 2.981) 17.728 19.546 ( -6.573 1.611 -7.157) 9.850 21.383 ( 3.714 -0.339 6.829) 7.781 22.654 ( 11.253 6.505 -5.514) 14.120 23.523 ( 2.548 -10.061 -7.781) 12.971 23.793 ( -3.446 2.355 3.366) 5.362 ======================= Grid point 5 (6/432) ======================= q-point: ( 0.45 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( 2.525 -8.255 8.939) 12.427 3.138 ( 12.795 -13.940 13.466) 23.224 3.829 ( -5.575 6.054 -1.525) 8.371 3.910 ( 0.228 4.928 -9.159) 10.403 4.288 ( -3.611 8.591 -2.649) 9.688 4.926 ( 13.738 -2.449 2.458) 14.169 5.150 ( -6.248 7.866 7.271) 12.400 5.282 ( 4.631 -2.899 -9.884) 11.293 5.636 ( 3.297 -1.376 5.850) 6.854 5.950 ( 3.437 2.157 7.235) 8.295 6.285 ( 7.470 -5.771 -8.392) 12.631 6.379 ( -4.703 -2.447 11.572) 12.728 6.547 ( -6.313 -4.641 4.755) 9.166 6.844 ( 5.196 1.669 -4.058) 6.801 6.978 ( -7.598 8.622 -10.061) 15.274 8.098 ( 18.546 -3.530 -0.081) 18.879 8.421 ( -17.835 -4.494 -0.104) 18.393 9.105 ( -0.692 3.038 -0.788) 3.214 9.428 ( -1.500 2.195 0.347) 2.681 10.157 ( 8.085 0.444 5.020) 9.527 10.744 ( 1.391 -14.287 -0.518) 14.364 11.087 ( -7.942 16.329 -3.593) 18.510 11.953 ( 4.057 -5.744 0.279) 7.037 12.261 ( 1.531 -0.294 -0.294) 1.586 12.896 ( -6.451 -4.866 0.650) 8.106 12.938 ( 0.560 5.193 -4.254) 6.736 13.784 ( 7.050 -4.504 12.321) 14.893 14.311 ( -8.043 3.968 -12.875) 15.691 17.968 ( -1.900 2.175 1.239) 3.142 18.749 ( 2.765 3.865 1.138) 4.887 19.008 ( -4.225 -3.761 1.130) 5.768 19.405 ( -2.961 0.370 -3.679) 4.737 21.467 ( 1.055 0.103 2.437) 2.657 22.674 ( 3.812 1.887 -2.045) 4.719 23.555 ( 1.891 -4.176 -3.028) 5.494 23.767 ( -2.162 1.567 1.845) 3.245 ======================= Grid point 12 (7/432) ======================= q-point: ( 0.09 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 3.828 0.000 35.035) 35.243 0.937 ( 25.911 0.000 15.626) 30.258 2.450 ( 53.028 0.000 41.608) 67.403 3.899 ( -3.873 -0.000 4.995) 6.321 4.340 ( 5.709 0.000 -6.254) 8.468 4.907 ( 0.608 0.000 10.183) 10.201 5.016 ( 2.428 0.000 20.159) 20.305 5.228 ( 0.437 0.000 -2.278) 2.320 5.481 ( 7.248 0.000 -12.336) 14.307 6.060 ( 3.692 0.000 -15.187) 15.629 6.120 ( -3.139 -0.000 -2.345) 3.918 6.388 ( 7.025 0.000 -19.326) 20.563 6.677 ( -16.859 -0.000 4.205) 17.375 7.058 ( 7.735 0.000 2.221) 8.048 7.302 ( 2.815 0.000 -3.362) 4.385 7.713 ( 4.638 0.000 0.523) 4.667 8.281 ( -6.309 -0.000 6.758) 9.245 9.280 ( -2.960 -0.000 -6.359) 7.014 9.659 ( 2.014 0.000 4.585) 5.007 9.701 ( -0.496 -0.000 -2.182) 2.238 11.026 ( -5.237 -0.000 -4.209) 6.719 11.145 ( 25.059 0.000 -17.787) 30.730 11.911 ( 0.277 0.000 8.877) 8.882 12.134 ( 1.994 0.000 -1.982) 2.812 12.612 ( 1.680 0.000 -10.716) 10.847 13.037 ( 1.748 0.000 10.544) 10.688 13.424 ( -3.916 -0.000 -2.496) 4.644 15.399 ( -10.315 -0.000 -12.851) 16.479 18.263 ( -48.890 -0.000 52.564) 71.786 18.670 ( 10.088 0.000 -1.678) 10.226 19.246 ( -12.435 -0.000 -6.843) 14.194 19.859 ( -4.250 -0.000 -1.698) 4.576 21.030 ( 4.275 0.000 9.537) 10.451 23.046 ( 29.286 0.000 -40.668) 50.116 23.069 ( 4.288 0.000 1.502) 4.544 23.810 ( 0.686 0.000 1.496) 1.646 ======================= Grid point 13 (8/432) ======================= q-point: ( 0.18 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 4.456 -8.346 35.187) 36.437 1.541 ( 26.503 -15.361 16.480) 34.785 3.554 ( 47.585 -2.278 33.610) 58.302 3.956 ( 1.209 0.615 6.959) 7.090 4.311 ( 3.127 4.870 -4.890) 7.576 5.018 ( 1.792 6.414 7.488) 10.021 5.124 ( -4.457 4.933 -3.189) 7.373 5.195 ( -2.701 -1.484 8.578) 9.115 5.541 ( 9.098 -2.597 0.889) 9.503 5.924 ( 6.190 6.339 -15.550) 17.897 6.066 ( 5.769 -2.445 -10.695) 12.396 6.271 ( -0.574 -5.271 -8.768) 10.246 6.514 ( -18.299 -1.088 7.527) 19.816 7.080 ( 6.045 16.957 1.778) 18.090 7.408 ( 6.476 -17.762 -5.117) 19.586 7.694 ( -1.781 4.494 -4.895) 6.879 8.312 ( -9.218 -8.035 8.570) 14.933 9.210 ( -4.156 -5.138 -2.283) 6.991 9.692 ( 1.108 6.197 2.226) 6.677 9.707 ( 6.353 1.763 0.253) 6.598 10.855 ( -4.983 5.020 -7.275) 10.147 11.335 ( 17.272 -8.891 -6.269) 20.412 11.913 ( -4.161 19.686 11.781) 23.316 12.161 ( 3.787 -0.712 -0.974) 3.975 12.592 ( 0.549 -19.467 -11.535) 22.634 13.202 ( 2.477 -1.158 12.253) 12.554 13.325 ( -5.541 1.255 -3.269) 6.554 15.075 ( -12.441 1.054 -16.483) 20.678 18.196 ( -23.097 7.329 25.660) 35.294 18.816 ( 10.912 -2.562 -1.389) 11.294 18.988 ( -14.340 -2.101 -7.888) 16.501 19.752 ( -6.323 0.862 -4.785) 7.976 21.219 ( 4.136 0.505 13.503) 14.131 22.862 ( 16.861 15.153 -19.370) 29.818 23.237 ( 4.893 -16.414 -7.321) 18.627 23.831 ( -1.062 0.722 2.878) 3.151 ======================= Grid point 14 (9/432) ======================= q-point: ( 0.27 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 6.996 -10.470 30.330) 32.840 2.215 ( 24.069 -18.670 18.409) 35.592 4.023 ( 0.830 4.536 3.496) 5.787 4.187 ( 2.812 9.809 -2.848) 10.594 4.455 ( 31.946 -2.297 15.652) 35.649 4.841 ( -8.931 11.599 -7.477) 16.438 5.096 ( 1.436 -1.948 -2.451) 3.445 5.324 ( 0.464 -4.953 14.071) 14.925 5.545 ( 6.903 6.801 -18.744) 21.101 5.892 ( 5.849 3.379 5.941) 8.996 6.082 ( 7.666 -7.811 -9.839) 14.717 6.268 ( -5.774 -4.966 6.475) 9.996 6.427 ( -12.822 -3.179 11.266) 17.362 7.014 ( 4.144 12.828 -2.942) 13.798 7.452 ( -6.889 4.230 -12.246) 14.674 7.654 ( 11.475 -12.290 -1.438) 16.876 8.339 ( -12.991 -10.450 6.660) 17.953 9.166 ( -6.952 -4.456 -0.811) 8.297 9.645 ( -0.281 10.337 1.289) 10.421 9.882 ( 16.412 -0.461 5.118) 17.197 10.670 ( -5.885 0.485 -7.888) 9.853 11.575 ( 17.088 -6.457 -3.550) 18.609 11.754 ( -9.039 22.088 7.690) 25.074 12.212 ( 3.624 -0.772 -0.052) 3.706 12.656 ( -1.700 -20.566 -6.298) 21.576 13.185 ( -6.524 3.687 -3.795) 8.400 13.417 ( 5.303 -2.414 14.598) 15.718 14.706 ( -12.275 1.496 -17.529) 21.452 18.124 ( -10.751 6.895 9.832) 16.118 18.764 ( -15.581 -8.016 -3.546) 17.877 18.960 ( 14.740 3.779 -1.763) 15.319 19.580 ( -6.864 1.923 -7.221) 10.147 21.408 ( 1.944 2.502 13.694) 14.056 22.759 ( 11.204 6.006 -15.716) 20.214 23.339 ( 4.605 -10.766 -4.460) 12.530 23.834 ( -2.926 2.020 4.161) 5.473 ======================= Grid point 15 (10/432) ======================= q-point: ( 0.36 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 7.991 -6.277 21.115) 23.433 2.863 ( 18.616 -17.118 18.573) 31.377 3.956 ( -5.055 8.314 -0.973) 9.779 4.012 ( -4.219 7.495 -10.201) 13.343 4.505 ( -8.714 15.073 -5.642) 18.302 4.879 ( 15.042 -3.180 -2.825) 15.632 5.128 ( 3.292 -11.578 -5.043) 13.051 5.266 ( -7.384 3.734 -12.350) 14.865 5.623 ( 10.218 -0.756 6.393) 12.077 5.989 ( 1.340 2.022 2.703) 3.632 6.173 ( 5.671 -7.321 2.733) 9.655 6.346 ( -4.573 -0.870 15.481) 16.165 6.491 ( -3.869 -2.517 11.512) 12.403 6.912 ( 2.695 7.171 -7.319) 10.595 7.124 ( -9.597 7.587 -13.523) 18.236 7.966 ( 17.723 -12.949 2.327) 22.073 8.282 ( -17.437 -8.740 3.464) 19.810 9.094 ( -6.664 -2.556 -0.833) 7.186 9.556 ( -0.754 9.943 -0.245) 9.974 10.178 ( 14.461 1.686 4.585) 15.264 10.562 ( -0.118 -7.445 -3.673) 8.303 11.454 ( -5.600 26.431 -1.543) 27.062 11.846 ( 10.999 -6.347 3.475) 13.166 12.254 ( 1.352 -0.527 0.512) 1.538 12.731 ( -3.776 -14.954 -0.443) 15.430 13.028 ( -4.174 4.997 -3.752) 7.514 13.705 ( 7.909 -4.561 14.178) 16.863 14.351 ( -10.675 1.114 -15.369) 18.745 18.031 ( -4.270 5.257 0.663) 6.805 18.642 ( -13.341 -11.816 -0.364) 17.825 19.085 ( 15.018 8.231 -2.457) 17.301 19.418 ( -3.267 0.752 -5.226) 6.208 21.519 ( -1.119 5.373 10.136) 11.527 22.686 ( 5.066 -0.305 -11.684) 12.738 23.441 ( 5.262 -7.732 -2.331) 9.638 23.819 ( -3.581 3.426 4.775) 6.882 ======================= Grid point 16 (11/432) ======================= q-point: (-0.55 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( 5.073 6.360 4.767) 9.429 3.258 ( -1.493 -0.908 1.945) 2.615 3.769 ( -0.917 0.062 -1.311) 1.601 3.866 ( -3.662 0.256 0.864) 3.771 4.268 ( -4.403 5.470 -3.659) 7.918 4.953 ( -1.088 -1.311 -9.517) 9.668 4.999 ( -7.178 -7.611 -12.328) 16.169 5.228 ( -1.887 -8.411 4.973) 9.951 5.678 ( 1.345 3.175 -8.235) 8.928 5.928 ( -3.977 -0.431 -5.912) 7.138 6.362 ( -3.857 3.050 15.867) 16.611 6.405 ( 1.183 0.616 -6.593) 6.727 6.629 ( 3.042 2.416 15.245) 15.733 6.815 ( -2.059 0.313 -10.629) 10.831 6.909 ( 1.697 0.738 3.631) 4.075 8.110 ( -17.239 -1.598 0.797) 17.331 8.355 ( 16.597 -11.803 5.536) 21.105 9.030 ( -5.298 -3.411 -0.814) 6.354 9.477 ( 0.184 5.042 -1.036) 5.151 10.176 ( -4.083 3.034 -7.305) 8.902 10.801 ( 16.677 -8.606 6.230) 19.774 11.151 ( -5.031 24.316 -0.129) 24.831 12.021 ( 5.241 2.245 3.062) 6.471 12.264 ( -1.601 -0.024 0.999) 1.887 12.808 ( -2.344 -10.211 3.992) 11.212 12.954 ( 3.260 2.043 -1.530) 4.140 13.846 ( -3.347 2.826 -9.154) 10.148 14.220 ( 3.272 -6.659 9.169) 11.795 17.960 ( -0.457 1.249 -2.682) 2.994 18.579 ( -11.167 -12.702 -1.345) 16.966 19.141 ( 12.834 8.520 -5.186) 16.254 19.412 ( 5.486 1.069 2.268) 6.031 21.523 ( -3.410 6.566 4.768) 8.802 22.621 ( -2.115 -4.481 -6.956) 8.540 23.543 ( 4.217 -4.273 0.238) 6.008 23.800 ( -2.042 4.290 4.121) 6.289 ======================= Grid point 17 (12/432) ======================= q-point: (-0.45 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( -0.909 19.885 -15.784) 25.404 2.925 ( -17.577 17.231 -9.916) 26.537 3.846 ( 2.622 -3.913 1.468) 4.934 3.916 ( -6.156 -6.117 3.934) 9.528 4.309 ( 5.364 -11.361 4.713) 13.419 4.616 ( -23.260 3.022 -9.948) 25.478 4.912 ( -3.054 -10.841 -16.281) 19.797 5.367 ( -3.082 -7.469 14.331) 16.452 5.417 ( -8.506 -0.061 -20.882) 22.548 5.845 ( -1.739 3.160 -1.218) 3.806 6.249 ( -3.520 2.982 -3.341) 5.696 6.488 ( 2.040 4.913 6.245) 8.203 6.608 ( -0.098 4.381 -9.147) 10.143 6.795 ( -2.265 -0.312 6.996) 7.360 7.128 ( 6.873 -9.094 10.157) 15.268 7.905 ( -15.482 1.870 2.577) 15.806 8.665 ( 12.303 -0.525 2.917) 12.655 9.023 ( -1.563 -10.562 0.118) 10.678 9.464 ( 1.815 -0.428 -0.410) 1.909 9.955 ( -8.107 4.273 -10.370) 13.839 10.903 ( -1.710 20.895 2.537) 21.118 11.175 ( 14.258 -8.420 4.144) 17.069 11.999 ( -2.321 11.775 1.869) 12.146 12.240 ( -3.858 0.591 1.767) 4.284 12.933 ( -0.285 -8.014 5.340) 9.634 13.057 ( 11.569 0.371 4.629) 12.466 13.556 ( -8.063 5.014 -15.937) 18.551 14.553 ( 9.690 -8.161 16.568) 20.856 17.920 ( 1.564 -4.075 -9.381) 10.347 18.554 ( -7.379 -11.354 2.474) 13.765 19.204 ( 16.580 7.900 -4.951) 19.022 19.545 ( 8.415 1.712 5.973) 10.460 21.436 ( -5.593 6.124 -0.536) 8.311 22.539 ( -9.902 -7.554 -2.891) 12.785 23.623 ( 1.663 0.762 4.826) 5.161 23.795 ( 1.273 3.644 1.666) 4.204 ======================= Grid point 18 (13/432) ======================= q-point: (-0.36 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -3.467 24.587 -25.250) 35.414 2.415 ( -18.512 24.983 -7.268) 31.932 3.744 ( -30.129 3.309 -12.222) 32.682 3.927 ( 4.462 -0.549 -4.029) 6.037 4.097 ( -9.660 1.795 -6.704) 11.895 4.550 ( -2.924 -17.916 -6.267) 19.204 4.833 ( -1.449 -10.337 0.748) 10.465 5.115 ( -8.819 -5.842 -14.625) 18.050 5.582 ( -4.008 -9.728 16.229) 19.341 5.770 ( -1.549 4.245 -1.605) 4.795 6.161 ( -5.620 4.406 0.715) 7.178 6.451 ( 0.138 -0.013 -6.048) 6.049 6.554 ( 0.338 -0.202 0.069) 0.400 6.838 ( 1.638 3.349 4.221) 5.632 7.360 ( 1.321 -10.848 3.868) 11.592 7.777 ( -7.425 3.875 6.516) 10.612 8.733 ( 3.651 8.604 1.267) 9.432 9.162 ( 3.537 -16.871 -3.256) 17.543 9.515 ( 2.856 -1.758 2.417) 4.133 9.709 ( -6.159 5.605 -7.083) 10.932 10.753 ( -6.039 11.056 2.690) 12.882 11.419 ( 10.772 -5.133 -1.124) 11.985 11.854 ( -3.723 15.858 0.899) 16.314 12.202 ( -4.161 1.306 2.485) 5.020 13.048 ( -1.023 -1.435 7.992) 8.184 13.225 ( -4.270 2.525 -7.607) 9.081 13.321 ( 12.436 1.716 1.763) 12.677 14.938 ( 10.074 -7.862 16.186) 20.622 17.825 ( 1.214 -10.429 -21.320) 23.765 18.663 ( 0.930 -7.434 9.957) 12.461 19.313 ( 20.228 10.129 -5.011) 23.170 19.723 ( 8.664 0.746 7.055) 11.198 21.267 ( -8.473 5.274 -4.373) 10.897 22.418 ( -17.965 -10.890 -0.543) 21.015 23.698 ( 0.975 5.348 10.607) 11.919 23.803 ( 3.045 2.870 -0.652) 4.234 ======================= Grid point 19 (14/432) ======================= q-point: (-0.27 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -2.578 26.830 -24.863) 36.670 1.859 ( -18.667 29.291 -8.975) 35.874 2.857 ( -39.767 26.110 -26.634) 54.520 3.931 ( 4.722 2.214 -3.544) 6.306 4.111 ( -3.079 -11.323 3.335) 12.199 4.488 ( -5.743 -18.044 -12.906) 22.916 4.895 ( -3.175 -7.043 -11.246) 13.644 5.034 ( -4.004 -9.647 8.477) 13.452 5.649 ( -8.440 2.204 4.853) 9.983 5.824 ( -0.754 -10.661 5.674) 12.100 6.054 ( -7.549 2.753 5.796) 9.908 6.409 ( -3.556 -1.599 0.066) 3.899 6.595 ( 7.274 -5.317 -5.421) 10.515 6.883 ( 3.094 3.816 3.347) 5.945 7.381 ( -9.306 -7.042 -4.315) 12.443 7.811 ( 3.459 4.223 8.512) 10.112 8.726 ( 4.346 11.696 5.569) 13.664 9.257 ( 0.721 -18.070 -9.498) 20.427 9.563 ( -0.814 7.677 1.207) 7.814 9.627 ( 2.448 -3.602 4.066) 5.958 10.602 ( -14.947 -1.320 0.756) 15.024 11.496 ( 4.807 -0.495 -7.528) 8.945 11.676 ( -3.012 17.467 0.244) 17.726 12.174 ( -2.731 1.510 2.597) 4.060 12.937 ( -6.464 4.866 -6.248) 10.222 13.245 ( 2.757 -5.013 6.807) 8.892 13.559 ( 14.049 9.323 12.903) 21.232 15.301 ( 8.720 -7.245 14.545) 18.441 17.641 ( 1.580 -16.424 -33.720) 37.540 18.901 ( 11.988 -1.088 9.650) 15.428 19.437 ( 20.554 11.018 -4.497) 23.751 19.896 ( 7.772 2.179 5.628) 9.840 21.050 ( -10.256 3.236 -4.650) 11.717 22.232 ( -27.536 -15.155 0.024) 31.431 23.796 ( 0.227 -0.548 2.024) 2.110 23.824 ( 4.831 11.906 13.198) 18.419 ======================= Grid point 20 (15/432) ======================= q-point: (-0.18 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -1.307 29.577 -18.836) 35.089 1.211 ( -24.301 25.204 -18.689) 39.687 1.826 ( -27.833 47.511 -17.395) 57.746 3.958 ( 6.034 1.261 -0.844) 6.222 4.182 ( -5.885 -10.417 2.214) 12.167 4.474 ( -1.046 -18.512 -9.412) 20.794 4.784 ( -3.860 -3.256 -4.781) 6.954 5.127 ( -3.469 -5.681 3.614) 7.574 5.502 ( -20.029 0.391 2.578) 20.198 5.966 ( 5.146 -10.197 3.714) 12.011 6.111 ( 0.064 -3.739 7.226) 8.136 6.385 ( -6.335 -4.864 2.036) 8.242 6.674 ( 7.391 -5.249 -6.654) 11.245 6.923 ( 1.967 3.737 2.975) 5.166 7.171 ( -13.596 -0.827 -9.973) 16.882 7.936 ( 6.404 4.021 6.307) 9.847 8.842 ( 14.483 14.662 16.873) 26.636 9.305 ( 0.596 -17.743 -8.297) 19.596 9.534 ( -0.026 4.878 2.869) 5.659 9.725 ( 1.326 -1.236 3.539) 3.976 10.366 ( -32.566 -15.434 -4.327) 36.297 11.389 ( 0.514 5.616 -11.835) 13.110 11.499 ( -1.821 17.630 0.214) 17.725 12.165 ( -1.047 1.010 1.735) 2.264 12.795 ( -2.607 1.681 -3.375) 4.584 13.395 ( 1.918 -5.236 4.980) 7.476 13.863 ( 16.302 16.182 28.061) 36.264 15.611 ( 6.446 -5.088 14.059) 16.282 17.343 ( 1.666 -20.294 -51.656) 55.524 19.200 ( 25.057 4.253 3.268) 25.625 19.550 ( 19.019 10.633 -5.010) 22.358 19.989 ( 4.239 5.709 2.058) 7.403 20.885 ( -7.322 -0.036 -0.270) 7.327 21.933 ( -41.468 -18.353 -0.284) 45.348 23.791 ( 0.434 0.645 -1.128) 1.370 24.013 ( 6.125 11.295 22.715) 26.097 ======================= Grid point 21 (16/432) ======================= q-point: (-0.09 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( -0.000 30.348 -0.000) 30.348 0.564 ( -0.000 33.572 -0.000) 33.572 1.075 ( -0.000 63.568 -0.000) 63.568 4.006 ( -0.000 0.544 -0.000) 0.544 4.222 ( 0.000 -8.745 0.000) 8.745 4.520 ( 0.000 -10.968 0.000) 10.968 4.769 ( 0.000 -4.907 0.000) 4.907 5.161 ( 0.000 -3.712 0.000) 3.712 5.252 ( -0.000 8.528 -0.000) 8.528 6.154 ( 0.000 -8.705 0.000) 8.705 6.227 ( 0.000 -7.092 0.000) 7.092 6.354 ( 0.000 -3.173 0.000) 3.173 6.696 ( 0.000 -1.225 0.000) 1.225 6.931 ( -0.000 3.091 -0.000) 3.091 6.944 ( -0.000 4.681 -0.000) 4.681 8.007 ( -0.000 1.804 -0.000) 1.804 9.300 ( 0.000 -4.203 0.000) 4.203 9.394 ( 0.000 -15.558 0.000) 15.558 9.514 ( -0.000 5.772 -0.000) 5.772 9.786 ( 0.000 -13.804 0.000) 13.804 9.842 ( -0.000 11.773 -0.000) 11.773 11.227 ( -0.000 9.952 -0.000) 9.952 11.350 ( -0.000 15.211 -0.000) 15.211 12.163 ( -0.000 0.591 -0.000) 0.591 12.753 ( -0.000 0.451 -0.000) 0.451 13.474 ( 0.000 -3.920 0.000) 3.920 14.277 ( 0.000 -2.914 0.000) 2.914 15.884 ( 0.000 -8.352 0.000) 8.352 16.890 ( -0.000 0.945 -0.000) 0.945 19.453 ( 0.000 -3.629 0.000) 3.629 19.648 ( -0.000 6.384 -0.000) 6.384 19.970 ( -0.000 5.641 -0.000) 5.641 20.858 ( 0.000 -0.516 0.000) 0.516 21.550 ( 0.000 -1.914 0.000) 1.914 23.781 ( -0.000 0.638 -0.000) 0.638 24.240 ( 0.000 -0.469 0.000) 0.469 ======================= Grid point 24 (17/432) ======================= q-point: ( 0.18 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 5.911 0.000 36.392) 36.869 2.042 ( 28.567 0.000 17.584) 33.545 4.063 ( 1.951 0.000 4.884) 5.259 4.305 ( -1.269 -0.000 -3.578) 3.796 4.409 ( 37.773 0.000 15.590) 40.864 4.950 ( -10.356 -0.000 -6.013) 11.975 5.075 ( 0.435 0.000 -9.950) 9.960 5.266 ( -1.809 -0.000 17.039) 17.135 5.622 ( 7.840 0.000 -18.029) 19.660 5.947 ( 5.308 0.000 -4.655) 7.060 5.969 ( 9.276 0.000 -4.241) 10.200 6.228 ( -5.591 -0.000 11.447) 12.740 6.400 ( -13.384 -0.000 11.107) 17.393 7.229 ( 2.132 0.000 -8.768) 9.023 7.338 ( 6.053 0.000 -2.681) 6.621 7.590 ( -3.859 -0.000 -3.798) 5.414 8.246 ( -10.410 -0.000 6.964) 12.524 9.123 ( -6.365 -0.000 1.345) 6.505 9.744 ( -0.804 -0.000 0.702) 1.068 9.876 ( 17.420 0.000 2.994) 17.675 10.677 ( -8.647 -0.000 -8.817) 12.349 11.501 ( 17.405 0.000 0.466) 17.411 12.094 ( -7.365 -0.000 14.066) 15.877 12.203 ( 2.319 0.000 0.394) 2.353 12.348 ( 2.369 0.000 -14.852) 15.040 13.217 ( -6.081 -0.000 -3.481) 7.007 13.397 ( 4.397 0.000 14.340) 14.999 14.717 ( -12.673 -0.000 -17.766) 21.823 18.195 ( -13.833 -0.000 12.623) 18.727 18.670 ( -14.539 -0.000 -7.200) 16.224 19.004 ( 17.172 0.000 -2.757) 17.392 19.598 ( -7.105 -0.000 -7.451) 10.296 21.435 ( 1.137 0.000 16.966) 17.004 22.823 ( 10.488 0.000 -23.974) 26.168 23.230 ( 6.067 0.000 0.827) 6.123 23.852 ( -2.659 -0.000 4.304) 5.059 ======================= Grid point 25 (18/432) ======================= q-point: ( 0.27 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 8.160 -1.506 31.190) 32.275 2.634 ( 24.806 -8.457 17.391) 31.453 4.062 ( -1.912 3.741 -3.213) 5.289 4.145 ( -9.981 6.206 -7.438) 13.909 4.714 ( -14.177 7.901 -3.050) 16.514 4.834 ( 16.202 -1.618 -2.687) 16.502 4.942 ( 3.868 -8.054 -14.403) 16.949 5.300 ( -6.389 0.452 -20.656) 21.626 5.609 ( 14.449 -0.568 7.795) 16.427 6.005 ( -0.591 -0.190 -2.249) 2.333 6.076 ( 2.596 -3.102 13.246) 13.849 6.347 ( -3.442 0.442 17.562) 17.901 6.459 ( 0.227 -1.214 11.336) 11.403 7.071 ( -0.901 10.469 -8.253) 13.361 7.192 ( -9.141 -0.702 -14.369) 17.045 7.733 ( 9.512 -10.705 8.054) 16.430 8.186 ( -9.549 -2.813 2.563) 10.280 9.060 ( -7.252 -1.140 2.090) 7.633 9.683 ( -3.938 4.283 -2.588) 6.368 10.204 ( 22.241 1.096 6.494) 23.195 10.482 ( -5.324 -2.354 -8.264) 10.108 11.764 ( 16.268 -2.707 4.396) 17.067 11.926 ( -5.839 28.525 1.941) 29.181 12.240 ( -0.771 -2.285 2.367) 3.379 12.409 ( 0.515 -21.922 -3.203) 22.161 13.092 ( -5.544 2.240 -3.190) 6.778 13.647 ( 6.890 -2.058 15.112) 16.736 14.359 ( -11.484 0.079 -16.806) 20.355 18.126 ( -6.505 4.968 1.724) 8.365 18.462 ( -12.176 -7.800 -3.743) 14.937 19.194 ( 17.899 3.935 -2.250) 18.464 19.422 ( -4.968 -0.180 -7.536) 9.028 21.607 ( -2.669 3.692 16.400) 17.021 22.672 ( 5.911 -0.853 -20.531) 21.382 23.340 ( 6.655 -3.550 0.648) 7.570 23.861 ( -3.532 1.343 5.384) 6.578 ======================= Grid point 26 (19/432) ======================= q-point: ( 0.36 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( 8.929 3.850 18.105) 20.551 3.152 ( 12.481 -8.667 11.985) 19.353 3.834 ( -11.051 5.901 -7.317) 14.509 3.909 ( -5.908 3.940 -5.870) 9.213 4.393 ( -13.977 6.685 -7.570) 17.244 4.844 ( 4.771 -4.664 -14.278) 15.760 4.958 ( -6.855 -3.348 -18.719) 20.214 5.065 ( -1.589 -9.044 4.867) 10.392 5.731 ( 4.055 3.207 -8.061) 9.576 5.926 ( -4.022 -0.191 -2.887) 4.955 6.353 ( 3.779 -3.301 16.239) 16.996 6.429 ( -8.883 1.875 6.476) 11.151 6.603 ( 4.802 -2.363 5.209) 7.468 6.922 ( -3.289 8.808 -2.864) 9.829 6.940 ( -2.981 2.137 -3.072) 4.785 8.033 ( -7.265 -9.238 7.728) 14.066 8.150 ( 9.151 -7.564 1.658) 11.987 9.004 ( -6.236 -0.387 2.246) 6.639 9.539 ( -5.794 2.142 -5.026) 7.964 10.251 ( -2.325 5.065 -8.819) 10.432 10.674 ( 21.375 -5.997 7.405) 23.403 11.627 ( -4.090 30.525 1.362) 30.828 12.034 ( 12.908 -0.190 5.447) 14.012 12.259 ( -2.267 -0.655 2.263) 3.270 12.567 ( -1.458 -18.810 1.974) 18.969 12.992 ( -0.846 2.373 -1.498) 2.931 13.874 ( 1.989 0.490 -2.831) 3.494 14.115 ( -2.940 -5.021 2.524) 6.342 18.005 ( -3.005 3.705 -4.812) 6.776 18.381 ( -8.769 -10.246 -1.157) 13.536 19.256 ( 6.062 5.115 -5.389) 9.589 19.427 ( 12.236 0.407 -0.255) 12.246 21.661 ( -5.810 8.665 11.535) 15.553 22.531 ( 0.199 -5.744 -16.049) 17.047 23.468 ( 6.507 -3.759 1.284) 7.624 23.864 ( -2.899 2.929 5.849) 7.155 ======================= Grid point 27 (20/432) ======================= q-point: (-0.55 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( 3.287 16.704 -8.423) 18.994 3.137 ( -14.782 8.081 -5.046) 17.586 3.788 ( -0.333 -3.049 1.802) 3.557 3.831 ( -4.370 -4.085 6.122) 8.560 4.164 ( -3.832 -6.032 -4.260) 8.320 4.623 ( -14.583 -3.316 -12.208) 19.305 4.789 ( -2.866 -2.670 -11.488) 12.137 5.184 ( -5.286 -12.349 7.148) 15.216 5.477 ( -6.004 7.354 -20.945) 22.996 5.894 ( 0.176 1.187 -0.339) 1.247 6.283 ( -5.549 0.779 -4.431) 7.144 6.544 ( -0.648 1.683 9.850) 10.014 6.594 ( -8.154 -4.091 -8.557) 12.508 6.859 ( 0.518 6.147 8.786) 10.736 7.030 ( 6.188 -2.704 6.582) 9.430 7.930 ( -11.210 2.227 2.425) 11.683 8.498 ( 11.730 -16.094 5.312) 20.611 8.954 ( -4.969 0.409 1.929) 5.346 9.425 ( -4.365 -3.750 -3.495) 6.733 10.045 ( -3.548 6.002 -11.604) 13.537 11.069 ( 19.589 -4.310 5.910) 20.911 11.356 ( -2.236 31.096 3.191) 31.339 12.164 ( 3.062 7.664 3.360) 8.911 12.246 ( -3.854 0.213 2.515) 4.607 12.735 ( -0.573 -15.668 4.722) 16.374 13.050 ( 9.685 -0.872 3.853) 10.460 13.629 ( -7.720 3.457 -16.522) 18.561 14.403 ( 8.597 -9.000 16.476) 20.649 17.872 ( -2.607 -1.775 -11.861) 12.273 18.388 ( -3.383 -8.113 4.562) 9.903 19.290 ( 11.497 3.056 -1.864) 12.041 19.591 ( 13.314 3.072 1.500) 13.746 21.581 ( -7.560 10.787 4.266) 13.846 22.399 ( -7.315 -9.252 -10.561) 15.832 23.593 ( 5.153 -2.691 2.529) 6.340 23.874 ( -0.787 4.503 5.626) 7.248 ======================= Grid point 28 (21/432) ======================= q-point: (-0.45 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( -3.243 23.094 -21.645) 31.818 2.755 ( -17.135 16.046 -7.139) 24.536 3.716 ( -15.442 -4.380 -4.230) 16.599 3.879 ( 0.147 -4.473 4.366) 6.252 4.247 ( -2.094 -7.950 -9.672) 12.693 4.276 ( -14.290 3.706 -7.354) 16.493 4.688 ( -2.779 -6.108 1.996) 7.001 5.037 ( -9.651 -1.845 -19.366) 21.716 5.382 ( -3.446 -12.139 9.298) 15.674 5.848 ( -2.220 3.730 -2.545) 5.031 6.221 ( -1.552 0.544 0.913) 1.880 6.388 ( -7.117 -4.080 -11.139) 13.834 6.581 ( -4.106 2.084 4.085) 6.156 6.902 ( -0.058 2.908 4.776) 5.592 7.208 ( 3.596 -6.469 3.745) 8.295 7.832 ( -5.641 3.586 5.554) 8.691 8.760 ( 4.830 -9.501 0.923) 10.699 8.931 ( -2.177 -5.182 -0.017) 5.620 9.415 ( -3.008 -8.586 0.805) 9.134 9.819 ( -2.109 6.946 -10.720) 12.947 11.112 ( -2.601 29.478 3.020) 29.746 11.364 ( 14.807 -1.944 1.626) 15.023 12.093 ( -2.758 12.268 0.966) 12.611 12.222 ( -4.138 1.237 3.269) 5.417 12.914 ( 0.315 -12.776 6.186) 14.199 13.294 ( 0.763 2.966 -0.688) 3.139 13.329 ( 7.055 0.348 -5.118) 8.723 14.782 ( 8.969 -10.293 15.162) 20.403 17.682 ( -4.036 -6.590 -19.733) 21.192 18.554 ( 5.076 -5.411 12.327) 14.387 19.438 ( 17.551 4.916 -1.048) 18.257 19.755 ( 11.499 2.735 3.732) 12.395 21.394 ( -9.637 9.858 -2.016) 13.932 22.241 ( -15.202 -10.688 -6.652) 19.738 23.703 ( 3.501 -1.717 3.615) 5.317 23.901 ( 1.803 6.050 5.863) 8.616 ======================= Grid point 29 (22/432) ======================= q-point: (-0.36 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -3.130 26.856 -20.194) 33.747 2.253 ( -20.021 19.255 -13.940) 31.079 3.313 ( -26.512 22.877 -7.209) 35.752 3.912 ( -4.525 -8.978 -1.927) 10.237 4.012 ( 4.404 5.206 -4.994) 8.452 4.193 ( -6.623 -15.413 -11.955) 20.600 4.774 ( -2.477 -6.527 -9.385) 11.697 4.871 ( -4.463 -9.241 10.674) 14.807 5.532 ( -7.865 -13.984 6.602) 17.349 5.751 ( -2.354 0.153 -2.952) 3.779 6.134 ( -9.315 6.381 3.358) 11.780 6.313 ( -1.741 -10.301 -6.026) 12.060 6.553 ( 3.347 0.197 -3.209) 4.640 6.932 ( 0.152 0.981 3.453) 3.592 7.271 ( -4.463 -4.844 -0.776) 6.632 7.866 ( 2.303 2.393 7.632) 8.323 8.838 ( 0.537 1.812 5.625) 5.934 8.966 ( 0.377 -15.405 -8.619) 17.657 9.482 ( -5.138 -11.904 2.837) 13.272 9.664 ( 1.189 4.936 -5.505) 7.489 10.849 ( -4.964 27.618 0.407) 28.063 11.513 ( 8.811 1.591 -2.889) 9.408 11.947 ( -3.183 14.494 0.456) 14.846 12.197 ( -3.303 1.243 2.792) 4.500 13.016 ( -6.584 4.170 -7.760) 10.998 13.109 ( 1.700 -10.502 3.268) 11.129 13.643 ( 15.149 1.227 12.901) 19.935 15.141 ( 7.413 -11.510 12.942) 18.840 17.435 ( -4.320 -8.753 -25.247) 27.068 18.862 ( 12.480 -2.711 14.323) 19.190 19.605 ( 19.595 8.782 -2.777) 21.652 19.934 ( 10.334 2.129 6.114) 12.195 21.138 ( -11.933 7.270 -4.730) 14.753 22.021 ( -22.478 -11.113 -5.427) 25.655 23.782 ( 1.693 -0.965 1.603) 2.524 23.971 ( 4.345 6.347 9.459) 12.191 ======================= Grid point 30 (23/432) ======================= q-point: (-0.27 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -1.877 29.685 -14.234) 32.975 1.594 ( -23.071 22.629 -19.501) 37.745 2.657 ( -15.251 47.995 -3.212) 50.462 3.936 ( -0.437 -11.013 -3.209) 11.479 4.030 ( 1.070 -0.334 1.492) 1.866 4.148 ( -3.273 -19.441 -7.961) 21.261 4.709 ( -1.575 -5.643 -4.431) 7.345 5.020 ( -3.881 -6.671 8.943) 11.812 5.482 ( -12.293 -3.995 -2.201) 13.112 5.791 ( 1.124 -10.811 1.819) 11.020 6.072 ( -2.470 -0.398 4.462) 5.116 6.283 ( -4.938 -7.928 -3.702) 10.047 6.609 ( 7.749 -2.668 -3.507) 8.915 6.968 ( 0.306 0.676 3.212) 3.297 7.164 ( -8.738 0.551 -4.560) 9.871 7.982 ( 4.877 1.441 5.163) 7.246 8.942 ( -0.014 -1.152 13.908) 13.955 9.015 ( 6.255 -15.192 -10.556) 19.529 9.509 ( -5.825 -10.293 -0.468) 11.836 9.630 ( -2.566 -2.884 -1.353) 4.090 10.527 ( -6.803 27.830 -2.795) 28.785 11.505 ( 3.241 6.882 -4.984) 9.094 11.789 ( -2.077 16.288 0.420) 16.425 12.182 ( -1.623 0.869 1.640) 2.465 12.836 ( -3.057 3.263 -4.955) 6.674 13.270 ( 1.377 -9.814 3.785) 10.608 13.975 ( 11.854 0.519 15.375) 19.421 15.456 ( 4.878 -12.737 10.539) 17.236 17.142 ( -3.823 -6.336 -27.332) 28.316 19.207 ( 14.557 -1.235 10.092) 17.756 19.725 ( 17.041 9.770 -4.222) 20.092 20.094 ( 7.988 6.325 4.627) 11.190 20.904 ( -9.696 2.374 -1.677) 10.122 21.723 ( -26.112 -9.291 -5.269) 28.213 23.802 ( 0.505 0.578 -0.164) 0.785 24.116 ( 4.906 3.125 10.850) 12.311 ======================= Grid point 31 (24/432) ======================= q-point: (-0.18 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -0.000 29.827 -0.000) 29.827 1.111 ( -0.000 32.144 -0.000) 32.144 2.093 ( -0.000 58.012 -0.000) 58.012 4.024 ( -0.000 1.963 -0.000) 1.963 4.031 ( 0.000 -13.795 0.000) 13.795 4.251 ( 0.000 -19.593 0.000) 19.593 4.713 ( 0.000 -3.370 0.000) 3.370 5.086 ( 0.000 -4.826 0.000) 4.826 5.358 ( -0.000 3.195 -0.000) 3.195 5.941 ( 0.000 -14.979 0.000) 14.979 6.127 ( 0.000 -5.066 0.000) 5.066 6.274 ( 0.000 -6.431 0.000) 6.431 6.668 ( 0.000 -2.187 0.000) 2.187 6.999 ( -0.000 1.069 -0.000) 1.069 7.005 ( -0.000 5.789 -0.000) 5.789 8.040 ( -0.000 1.648 -0.000) 1.648 9.095 ( 0.000 -18.265 0.000) 18.265 9.199 ( 0.000 -7.922 0.000) 7.922 9.534 ( 0.000 -14.941 0.000) 14.941 9.572 ( -0.000 1.995 -0.000) 1.995 10.196 ( -0.000 29.455 -0.000) 29.455 11.411 ( -0.000 10.776 -0.000) 10.776 11.636 ( -0.000 17.625 -0.000) 17.625 12.175 ( -0.000 0.744 -0.000) 0.744 12.770 ( -0.000 1.740 -0.000) 1.740 13.376 ( 0.000 -7.958 0.000) 7.958 14.209 ( 0.000 -5.064 0.000) 5.064 15.690 ( 0.000 -14.486 0.000) 14.486 16.912 ( -0.000 1.585 -0.000) 1.585 19.400 ( 0.000 -2.605 0.000) 2.605 19.764 ( -0.000 7.429 -0.000) 7.429 20.100 ( -0.000 9.484 -0.000) 9.484 20.845 ( 0.000 -1.068 0.000) 1.068 21.504 ( 0.000 -3.492 0.000) 3.492 23.795 ( -0.000 1.004 -0.000) 1.004 24.229 ( 0.000 -0.806 0.000) 0.806 ======================= Grid point 36 (25/432) ======================= q-point: ( 0.27 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( 7.971 0.000 25.687) 26.896 3.063 ( 18.628 0.000 11.033) 21.650 3.898 ( -14.968 -0.000 -7.330) 16.666 3.950 ( -5.573 -0.000 -9.591) 11.092 4.441 ( -19.255 -0.000 -10.091) 21.739 4.835 ( 5.233 0.000 -7.655) 9.272 4.902 ( -1.080 -0.000 -22.608) 22.633 4.979 ( -3.587 -0.000 -0.650) 3.645 5.766 ( 7.164 0.000 -5.355) 8.944 5.921 ( -6.217 -0.000 -2.787) 6.814 6.314 ( 2.664 0.000 17.877) 18.074 6.446 ( -9.214 -0.000 9.627) 13.326 6.585 ( 6.727 0.000 -1.236) 6.839 6.957 ( -2.743 -0.000 -3.906) 4.772 7.016 ( -7.989 -0.000 0.024) 7.989 7.918 ( 8.564 0.000 11.792) 14.573 8.103 ( -3.550 -0.000 -0.991) 3.686 9.002 ( -6.377 -0.000 3.765) 7.406 9.555 ( -8.372 -0.000 -6.990) 10.906 10.303 ( -3.665 -0.000 -9.816) 10.478 10.618 ( 24.841 0.000 8.280) 26.184 12.026 ( 13.056 0.000 8.443) 15.549 12.060 ( -1.501 -0.000 -2.821) 3.195 12.176 ( -7.622 -0.000 11.236) 13.578 12.318 ( 4.833 0.000 -4.502) 6.605 13.016 ( -2.469 -0.000 -1.539) 2.910 13.874 ( 4.865 0.000 2.438) 5.442 14.072 ( -6.277 -0.000 -2.809) 6.877 18.050 ( -4.974 -0.000 -7.046) 8.625 18.280 ( -6.494 -0.000 0.395) 6.506 19.302 ( -0.279 -0.000 -4.702) 4.711 19.427 ( 18.060 0.000 -1.782) 18.148 21.748 ( -7.423 -0.000 15.976) 17.616 22.471 ( 1.922 0.000 -21.686) 21.771 23.435 ( 7.127 0.000 2.133) 7.439 23.889 ( -3.002 -0.000 6.176) 6.867 ======================= Grid point 37 (26/432) ======================= q-point: (-0.64 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.022 ( 5.713 9.126 2.289) 11.007 3.190 ( -8.052 -0.971 -4.380) 9.217 3.761 ( -6.547 -0.177 -3.197) 7.288 3.790 ( -1.315 -0.949 7.358) 7.535 4.084 ( -14.223 -3.319 -12.121) 18.979 4.570 ( -9.490 -1.904 -16.101) 18.786 4.789 ( -1.698 1.894 -5.956) 6.476 5.001 ( -6.798 -8.095 4.585) 11.523 5.648 ( -0.537 11.537 -15.923) 19.671 5.849 ( -0.730 -6.656 -4.456) 8.043 6.272 ( -10.997 -1.268 -4.028) 11.780 6.539 ( -8.134 -0.547 16.508) 18.411 6.561 ( 2.662 -0.509 -10.731) 11.068 6.942 ( -6.177 3.088 6.506) 9.488 7.013 ( 5.162 -0.258 5.415) 7.486 8.008 ( -3.221 7.278 1.289) 8.063 8.233 ( 7.963 -13.829 7.815) 17.769 8.973 ( -4.859 0.974 4.076) 6.417 9.368 ( -7.744 -2.184 -6.558) 10.380 10.125 ( -2.850 2.829 -12.017) 12.670 11.020 ( 21.811 -1.535 6.669) 22.859 11.878 ( -1.504 29.343 4.364) 29.703 12.233 ( -3.056 -1.779 6.280) 7.207 12.256 ( 5.191 1.971 3.604) 6.619 12.417 ( 0.817 -20.411 0.915) 20.448 13.041 ( 7.072 -0.145 3.323) 7.815 13.667 ( -7.410 1.085 -17.049) 18.621 14.287 ( 8.203 -4.028 16.706) 19.042 17.856 ( -5.551 -0.378 -14.199) 15.250 18.294 ( -0.010 -2.925 6.926) 7.519 19.322 ( 7.643 0.901 0.813) 7.738 19.627 ( 16.159 1.076 -1.450) 16.260 21.755 ( -10.597 7.914 10.584) 16.940 22.251 ( -3.477 -6.813 -19.274) 20.736 23.558 ( 6.304 -1.182 2.901) 7.039 23.926 ( -1.201 1.615 6.348) 6.659 ======================= Grid point 38 (27/432) ======================= q-point: (-0.55 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.760 ( -6.127 16.499 -16.261) 23.962 2.960 ( -10.639 8.596 -11.159) 17.652 3.649 ( -13.164 -2.863 -5.474) 14.542 3.774 ( -8.519 -8.471 2.310) 12.234 4.039 ( 2.831 -7.958 -3.721) 9.229 4.358 ( -11.201 -1.322 -0.838) 11.310 4.659 ( -4.700 2.568 0.056) 5.356 5.000 ( -9.761 -7.662 -3.845) 12.991 5.330 ( -1.725 11.073 -9.995) 15.016 5.853 ( 0.839 -5.182 -6.773) 8.570 6.125 ( -9.128 -7.883 -4.324) 12.813 6.409 ( -4.960 4.474 -5.035) 8.364 6.590 ( -8.222 -1.186 7.075) 10.911 6.921 ( -3.657 -0.031 2.384) 4.366 7.157 ( 6.504 -0.425 4.390) 7.859 7.913 ( -3.706 6.214 1.895) 7.480 8.512 ( 5.287 -15.267 2.888) 16.413 8.941 ( -4.154 2.566 3.111) 5.789 9.276 ( -4.999 -7.201 -2.058) 9.005 9.920 ( -1.813 4.609 -12.310) 13.269 11.338 ( 16.628 -0.854 3.139) 16.943 11.655 ( -0.850 33.272 4.598) 33.599 12.212 ( -4.858 1.534 2.306) 5.592 12.281 ( -1.103 5.965 1.711) 6.303 12.636 ( 0.201 -20.755 4.764) 21.296 13.283 ( 15.467 -1.733 9.451) 18.208 13.368 ( -7.088 2.276 -15.643) 17.324 14.625 ( 8.487 -7.600 14.194) 18.201 17.604 ( -6.337 -2.919 -18.245) 19.534 18.486 ( 7.425 -2.714 13.840) 15.938 19.491 ( 14.489 1.924 4.667) 15.343 19.795 ( 13.521 1.685 -0.502) 13.635 21.583 ( -11.085 12.286 -0.353) 16.551 22.056 ( -11.602 -11.424 -11.970) 20.209 23.676 ( 4.607 -1.288 3.270) 5.794 23.977 ( 1.190 3.082 6.099) 6.936 ======================= Grid point 39 (28/432) ======================= q-point: (-0.45 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( -4.247 22.581 -15.659) 27.806 2.532 ( -15.631 14.670 -16.237) 26.892 3.457 ( -11.916 -3.314 -1.169) 12.424 3.746 ( -10.142 -13.657 -3.683) 17.405 3.955 ( -7.016 -4.518 -14.715) 16.916 4.244 ( -2.814 10.973 6.117) 12.873 4.716 ( -1.735 -1.826 4.114) 4.824 4.774 ( -2.882 1.643 -5.657) 6.558 5.303 ( -4.999 -10.702 4.533) 12.652 5.753 ( -5.107 -0.442 -8.174) 9.648 6.082 ( -3.524 -16.209 -8.614) 18.691 6.258 ( -9.716 7.618 4.132) 13.019 6.555 ( -0.918 -1.135 -1.770) 2.295 6.907 ( -2.736 -3.003 0.836) 4.147 7.250 ( 2.040 2.153 2.156) 3.666 7.890 ( -0.537 0.421 4.335) 4.389 8.683 ( 4.324 -13.306 -3.739) 14.482 8.902 ( -4.176 1.966 3.483) 5.782 9.286 ( -5.540 -10.452 1.294) 11.900 9.745 ( 0.388 4.325 -9.492) 10.438 11.394 ( -0.784 35.107 2.573) 35.210 11.536 ( 10.216 1.368 -0.018) 10.308 12.136 ( -3.855 7.114 0.614) 8.115 12.225 ( -3.194 3.068 1.691) 4.740 12.862 ( 0.695 -17.785 5.368) 18.590 13.097 ( -5.834 3.568 -12.059) 13.863 13.629 ( 15.295 -1.992 11.403) 19.182 14.944 ( 6.628 -11.106 10.705) 16.789 17.335 ( -6.096 -3.689 -19.214) 20.493 18.823 ( 13.102 -1.912 16.740) 21.344 19.728 ( 17.684 6.046 3.252) 18.969 19.957 ( 11.422 0.389 3.745) 12.026 21.286 ( -12.229 10.305 -7.402) 17.622 21.844 ( -18.238 -10.474 -7.948) 22.484 23.766 ( 2.625 -0.825 2.503) 3.720 24.049 ( 3.217 3.248 6.334) 7.812 ======================= Grid point 40 (29/432) ======================= q-point: (-0.36 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -3.653 26.153 -14.896) 30.318 1.975 ( -15.094 23.149 -12.414) 30.296 3.294 ( -9.431 23.400 5.373) 25.795 3.693 ( -6.250 -14.730 -3.693) 16.422 3.802 ( -3.101 -18.201 -10.953) 21.468 4.179 ( 2.354 15.055 0.644) 15.251 4.615 ( 0.782 -4.471 -6.277) 7.746 4.919 ( -2.948 -4.967 13.522) 14.704 5.353 ( -7.057 -10.986 -0.727) 13.077 5.634 ( -3.544 -7.315 -4.508) 9.294 6.068 ( -1.095 -6.871 -4.781) 8.443 6.143 ( -8.425 -2.711 1.063) 8.914 6.577 ( 4.910 -1.776 -1.906) 5.559 6.926 ( -1.262 -4.954 1.014) 5.212 7.217 ( -3.091 5.873 0.059) 6.637 7.970 ( 2.145 -3.316 3.829) 5.501 8.771 ( 2.834 -11.225 -6.768) 13.410 8.922 ( -0.208 -2.309 7.043) 7.415 9.304 ( -7.538 -11.128 0.452) 13.449 9.645 ( 1.201 2.336 -5.369) 5.977 11.093 ( -1.412 37.444 0.546) 37.474 11.598 ( 4.571 4.148 -1.854) 6.445 12.022 ( -2.011 11.288 0.108) 11.466 12.193 ( -2.080 0.692 1.254) 2.526 12.898 ( -3.283 3.935 -6.027) 7.911 13.063 ( 0.946 -15.267 3.203) 15.628 13.942 ( 9.972 -3.355 9.665) 14.287 15.220 ( 3.804 -14.498 6.910) 16.504 17.083 ( -4.383 -1.561 -15.832) 16.502 19.185 ( 12.402 -1.226 12.439) 17.608 19.873 ( 12.747 7.979 -1.863) 15.153 20.181 ( 12.147 3.713 8.582) 15.329 20.966 ( -11.885 5.089 -7.356) 14.875 21.587 ( -18.844 -7.567 -6.444) 21.304 23.810 ( 0.931 0.350 0.826) 1.293 24.148 ( 3.385 1.070 5.771) 6.775 ======================= Grid point 41 (30/432) ======================= q-point: (-0.27 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -0.000 28.592 -0.000) 28.592 1.627 ( -0.000 29.600 -0.000) 29.600 2.961 ( -0.000 44.103 -0.000) 44.103 3.773 ( 0.000 -16.967 0.000) 16.967 3.900 ( 0.000 -22.125 0.000) 22.125 4.098 ( -0.000 8.503 -0.000) 8.503 4.637 ( 0.000 -5.551 0.000) 5.551 5.015 ( 0.000 -3.338 0.000) 3.338 5.339 ( 0.000 -5.558 0.000) 5.558 5.692 ( 0.000 -14.183 0.000) 14.183 6.073 ( 0.000 -0.999 0.000) 0.999 6.138 ( 0.000 -9.980 0.000) 9.980 6.627 ( 0.000 -2.627 0.000) 2.627 6.968 ( 0.000 -4.535 0.000) 4.535 7.121 ( -0.000 8.050 -0.000) 8.050 8.040 ( 0.000 -2.275 0.000) 2.275 8.835 ( 0.000 -12.278 0.000) 12.278 9.051 ( 0.000 -8.973 0.000) 8.973 9.318 ( 0.000 -10.687 0.000) 10.687 9.603 ( -0.000 1.971 -0.000) 1.971 10.766 ( -0.000 37.685 -0.000) 37.685 11.562 ( -0.000 7.227 -0.000) 7.227 11.904 ( -0.000 14.071 -0.000) 14.071 12.184 ( -0.000 0.322 -0.000) 0.322 12.813 ( -0.000 3.314 -0.000) 3.314 13.206 ( 0.000 -12.677 0.000) 12.677 14.117 ( 0.000 -5.728 0.000) 5.728 15.424 ( 0.000 -16.740 0.000) 16.740 16.940 ( -0.000 1.719 -0.000) 1.719 19.366 ( 0.000 -1.618 0.000) 1.618 19.888 ( -0.000 7.233 -0.000) 7.233 20.271 ( -0.000 10.654 -0.000) 10.654 20.823 ( 0.000 -1.543 0.000) 1.543 21.437 ( 0.000 -4.435 0.000) 4.435 23.812 ( -0.000 0.989 -0.000) 0.989 24.214 ( 0.000 -0.897 0.000) 0.897 ======================= Grid point 48 (31/432) ======================= q-point: ( 0.36 -0.64 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.915 ( -14.354 -0.000 -8.625) 16.746 3.032 ( 1.108 0.000 -18.715) 18.747 3.650 ( -8.199 -0.000 -0.016) 8.199 3.651 ( -18.115 -0.000 -8.175) 19.874 3.982 ( 4.037 0.000 1.306) 4.243 4.327 ( -9.751 -0.000 0.064) 9.751 4.716 ( -4.108 -0.000 -1.539) 4.387 4.883 ( -10.878 -0.000 3.447) 11.412 5.573 ( 3.580 0.000 -15.366) 15.778 5.681 ( -2.380 -0.000 -9.173) 9.477 6.065 ( -13.007 -0.000 -4.078) 13.631 6.463 ( 1.156 0.000 -6.849) 6.946 6.565 ( -14.324 -0.000 11.526) 18.385 6.920 ( -4.734 -0.000 1.021) 4.842 7.158 ( 7.404 0.000 5.316) 9.115 7.991 ( -3.401 -0.000 -4.027) 5.271 8.354 ( 5.195 0.000 8.782) 10.204 8.971 ( -3.894 -0.000 3.675) 5.354 9.207 ( -5.325 -0.000 -3.706) 6.487 9.960 ( -2.230 -0.000 -12.663) 12.858 11.330 ( 17.438 0.000 3.554) 17.796 12.106 ( -0.542 -0.000 5.703) 5.729 12.222 ( -7.992 -0.000 12.127) 14.524 12.284 ( 1.779 0.000 -5.196) 5.492 12.345 ( 0.788 0.000 0.582) 0.980 13.267 ( 15.517 0.000 9.332) 18.107 13.387 ( -7.075 -0.000 -15.617) 17.145 14.558 ( 8.392 0.000 13.830) 16.177 17.581 ( -6.948 -0.000 -17.655) 18.973 18.464 ( 8.162 0.000 14.348) 16.507 19.507 ( 13.386 0.000 6.888) 15.055 19.809 ( 14.067 0.000 -1.996) 14.208 21.740 ( -15.242 -0.000 8.591) 17.496 21.909 ( -6.526 -0.000 -22.470) 23.399 23.665 ( 4.960 0.000 3.396) 6.011 24.003 ( 0.964 0.000 5.999) 6.076 ======================= Grid point 50 (32/432) ======================= q-point: (-0.55 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( -8.667 10.319 -7.040) 15.204 2.730 ( -5.207 7.978 -21.637) 23.641 3.370 ( -11.709 -4.007 -6.571) 14.012 3.514 ( -10.321 -10.409 -8.408) 16.899 3.929 ( -6.675 -0.364 -8.190) 10.572 4.320 ( -5.585 0.451 12.886) 14.051 4.708 ( -1.776 2.401 9.788) 10.234 4.813 ( -6.267 -3.576 -0.662) 7.246 5.342 ( 0.192 17.045 -7.962) 18.814 5.667 ( 1.386 -15.197 -11.969) 19.394 5.845 ( -12.479 -6.385 -7.139) 15.731 6.386 ( -9.521 7.511 3.064) 12.508 6.499 ( -5.130 -5.497 0.891) 7.571 6.868 ( -2.851 -1.287 -1.646) 3.534 7.304 ( 6.559 2.740 4.487) 8.406 7.883 ( -4.511 -0.830 -3.255) 5.624 8.519 ( 4.712 -5.402 3.449) 7.954 8.940 ( -4.378 1.962 2.209) 5.281 9.155 ( -3.392 -4.723 -0.127) 5.816 9.796 ( -0.897 1.668 -10.484) 10.654 11.543 ( 11.707 0.280 0.669) 11.729 11.974 ( -0.675 31.963 4.757) 32.322 12.186 ( -4.420 1.311 2.053) 5.046 12.291 ( -2.982 2.371 -0.707) 3.875 12.501 ( 0.607 -25.000 4.008) 25.327 13.138 ( -5.555 1.299 -12.226) 13.492 13.599 ( 15.353 -1.113 10.790) 18.798 14.806 ( 6.363 -4.626 9.380) 12.242 17.299 ( -6.544 -0.946 -16.357) 17.643 18.801 ( 13.433 -0.662 17.879) 22.373 19.804 ( 17.083 2.778 10.335) 20.158 19.950 ( 11.129 -0.728 -0.872) 11.187 21.469 ( -12.268 11.081 -12.326) 20.621 21.667 ( -15.764 -10.722 -6.298) 20.078 23.756 ( 3.126 -0.327 3.014) 4.355 24.084 ( 2.468 1.022 4.944) 5.619 ======================= Grid point 51 (33/432) ======================= q-point: (-0.45 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( -6.368 18.797 -16.969) 26.112 2.348 ( -5.957 19.901 -4.918) 21.347 3.316 ( -2.414 -11.969 1.431) 12.294 3.430 ( -7.118 -17.150 -5.149) 19.269 3.701 ( -8.332 2.718 -9.684) 13.061 4.410 ( -0.888 5.242 12.232) 13.338 4.653 ( -0.844 9.877 -8.531) 13.079 4.873 ( 0.596 -0.289 13.706) 13.722 5.197 ( -4.003 -2.888 -3.472) 6.035 5.549 ( -6.273 -3.408 -9.478) 11.866 5.827 ( 0.451 -17.647 -5.051) 18.361 6.196 ( -11.784 4.555 0.641) 12.650 6.535 ( 2.240 -3.216 -0.017) 3.919 6.845 ( -1.496 -3.800 -0.744) 4.151 7.344 ( 1.448 8.671 1.620) 8.939 7.866 ( -1.235 -8.533 0.004) 8.622 8.635 ( 4.316 -5.110 -1.190) 6.794 8.902 ( -3.301 -0.175 2.601) 4.207 9.162 ( -3.649 -5.843 0.763) 6.931 9.682 ( 0.256 1.736 -6.105) 6.353 11.645 ( 5.869 1.969 -0.919) 6.258 11.719 ( -0.694 36.395 2.358) 36.477 12.143 ( -2.546 2.884 0.978) 3.970 12.222 ( -2.105 3.134 -0.329) 3.790 12.750 ( 0.487 -22.568 2.917) 22.761 12.955 ( -3.067 2.598 -6.719) 7.829 13.888 ( 9.377 -2.646 7.623) 12.371 15.011 ( 3.394 -9.623 5.004) 11.365 17.071 ( -4.321 -0.172 -11.084) 11.898 19.169 ( 11.803 -0.645 13.634) 18.045 19.987 ( 9.187 5.481 -1.048) 10.749 20.213 ( 15.676 0.335 13.229) 20.514 21.064 ( -13.271 6.039 -15.287) 21.125 21.468 ( -15.160 -6.392 -4.327) 17.012 23.813 ( 1.341 0.125 1.591) 2.084 24.159 ( 2.346 0.378 3.407) 4.154 ======================= Grid point 52 (34/432) ======================= q-point: (-0.36 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( -0.000 25.506 -0.000) 25.506 2.087 ( -0.000 25.276 -0.000) 25.276 3.472 ( -0.000 16.714 -0.000) 16.714 3.474 ( 0.000 -18.574 0.000) 18.574 3.531 ( 0.000 -21.496 0.000) 21.496 4.368 ( -0.000 23.299 -0.000) 23.299 4.548 ( 0.000 -4.403 0.000) 4.403 4.989 ( -0.000 0.881 -0.000) 0.881 5.188 ( 0.000 -11.456 0.000) 11.456 5.497 ( 0.000 -8.626 0.000) 8.626 5.938 ( 0.000 -14.124 0.000) 14.124 6.087 ( -0.000 2.117 -0.000) 2.117 6.580 ( 0.000 -3.015 0.000) 3.015 6.873 ( 0.000 -5.793 0.000) 5.793 7.272 ( -0.000 10.116 -0.000) 10.116 7.946 ( 0.000 -9.148 0.000) 9.148 8.692 ( 0.000 -5.312 0.000) 5.312 8.930 ( 0.000 -5.161 0.000) 5.161 9.181 ( 0.000 -5.907 0.000) 5.907 9.635 ( -0.000 1.721 -0.000) 1.721 11.411 ( -0.000 38.833 -0.000) 38.833 11.652 ( -0.000 3.677 -0.000) 3.677 12.089 ( -0.000 7.546 -0.000) 7.546 12.191 ( -0.000 0.963 -0.000) 0.963 12.871 ( -0.000 3.355 -0.000) 3.355 12.945 ( 0.000 -19.040 0.000) 19.040 14.029 ( 0.000 -4.493 0.000) 4.493 15.162 ( 0.000 -13.767 0.000) 13.767 16.966 ( -0.000 1.308 -0.000) 1.308 19.345 ( 0.000 -0.855 0.000) 0.855 19.997 ( -0.000 5.527 -0.000) 5.527 20.437 ( -0.000 8.832 -0.000) 8.832 20.796 ( 0.000 -1.572 0.000) 1.572 21.363 ( 0.000 -4.240 0.000) 4.240 23.826 ( -0.000 0.679 -0.000) 0.679 24.201 ( 0.000 -0.696 0.000) 0.696 ======================= Grid point 61 (35/432) ======================= q-point: ( 0.45 -0.55 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( -2.648 -0.000 -16.890) 17.096 2.542 ( -5.414 -0.000 -1.948) 5.753 3.187 ( -4.762 -0.000 -2.068) 5.192 3.246 ( -7.059 -0.000 -7.229) 10.104 3.726 ( -7.776 -0.000 -7.706) 10.948 4.433 ( 0.273 0.000 9.940) 9.944 4.736 ( -6.163 -0.000 5.007) 7.940 4.863 ( 1.236 0.000 12.609) 12.669 5.304 ( -1.773 -0.000 -16.780) 16.873 5.492 ( -1.555 -0.000 -6.341) 6.529 5.610 ( -2.983 -0.000 -2.718) 4.035 6.243 ( -13.766 -0.000 -1.179) 13.817 6.498 ( 1.871 0.000 2.051) 2.776 6.813 ( -1.152 -0.000 -1.779) 2.120 7.445 ( 4.542 0.000 3.341) 5.638 7.763 ( -4.016 -0.000 -3.561) 5.367 8.595 ( 4.184 0.000 1.849) 4.575 8.904 ( -4.461 -0.000 0.850) 4.541 9.112 ( -1.362 -0.000 0.828) 1.593 9.697 ( -0.281 -0.000 -6.239) 6.246 11.659 ( 5.802 0.000 -0.209) 5.806 12.155 ( -3.420 -0.000 3.007) 4.554 12.238 ( 2.243 0.000 -2.713) 3.520 12.244 ( -3.550 -0.000 2.817) 4.532 12.368 ( 0.091 0.000 2.364) 2.366 12.978 ( -2.974 -0.000 -6.802) 7.423 13.865 ( 9.246 0.000 7.145) 11.685 14.927 ( 3.305 0.000 4.437) 5.533 17.071 ( -4.273 -0.000 -9.815) 10.705 19.163 ( 11.665 0.000 14.024) 18.241 20.038 ( 6.770 0.000 -2.014) 7.063 20.210 ( 17.993 0.000 16.231) 24.232 21.127 ( -13.966 -0.000 -21.521) 25.655 21.403 ( -13.659 -0.000 -0.266) 13.662 23.814 ( 1.507 0.000 1.877) 2.407 24.162 ( 1.970 0.000 2.691) 3.335 ======================= Grid point 63 (36/432) ======================= q-point: (-0.45 0.45 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -0.000 14.386 -0.000) 14.386 2.432 ( -0.000 13.836 -0.000) 13.836 3.198 ( 0.000 -11.379 0.000) 11.379 3.223 ( 0.000 -13.512 0.000) 13.512 3.609 ( -0.000 2.754 -0.000) 2.754 4.506 ( 0.000 -0.806 0.000) 0.806 4.691 ( -0.000 9.751 -0.000) 9.751 5.019 ( 0.000 -6.635 0.000) 6.635 5.090 ( -0.000 10.670 -0.000) 10.670 5.406 ( 0.000 -2.593 0.000) 2.593 5.688 ( 0.000 -13.451 0.000) 13.451 6.123 ( -0.000 1.552 -0.000) 1.552 6.533 ( 0.000 -2.010 0.000) 2.010 6.804 ( 0.000 -2.134 0.000) 2.134 7.447 ( -0.000 9.573 -0.000) 9.573 7.765 ( 0.000 -10.336 0.000) 10.336 8.641 ( 0.000 -1.267 0.000) 1.267 8.879 ( 0.000 -1.236 0.000) 1.236 9.117 ( 0.000 -1.856 0.000) 1.856 9.656 ( -0.000 0.679 -0.000) 0.679 11.690 ( -0.000 1.091 -0.000) 1.091 12.025 ( -0.000 33.745 -0.000) 33.745 12.146 ( -0.000 0.650 -0.000) 0.650 12.227 ( -0.000 2.103 -0.000) 2.103 12.566 ( 0.000 -26.192 0.000) 26.192 12.913 ( -0.000 1.387 -0.000) 1.387 13.976 ( 0.000 -1.688 0.000) 1.688 14.996 ( 0.000 -5.400 0.000) 5.400 16.982 ( -0.000 0.487 -0.000) 0.487 19.336 ( 0.000 -0.264 0.000) 0.264 20.063 ( -0.000 2.131 -0.000) 2.131 20.546 ( -0.000 3.626 -0.000) 3.626 20.776 ( 0.000 -0.713 0.000) 0.713 21.308 ( 0.000 -1.942 0.000) 1.942 23.834 ( -0.000 0.235 -0.000) 0.235 24.192 ( 0.000 -0.261 0.000) 0.261 ======================= Grid point 125 (37/432) ======================= q-point: ( 0.00 0.00 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -10.111 -0.000 30.440) 32.075 0.801 ( 16.483 0.000 38.614) 41.985 1.393 ( -12.011 -0.000 66.528) 67.603 4.080 ( -0.167 -0.000 7.955) 7.957 4.271 ( -1.894 -0.000 -2.821) 3.398 4.937 ( -2.786 -0.000 8.146) 8.609 5.118 ( 7.237 0.000 -4.883) 8.730 5.221 ( 7.595 0.000 9.772) 12.377 5.448 ( -43.904 -0.000 1.722) 43.937 6.086 ( -2.310 -0.000 -12.125) 12.343 6.256 ( 0.629 0.000 -8.235) 8.259 6.789 ( -23.597 -0.000 8.318) 25.020 6.923 ( -0.323 -0.000 3.026) 3.043 7.008 ( -6.370 -0.000 10.692) 12.445 7.274 ( -1.904 -0.000 -1.111) 2.204 7.700 ( -29.985 -0.000 -6.473) 30.675 8.336 ( 1.433 0.000 3.947) 4.199 9.357 ( -2.364 -0.000 -7.112) 7.495 9.603 ( 0.819 0.000 5.606) 5.665 9.739 ( -4.609 -0.000 -2.167) 5.093 10.090 ( 36.011 0.000 4.759) 36.324 11.114 ( -0.842 -0.000 -2.067) 2.232 12.038 ( -14.382 -0.000 7.620) 16.276 12.116 ( 0.335 0.000 -4.183) 4.197 12.605 ( 0.713 0.000 -8.899) 8.928 12.969 ( 1.233 0.000 7.260) 7.364 13.488 ( -0.436 -0.000 -1.852) 1.902 15.588 ( -1.232 -0.000 -10.948) 11.017 18.510 ( 2.620 0.000 -4.345) 5.074 19.429 ( 57.035 0.000 0.272) 57.036 19.508 ( -6.045 -0.000 0.082) 6.045 19.866 ( 0.788 0.000 -5.589) 5.644 20.833 ( 9.443 0.000 -2.209) 9.698 23.031 ( -2.432 -0.000 4.496) 5.112 23.083 (-105.666 -0.000 -3.642) 105.729 23.774 ( 2.551 0.000 -0.251) 2.564 ======================= Grid point 126 (38/432) ======================= q-point: ( 0.09 0.00 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 6.511 -16.561 25.813) 31.352 1.352 ( -1.225 -10.044 38.757) 40.056 2.300 ( 29.864 -7.421 52.476) 60.833 4.126 ( -10.300 1.195 12.991) 16.622 4.219 ( 2.238 2.856 -4.971) 6.154 4.970 ( -1.720 10.161 12.523) 16.218 5.127 ( 5.893 5.956 -6.280) 10.471 5.248 ( -11.316 2.234 22.380) 25.178 5.383 ( 3.228 -7.378 -0.273) 8.058 5.894 ( -0.391 0.263 -16.096) 16.102 6.109 ( -7.885 3.283 -8.538) 12.077 6.432 ( -19.434 9.322 10.150) 23.824 6.901 ( -10.247 0.641 6.007) 11.896 7.011 ( -2.807 10.671 8.619) 14.001 7.290 ( 4.859 -8.871 -1.666) 10.251 7.676 ( 1.607 -4.964 -2.571) 5.816 8.448 ( -2.265 -9.039 6.925) 11.610 9.268 ( -1.180 -6.460 -7.427) 9.914 9.644 ( 1.417 5.795 0.099) 5.967 9.682 ( -1.675 0.402 0.907) 1.947 10.527 ( 32.604 10.457 -4.920) 34.592 11.117 ( -1.324 -14.469 -3.804) 15.019 11.984 ( -4.498 16.278 15.572) 22.971 12.079 ( 2.393 -0.464 -4.844) 5.423 12.600 ( 0.856 -17.285 -10.278) 20.128 13.115 ( 2.394 -6.255 5.685) 8.785 13.443 ( -2.508 -0.338 -2.862) 3.820 15.370 ( -6.105 2.425 -16.458) 17.721 18.461 ( 6.104 15.704 1.076) 16.883 19.189 ( -31.000 9.956 -0.955) 32.574 19.438 ( -19.969 -13.621 -0.154) 24.173 19.903 ( -0.649 -0.988 -3.090) 3.309 20.965 ( 12.603 4.709 4.487) 14.183 22.408 ( 4.019 23.681 2.675) 24.168 23.217 ( -5.405 -28.408 -3.745) 29.160 23.808 ( 2.039 -0.148 0.805) 2.197 ======================= Grid point 127 (39/432) ======================= q-point: ( 0.18 0.00 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 13.601 -17.995 20.976) 30.803 1.884 ( -0.103 -16.372 37.319) 40.752 3.308 ( 35.276 -6.585 35.413) 50.417 4.145 ( -10.497 1.585 15.878) 19.100 4.164 ( 4.240 5.723 -4.603) 8.480 4.977 ( -0.658 13.664 -4.051) 14.267 5.029 ( 2.138 8.902 3.044) 9.648 5.337 ( -5.077 -2.470 4.091) 6.972 5.522 ( 3.453 -0.206 13.346) 13.787 5.741 ( 0.742 0.941 -8.686) 8.768 5.923 ( 0.878 -2.258 -8.888) 9.213 6.386 ( -5.364 -1.536 10.448) 11.844 6.802 ( -15.163 0.601 7.738) 17.034 6.965 ( -1.146 10.400 3.085) 10.908 7.412 ( 4.803 -9.539 -2.275) 10.920 7.635 ( -2.328 5.150 -3.796) 6.808 8.568 ( -4.760 -8.911 8.376) 13.123 9.276 ( -0.916 -9.682 -2.784) 10.116 9.600 ( 4.514 2.332 -3.364) 6.094 9.669 ( -1.929 6.629 3.913) 7.936 10.657 ( 13.203 12.476 -4.518) 18.719 11.246 ( 5.012 -19.308 -3.979) 20.341 11.934 ( -6.098 14.800 8.446) 18.098 12.083 ( 5.305 0.025 -3.576) 6.397 12.677 ( 1.509 -19.141 -5.721) 20.035 13.258 ( 3.918 -0.545 7.160) 8.180 13.364 ( -4.957 -0.854 -2.382) 5.565 15.037 ( -8.730 3.818 -19.441) 21.650 18.427 ( -0.731 17.768 8.209) 19.586 18.764 ( -13.098 5.071 -8.227) 16.277 19.291 ( -21.722 -16.744 0.166) 27.427 19.794 ( -7.966 1.751 -4.321) 9.230 21.174 ( 13.552 5.211 8.125) 16.638 22.407 ( 15.344 9.666 -5.944) 19.084 23.301 ( -1.993 -16.623 -4.941) 17.456 23.842 ( 1.310 0.543 1.359) 1.965 ======================= Grid point 128 (40/432) ======================= q-point: ( 0.27 0.00 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 12.779 -14.189 17.837) 26.130 2.472 ( 5.292 -19.113 33.349) 38.800 3.939 ( 13.665 5.154 7.342) 16.346 4.064 ( -2.046 7.590 -2.971) 8.404 4.343 ( 11.441 -4.021 19.979) 23.372 4.706 ( -3.445 16.625 -11.520) 20.518 5.032 ( 2.931 -0.456 -6.088) 6.772 5.320 ( 2.379 -2.502 -4.610) 5.760 5.602 ( -10.846 2.122 17.426) 20.635 5.856 ( 8.554 2.674 13.118) 15.887 5.950 ( 9.172 -7.736 -7.522) 14.162 6.488 ( -5.577 -3.615 13.773) 15.293 6.708 ( -12.630 -1.958 8.039) 15.099 6.878 ( -0.915 8.962 -1.713) 9.170 7.381 ( -5.808 7.610 -10.749) 14.394 7.606 ( 6.767 -4.362 3.506) 8.782 8.648 ( -8.988 -9.287 7.043) 14.719 9.252 ( -4.863 -0.283 -2.251) 5.366 9.591 ( -3.015 5.982 -0.314) 6.706 9.756 ( 13.084 -4.189 6.248) 15.092 10.628 ( 2.179 2.459 -4.761) 5.785 11.407 ( 5.967 -5.407 -3.806) 8.907 11.796 ( -6.070 7.080 2.309) 9.608 12.131 ( 7.174 -0.323 -2.743) 7.687 12.797 ( -0.422 -14.953 -0.757) 14.978 13.207 ( -7.037 3.849 -3.877) 8.908 13.476 ( 6.623 -3.135 11.181) 13.368 14.662 ( -9.046 4.136 -19.469) 21.863 18.256 ( -12.941 11.631 2.388) 17.563 18.646 ( 11.538 7.575 -5.938) 15.026 19.171 ( -19.967 -18.260 0.925) 27.074 19.595 ( -8.827 3.278 -6.445) 11.410 21.375 ( 10.565 7.030 7.041) 14.513 22.474 ( 12.499 0.814 -6.342) 14.039 23.352 ( 1.059 -10.819 -4.318) 11.697 23.858 ( 0.043 2.048 1.611) 2.606 ======================= Grid point 129 (41/432) ======================= q-point: ( 0.36 0.00 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( 6.707 -6.542 11.724) 15.007 3.065 ( 7.794 -16.531 26.979) 32.587 3.881 ( -1.310 9.543 -9.596) 13.597 3.964 ( -4.145 7.113 2.313) 8.551 4.387 ( -4.009 14.434 -8.117) 17.038 4.734 ( 11.291 -6.299 2.660) 13.200 5.043 ( 8.565 -9.269 -7.046) 14.454 5.311 ( -3.102 0.515 0.900) 3.270 5.686 ( -5.033 -4.523 8.784) 11.088 5.962 ( 2.344 1.170 0.379) 2.647 6.182 ( 7.795 -0.434 14.767) 16.703 6.576 ( -8.364 0.120 15.031) 17.202 6.719 ( -8.211 -4.761 10.566) 14.203 6.760 ( 1.300 7.072 -6.461) 9.667 7.066 ( -8.709 9.007 -10.260) 16.194 7.840 ( 15.297 -3.407 4.549) 16.318 8.629 ( -16.044 -7.475 5.274) 18.469 9.159 ( -3.801 3.449 -0.093) 5.133 9.487 ( -2.266 6.521 -1.573) 7.080 10.065 ( 12.209 -4.572 7.256) 14.920 10.613 ( -0.255 -9.904 -2.741) 10.280 11.276 ( -4.577 17.465 -7.064) 19.388 11.851 ( 4.918 -8.017 4.078) 10.251 12.198 ( 6.353 -0.175 -1.774) 6.598 12.885 ( -1.612 -8.263 1.678) 8.584 13.020 ( -8.023 5.595 -3.180) 10.286 13.739 ( 8.288 -4.953 8.870) 13.112 14.318 ( -6.859 3.667 -14.499) 16.453 18.051 ( -6.685 5.492 -2.096) 8.902 18.680 ( 10.131 6.737 -4.875) 13.107 19.100 ( -15.244 -14.995 2.219) 21.498 19.406 ( -4.608 1.771 -5.565) 7.439 21.471 ( 6.679 8.975 1.905) 11.348 22.571 ( 7.065 -5.191 -2.379) 9.084 23.419 ( 4.221 -7.567 -3.287) 9.267 23.844 ( -1.170 4.131 1.710) 4.621 ======================= Grid point 130 (42/432) ======================= q-point: (-0.55 0.00 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( -3.405 8.049 -1.683) 8.900 3.358 ( -11.622 6.495 4.357) 14.008 3.741 ( 3.557 -2.370 1.518) 4.536 3.960 ( 1.038 -2.427 7.741) 8.179 4.208 ( 1.426 2.035 -5.529) 6.062 4.845 ( 8.087 -7.541 -10.899) 15.526 5.123 ( -8.194 -4.275 -3.164) 9.769 5.339 ( 2.090 -7.516 8.179) 11.303 5.667 ( -8.493 -3.962 -3.200) 9.904 5.959 ( -4.180 0.587 1.674) 4.541 6.290 ( -0.126 2.664 -7.463) 7.926 6.547 ( -5.284 15.292 -0.440) 16.185 6.612 ( -7.340 7.026 13.582) 16.962 6.904 ( -0.467 -9.628 11.258) 14.821 6.934 ( 1.700 -1.173 6.809) 7.116 8.096 ( 14.665 -0.492 -1.564) 14.757 8.506 ( -16.001 1.383 9.224) 18.521 9.111 ( -3.126 -1.215 1.419) 3.642 9.410 ( 0.709 3.669 -1.963) 4.221 10.189 ( -3.844 -2.731 -2.023) 5.131 10.768 ( 6.320 -11.238 2.698) 13.173 11.000 ( -0.178 15.287 -4.310) 15.884 12.015 ( 1.995 -1.715 5.701) 6.279 12.248 ( 3.510 0.304 -0.918) 3.640 12.871 ( 1.274 6.131 -1.909) 6.547 12.957 ( -3.129 -6.297 4.301) 8.242 13.779 ( -4.432 2.402 -12.602) 13.573 14.270 ( 7.777 -3.842 8.750) 12.321 17.941 ( -2.276 0.424 -4.101) 4.709 18.667 ( 5.651 1.817 -7.710) 9.730 19.062 ( -10.759 -7.763 3.366) 13.687 19.363 ( 4.003 -1.226 -0.487) 4.215 21.452 ( 4.264 8.768 -4.153) 10.598 22.676 ( -0.226 -8.599 2.375) 8.924 23.510 ( 6.138 -4.942 -1.612) 8.043 23.802 ( -1.487 6.393 1.817) 6.810 ======================= Grid point 131 (43/432) ======================= q-point: (-0.45 0.00 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( -11.716 18.727 -11.604) 24.953 2.972 ( -22.351 20.172 -3.021) 30.259 3.866 ( 1.914 -5.007 2.243) 5.811 4.033 ( -2.191 -4.356 0.169) 4.878 4.367 ( 8.218 -12.963 4.111) 15.889 4.844 ( 4.785 -7.362 -16.014) 18.263 4.849 ( -23.010 1.414 -6.762) 24.025 5.443 ( -10.628 -4.383 -5.126) 12.587 5.627 ( -3.578 -13.981 12.495) 19.089 5.869 ( -7.921 3.838 1.078) 8.867 6.137 ( 2.186 3.653 -8.767) 9.746 6.376 ( 4.633 11.213 -8.017) 14.542 6.674 ( -8.256 8.248 22.307) 25.175 6.928 ( -6.243 -3.334 3.845) 8.055 7.247 ( 4.415 -10.238 14.788) 18.520 8.079 ( -8.967 1.417 -3.035) 9.572 8.502 ( 6.663 13.443 7.558) 16.800 9.142 ( -1.248 -8.044 2.654) 8.562 9.401 ( 3.841 1.035 -1.961) 4.435 10.011 ( -13.945 -1.653 -8.659) 16.498 10.783 ( 2.366 12.569 2.734) 13.078 11.124 ( 11.059 -13.242 0.153) 17.254 12.016 ( -7.657 8.550 6.794) 13.337 12.258 ( 0.534 1.447 -0.653) 1.675 12.924 ( 10.961 3.564 2.875) 11.879 13.042 ( 0.593 -5.542 5.508) 7.836 13.482 ( -8.314 5.450 -15.008) 18.001 14.590 ( 12.836 -5.926 12.467) 18.850 17.847 ( -0.949 -2.937 -12.387) 12.766 18.681 ( 5.595 -3.828 -1.911) 7.043 19.028 ( -5.187 -1.243 2.431) 5.862 19.486 ( 8.326 -2.292 3.592) 9.353 21.350 ( 2.688 7.658 -9.388) 12.410 22.751 ( -7.943 -11.246 5.269) 14.742 23.621 ( 6.004 -2.780 1.690) 6.829 23.750 ( -0.456 8.344 2.471) 8.714 ======================= Grid point 132 (44/432) ======================= q-point: (-0.36 0.00 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -16.989 21.678 -10.642) 29.526 2.442 ( -24.840 26.545 -1.520) 36.386 3.809 ( -12.337 4.938 -18.081) 22.439 4.036 ( -9.781 -7.879 1.668) 12.670 4.230 ( -17.920 -0.945 -3.305) 18.247 4.668 ( -2.177 -13.760 -8.582) 16.362 4.867 ( 5.096 -7.028 0.091) 8.682 5.267 ( -14.103 -4.210 -1.010) 14.753 5.734 ( -0.913 2.459 -2.991) 3.978 5.888 ( -5.138 -11.491 14.949) 19.543 6.099 ( 4.366 1.413 -3.486) 5.763 6.323 ( 8.550 4.882 -3.479) 10.442 6.732 ( -12.739 4.395 19.878) 24.015 6.901 ( -6.704 -2.483 2.935) 7.729 7.496 ( -0.827 -10.343 8.190) 13.219 7.912 ( -10.748 4.374 2.919) 11.966 8.527 ( 9.634 18.545 1.681) 20.966 9.258 ( 0.976 -12.756 1.077) 12.838 9.433 ( 6.483 3.757 -1.135) 7.578 9.752 ( -11.159 -0.315 -6.240) 12.789 10.785 ( 0.425 0.712 3.312) 3.414 11.325 ( 8.795 -8.853 -5.578) 13.669 11.885 ( -12.633 11.363 10.298) 19.869 12.230 ( -0.936 2.377 -0.570) 2.618 13.094 ( 10.294 6.213 8.437) 14.689 13.155 ( -4.974 2.954 -9.428) 11.061 13.211 ( 3.852 -1.700 2.329) 4.811 14.952 ( 14.305 -5.706 11.128) 19.000 17.664 ( 0.371 -4.897 -24.634) 25.119 18.820 ( 0.682 -8.976 6.046) 10.844 19.019 ( 6.078 7.151 1.491) 9.503 19.668 ( 8.752 -2.148 4.745) 10.184 21.185 ( 1.108 6.685 -12.975) 14.638 22.775 ( -14.733 -14.602 5.895) 21.565 23.707 ( 4.827 3.893 -3.605) 7.173 23.764 ( 0.609 4.069 14.923) 15.480 ======================= Grid point 133 (45/432) ======================= q-point: (-0.27 0.00 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -21.330 20.523 -1.794) 29.655 1.865 ( -26.641 29.976 0.282) 40.105 2.989 ( -43.650 17.537 -27.342) 54.410 3.982 ( -9.375 -1.269 7.734) 12.219 4.279 ( -0.537 -12.042 6.098) 13.508 4.616 ( -6.510 -13.926 -8.676) 17.651 4.923 ( -2.756 -3.580 -5.008) 6.745 5.188 ( -3.697 -3.411 2.962) 5.838 5.711 ( 0.349 3.505 6.238) 7.163 6.029 ( -2.252 -9.063 1.307) 9.430 6.140 ( 0.051 -2.436 5.319) 5.851 6.423 ( 8.247 -1.988 1.910) 8.695 6.731 ( -17.151 -8.896 12.713) 23.128 6.885 ( -3.198 2.434 4.819) 6.275 7.534 ( -10.837 -5.006 -1.330) 12.011 7.838 ( -2.600 4.124 7.046) 8.568 8.514 ( 10.360 20.363 3.121) 23.059 9.364 ( -2.477 -18.440 -4.155) 19.064 9.480 ( 8.277 13.723 5.237) 16.859 9.627 ( -2.065 -3.838 -3.695) 5.714 10.843 ( -3.357 -12.555 1.159) 13.048 11.345 ( 4.374 0.711 -11.532) 12.354 11.772 ( -17.149 3.418 14.955) 23.009 12.194 ( -0.753 2.469 0.157) 2.586 12.918 ( -5.532 2.428 -8.865) 10.728 13.281 ( 7.613 6.001 12.808) 16.063 13.379 ( 11.870 6.995 5.907) 14.991 15.294 ( 14.336 -4.650 8.045) 17.084 17.375 ( 1.373 -5.153 -35.577) 35.975 18.876 ( -2.783 1.486 1.797) 3.631 19.167 ( 13.795 3.415 6.581) 15.662 19.833 ( 6.856 -0.020 4.041) 7.959 20.991 ( 0.669 4.712 -13.606) 14.414 22.756 ( -20.386 -20.037 6.179) 29.244 23.702 ( 5.748 4.689 -2.444) 7.810 23.947 ( -1.676 3.321 23.722) 24.012 ======================= Grid point 134 (46/432) ======================= q-point: (-0.18 0.00 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -25.694 16.134 12.158) 32.685 1.263 ( -31.334 25.083 -0.870) 40.146 1.941 ( -51.670 27.328 -9.527) 59.222 4.013 ( -4.719 -2.174 10.122) 11.378 4.390 ( -8.855 -8.315 4.504) 12.955 4.584 ( -2.942 -13.856 -2.492) 14.382 4.866 ( -0.574 1.663 3.092) 3.557 5.192 ( -1.490 -0.610 -1.734) 2.366 5.876 ( 3.070 -3.967 20.523) 21.128 6.049 ( -4.803 -8.028 -0.249) 9.359 6.214 ( -1.560 -3.920 2.848) 5.091 6.554 ( 1.203 -7.959 -0.680) 8.078 6.762 ( -15.471 -18.547 9.626) 26.000 6.863 ( 1.313 5.193 -0.862) 5.426 7.329 ( -17.081 -0.843 -1.839) 17.200 7.908 ( 1.925 1.183 8.389) 8.688 8.544 ( 14.963 24.530 6.474) 29.453 9.430 ( -1.752 -12.180 -1.124) 12.356 9.509 ( 0.865 7.494 4.534) 8.802 9.646 ( 7.179 -1.345 -4.750) 8.713 10.891 ( -8.667 -25.894 -14.003) 30.687 11.216 ( 1.324 8.928 -6.205) 10.953 11.736 ( -26.063 -17.222 20.216) 37.210 12.175 ( -0.785 1.049 0.486) 1.397 12.784 ( -2.246 0.418 -3.937) 4.552 13.440 ( 2.380 -3.453 3.410) 5.405 13.557 ( 24.826 33.314 12.767) 43.464 15.564 ( 13.346 -1.581 1.994) 13.586 16.993 ( -2.209 -0.743 -29.138) 29.231 18.816 ( 4.924 14.174 -2.528) 15.217 19.380 ( 8.823 0.853 6.323) 10.889 19.925 ( 3.231 2.774 2.480) 4.928 20.841 ( 2.767 1.417 -11.185) 11.609 22.745 ( -25.068 -29.638 8.411) 39.719 23.719 ( 5.774 2.706 -2.505) 6.851 24.233 ( -2.811 -1.454 34.485) 34.629 ======================= Grid point 135 (47/432) ======================= q-point: (-0.09 0.00 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( -36.978 13.103 -1.063) 39.245 0.621 ( -23.769 14.023 22.467) 35.586 1.233 ( -44.434 27.690 45.974) 69.676 4.046 ( -4.447 -0.602 2.993) 5.394 4.336 ( -7.761 -3.861 -0.233) 8.672 4.762 ( 1.956 -16.183 10.530) 19.406 4.977 ( 6.489 4.684 12.679) 14.993 5.136 ( 0.629 3.007 -3.192) 4.430 5.973 ( -19.223 -14.244 -8.435) 25.368 6.202 ( -2.214 -3.102 -4.230) 5.694 6.345 ( 5.179 -4.976 5.131) 8.827 6.522 ( 8.944 -7.497 9.911) 15.311 6.851 ( 0.632 -7.098 4.560) 8.460 6.880 ( -8.249 -18.397 3.490) 20.461 7.177 ( -19.981 -12.558 10.369) 25.777 8.045 ( -1.046 -11.021 5.208) 12.235 8.614 ( 24.946 36.645 -5.551) 44.677 9.438 ( 0.595 4.569 -2.885) 5.436 9.541 ( -0.379 -3.948 4.301) 5.851 9.695 ( 7.655 0.938 -2.712) 8.176 10.425 ( -47.629 -16.551 -43.098) 66.332 11.155 ( 1.793 7.448 0.191) 7.663 11.930 ( -27.587 -54.521 19.077) 64.012 12.155 ( -1.408 -0.603 -1.640) 2.244 12.746 ( 0.045 0.783 -1.331) 1.545 13.391 ( 15.155 65.871 -38.827) 77.950 13.494 ( 1.311 -0.687 -0.424) 1.540 15.658 ( 6.132 0.670 -7.739) 9.897 17.364 ( 43.421 -23.515 83.256) 96.798 18.731 ( 19.223 32.917 -2.069) 38.175 19.506 ( 1.796 -0.481 3.585) 4.038 19.935 ( -0.047 2.972 -0.049) 2.972 20.787 ( 5.846 -0.587 -7.613) 9.617 22.825 ( -25.359 -43.300 10.849) 51.339 23.745 ( 4.212 1.014 -1.689) 4.650 24.545 ( -18.833 -19.749 -7.825) 28.389 ======================= Grid point 137 (48/432) ======================= q-point: ( 0.09 0.09 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 14.572 0.000 27.480) 31.105 1.737 ( -2.537 -0.000 40.516) 40.595 3.252 ( 38.226 0.000 36.809) 53.067 4.158 ( -10.760 -0.000 17.249) 20.330 4.218 ( 5.515 0.000 -6.073) 8.204 5.107 ( -0.284 -0.000 -2.415) 2.432 5.129 ( -2.810 -0.000 1.691) 3.279 5.279 ( -2.806 -0.000 -2.455) 3.728 5.526 ( 4.472 0.000 19.538) 20.043 5.749 ( 6.373 0.000 -11.395) 13.056 5.889 ( -5.726 -0.000 -13.487) 14.653 6.390 ( -12.112 -0.000 14.148) 18.624 6.804 ( -16.243 -0.000 7.469) 17.878 7.161 ( 3.692 0.000 -10.113) 10.766 7.211 ( 0.384 0.000 11.785) 11.791 7.695 ( 0.332 0.000 -2.324) 2.348 8.475 ( -6.842 -0.000 11.495) 13.377 9.186 ( 1.531 0.000 -1.920) 2.456 9.615 ( 2.790 0.000 -5.577) 6.236 9.737 ( 0.440 0.000 2.412) 2.452 10.917 ( -7.248 -0.000 -6.535) 9.759 10.930 ( 27.179 0.000 -2.911) 27.335 12.061 ( 5.972 0.000 -5.468) 8.097 12.214 ( -3.810 -0.000 16.462) 16.897 12.383 ( -0.643 -0.000 -11.466) 11.484 13.246 ( 4.975 0.000 9.649) 10.856 13.364 ( -4.103 -0.000 -3.359) 5.302 15.069 ( -9.852 -0.000 -19.079) 21.472 18.618 ( 12.377 0.000 -3.539) 12.873 18.820 ( -35.398 -0.000 8.042) 36.300 19.097 ( -15.813 -0.000 -7.263) 17.401 19.809 ( -7.132 -0.000 -3.900) 8.128 21.229 ( 11.653 0.000 10.448) 15.651 22.525 ( 12.642 0.000 -15.235) 19.797 23.116 ( 1.827 0.000 2.777) 3.324 23.847 ( 1.917 0.000 1.385) 2.365 ======================= Grid point 138 (49/432) ======================= q-point: ( 0.18 0.09 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 18.018 -4.405 24.692) 30.883 2.210 ( 0.449 -9.867 37.868) 39.135 3.991 ( 22.499 1.310 13.722) 26.386 4.191 ( 1.999 6.801 -2.612) 7.554 4.287 ( 5.075 -3.490 14.099) 15.386 4.936 ( -4.628 7.358 -10.327) 13.498 5.030 ( -4.947 2.138 -10.571) 11.865 5.265 ( 6.547 -2.762 -5.474) 8.970 5.598 ( -12.886 -2.552 2.540) 13.380 5.853 ( 10.527 -2.590 3.063) 11.265 5.891 ( 8.723 1.087 12.827) 15.550 6.454 ( -7.522 -0.700 18.020) 19.539 6.678 ( -15.427 -1.222 6.825) 16.913 7.046 ( 2.389 9.705 -6.601) 11.978 7.346 ( -0.070 -8.410 -4.571) 9.572 7.635 ( -3.850 4.636 6.720) 9.026 8.495 ( -12.238 -6.572 8.293) 16.178 9.211 ( -2.990 -2.315 2.234) 4.392 9.664 ( 11.650 1.794 -1.826) 11.928 9.747 ( 2.524 1.554 1.271) 3.225 10.701 ( -6.924 4.008 -7.917) 11.256 11.269 ( 19.781 -6.776 0.544) 20.916 12.042 ( 1.466 14.591 -5.965) 15.832 12.148 ( 1.736 6.181 0.695) 6.458 12.480 ( -3.080 -21.506 4.294) 22.146 13.257 ( -5.567 1.685 -3.392) 6.733 13.440 ( 6.553 -1.114 10.478) 12.408 14.705 ( -10.959 1.193 -19.248) 22.181 18.458 ( -19.849 10.860 2.065) 22.720 18.737 ( 12.242 2.902 -7.485) 14.640 18.887 ( -14.882 -13.542 -1.128) 20.152 19.634 ( -9.308 1.206 -6.538) 11.438 21.487 ( 9.132 4.650 13.159) 16.679 22.485 ( 11.192 0.499 -16.151) 19.656 23.201 ( 3.207 -5.722 0.549) 6.582 23.883 ( 1.097 0.794 1.777) 2.234 ======================= Grid point 139 (50/432) ======================= q-point: ( 0.27 0.09 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 12.824 -0.196 21.065) 24.663 2.772 ( 7.034 -16.893 30.953) 35.958 4.043 ( -4.201 8.366 -6.151) 11.201 4.099 ( -2.945 8.952 -0.182) 9.426 4.628 ( 12.725 -2.261 1.184) 12.979 4.666 ( -3.995 13.792 -10.292) 17.667 4.859 ( 3.049 -11.371 -11.327) 16.338 5.258 ( -2.284 -6.621 -10.383) 12.524 5.611 ( -0.187 -3.931 7.227) 8.229 5.993 ( 1.862 2.186 4.924) 5.700 6.179 ( 5.779 -0.068 18.913) 19.777 6.580 ( -7.748 0.222 18.090) 19.681 6.618 ( -6.264 -5.010 5.458) 9.702 6.919 ( 0.332 10.421 -2.763) 10.786 7.176 ( -8.654 2.109 -13.056) 15.805 7.788 ( 6.989 -1.661 14.185) 15.901 8.454 ( -16.555 -11.076 4.553) 20.432 9.175 ( -6.607 -0.133 1.778) 6.844 9.638 ( -0.338 9.225 -1.877) 9.420 9.993 ( 18.963 -3.984 6.031) 20.294 10.514 ( -6.337 -2.962 -7.327) 10.129 11.531 ( 14.566 7.041 -0.986) 16.209 11.828 ( -1.436 10.514 -0.497) 10.623 12.196 ( 6.036 -0.042 -1.260) 6.166 12.653 ( -4.553 -17.952 5.489) 19.317 13.114 ( -6.426 4.479 -3.023) 8.395 13.672 ( 8.641 -2.872 9.048) 12.837 14.353 ( -9.790 0.869 -15.735) 18.553 18.171 ( -10.158 8.495 -3.492) 13.695 18.669 ( -8.087 -9.211 -7.168) 14.199 18.953 ( 8.516 -0.865 1.348) 8.665 19.429 ( -7.301 0.876 -6.907) 10.088 21.651 ( 4.947 11.139 9.773) 15.622 22.466 ( 7.371 -6.810 -12.179) 15.781 23.303 ( 5.187 -5.555 -0.198) 7.603 23.899 ( -0.059 2.356 2.206) 3.228 ======================= Grid point 140 (51/432) ======================= q-point: ( 0.36 0.09 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( 4.425 7.941 9.808) 13.373 3.293 ( 3.379 -12.338 19.384) 23.225 3.805 ( -5.259 8.646 -6.716) 12.146 3.961 ( -6.136 2.649 1.371) 6.823 4.338 ( -5.556 11.335 -11.286) 16.933 4.713 ( 6.841 -7.044 -10.467) 14.352 4.994 ( -0.676 -10.458 -2.897) 10.873 5.185 ( -2.534 -10.776 -0.798) 11.098 5.639 ( -3.029 0.487 -5.176) 6.017 5.980 ( -6.080 1.725 2.918) 6.961 6.332 ( 1.425 2.745 -3.959) 5.024 6.661 ( -6.206 -0.991 7.490) 9.778 6.721 ( -2.996 -4.570 14.239) 15.252 6.853 ( -2.486 12.850 9.680) 16.279 6.946 ( -3.254 2.165 0.127) 3.910 8.070 ( 12.500 -2.494 3.624) 13.251 8.387 ( -17.625 -12.675 9.720) 23.786 9.105 ( -6.600 1.183 2.220) 7.063 9.521 ( -1.750 6.852 -2.912) 7.648 10.180 ( -0.790 1.893 -4.374) 4.831 10.565 ( 13.195 -11.014 4.091) 17.668 11.383 ( 1.014 27.000 -4.344) 27.366 11.970 ( 9.403 -3.114 8.158) 12.832 12.250 ( 3.843 -0.028 -0.839) 3.933 12.788 ( -4.260 -14.090 5.231) 15.621 12.972 ( -3.229 5.677 -1.686) 6.745 13.797 ( 0.347 0.177 -9.221) 9.229 14.197 ( 1.807 -4.594 4.150) 6.450 17.974 ( -4.584 3.441 -6.462) 8.638 18.570 ( -7.691 -10.943 -6.229) 14.755 19.054 ( 6.746 5.046 0.256) 8.428 19.338 ( 3.070 -2.126 -2.696) 4.606 21.648 ( 1.917 14.272 1.366) 14.465 22.507 ( 0.877 -11.771 -4.744) 12.721 23.425 ( 6.917 -4.716 0.290) 8.377 23.894 ( -0.752 4.382 2.779) 5.243 ======================= Grid point 141 (52/432) ======================= q-point: (-0.55 0.09 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( -6.132 19.021 -7.101) 21.209 3.246 ( -18.459 11.522 -1.223) 21.794 3.809 ( 3.464 -1.948 5.162) 6.515 3.979 ( -5.352 -3.269 1.365) 6.418 4.182 ( 4.213 -7.246 -0.837) 8.424 4.706 ( 1.497 -8.219 -12.316) 14.882 4.862 ( -17.951 -1.275 -2.647) 18.190 5.356 ( 3.832 -10.086 1.489) 10.892 5.412 ( -13.507 -5.159 -9.157) 17.115 5.921 ( -5.390 1.516 2.139) 5.994 6.201 ( 0.999 4.432 -9.780) 10.784 6.523 ( -3.999 3.839 -9.593) 11.080 6.807 ( -8.220 7.537 19.985) 22.886 6.913 ( -3.288 2.343 7.955) 8.921 7.093 ( 1.974 -7.338 15.014) 16.827 8.080 ( -7.355 -0.950 -3.688) 8.282 8.548 ( 3.642 -8.291 11.393) 14.554 9.043 ( -5.820 -0.172 2.376) 6.289 9.448 ( 0.363 1.575 -1.322) 2.088 9.996 ( -9.096 0.942 -9.899) 13.477 10.924 ( 17.067 -6.314 6.005) 19.162 11.143 ( 0.710 24.729 -0.822) 24.753 12.136 ( 0.804 5.470 7.756) 9.524 12.276 ( 0.670 0.605 0.727) 1.159 12.910 ( -1.748 -10.975 5.290) 12.308 12.961 ( 8.001 1.793 2.027) 8.446 13.556 ( -7.465 3.340 -15.417) 17.452 14.467 ( 11.355 -8.440 11.136) 18.005 17.811 ( -3.341 -1.383 -13.411) 13.890 18.545 ( -3.189 -10.032 0.437) 10.536 19.084 ( 7.088 5.923 -0.277) 9.241 19.452 ( 10.469 -1.982 1.272) 10.731 21.520 ( 0.386 12.658 -5.881) 13.963 22.549 ( -7.203 -13.114 0.393) 14.967 23.562 ( 7.104 -3.612 1.496) 8.109 23.877 ( -0.450 6.413 3.982) 7.562 ======================= Grid point 142 (53/432) ======================= q-point: (-0.45 0.09 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( -12.079 24.301 -11.056) 29.304 2.822 ( -22.178 18.069 -3.829) 28.862 3.874 ( -4.173 -0.263 -4.539) 6.171 3.911 ( -2.932 -3.935 2.216) 5.384 4.269 ( -11.413 -0.235 -7.649) 13.741 4.461 ( -16.726 -5.527 -7.404) 19.108 4.748 ( 2.388 -6.307 0.870) 6.799 5.150 ( -14.761 -8.503 -3.844) 17.464 5.591 ( 2.094 -15.692 4.725) 16.522 5.849 ( -5.490 2.595 0.855) 6.132 6.135 ( 6.156 2.916 -4.613) 8.227 6.371 ( -1.456 0.227 -6.690) 6.850 6.797 ( -15.649 4.440 12.420) 20.467 6.931 ( -1.922 4.142 7.484) 8.767 7.323 ( -1.909 -9.659 11.043) 14.795 7.951 ( -8.560 1.051 1.484) 8.751 8.724 ( 6.383 1.338 1.402) 6.670 9.031 ( -4.149 -7.803 1.198) 8.918 9.479 ( 3.604 -1.375 1.932) 4.314 9.760 ( -8.137 1.231 -8.056) 11.516 10.947 ( -1.209 20.023 0.751) 20.073 11.221 ( 13.190 -4.031 1.603) 13.885 12.089 ( -7.334 11.618 6.528) 15.211 12.269 ( -1.802 2.315 1.654) 3.368 13.048 ( 1.416 -9.098 4.701) 10.339 13.160 ( 12.577 0.743 -1.973) 12.752 13.276 ( -4.705 3.937 -3.110) 6.879 14.824 ( 13.516 -9.493 9.257) 18.934 17.587 ( -3.396 -4.101 -21.978) 22.613 18.668 ( 1.122 -8.376 8.698) 12.127 19.151 ( 12.737 8.051 -0.215) 15.070 19.637 ( 11.395 -1.707 3.057) 11.921 21.324 ( -1.128 9.997 -10.781) 14.746 22.535 ( -15.160 -14.235 2.351) 20.928 23.690 ( 5.796 -2.188 0.942) 6.267 23.886 ( 0.714 7.043 8.631) 11.163 ======================= Grid point 143 (54/432) ======================= q-point: (-0.36 0.09 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -14.101 26.727 -5.536) 30.721 2.287 ( -25.535 20.210 -8.339) 33.616 3.388 ( -30.906 28.169 -13.895) 44.065 3.962 ( -4.099 -1.207 6.027) 7.388 4.071 ( -4.598 -11.134 1.111) 12.098 4.364 ( -9.264 -15.926 -6.424) 19.512 4.829 ( -2.274 -7.046 -1.895) 7.642 5.100 ( -6.337 -7.192 7.385) 12.101 5.738 ( 2.052 -2.256 -0.997) 3.209 5.810 ( -7.194 -13.707 3.338) 15.836 6.155 ( 3.287 3.618 0.426) 4.906 6.352 ( 1.356 -6.839 -1.649) 7.164 6.653 ( -17.344 0.156 6.216) 18.425 6.956 ( -1.572 3.607 6.064) 7.229 7.421 ( -8.892 -7.034 4.512) 12.203 7.899 ( -2.143 2.905 4.730) 5.950 8.764 ( 7.476 6.857 -1.350) 10.234 9.071 ( -3.942 -13.587 -0.652) 14.163 9.561 ( 2.021 -2.685 -2.854) 4.409 9.642 ( -0.415 1.303 3.751) 3.992 10.764 ( -7.103 9.170 -2.782) 11.928 11.368 ( 7.980 2.063 -1.641) 8.404 11.945 ( -10.229 13.118 7.167) 18.113 12.238 ( -2.267 2.634 1.404) 3.748 12.964 ( -4.655 3.170 -11.890) 13.156 13.209 ( 2.095 -8.201 5.370) 10.024 13.525 ( 17.106 4.740 13.490) 22.295 15.172 ( 13.974 -9.993 5.833) 18.143 17.297 ( -3.145 -3.870 -26.864) 27.323 18.865 ( 5.228 -2.158 8.926) 10.567 19.274 ( 15.661 8.533 1.378) 17.888 19.832 ( 10.712 -0.320 3.811) 11.374 21.090 ( -2.204 7.106 -13.234) 15.182 22.448 ( -23.070 -16.829 3.237) 28.739 23.748 ( 4.435 1.377 -2.150) 5.117 24.003 ( 1.232 3.285 16.576) 16.943 ======================= Grid point 144 (55/432) ======================= q-point: (-0.27 0.09 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -14.323 27.620 4.842) 31.487 1.622 ( -31.337 19.473 -14.568) 39.667 2.571 ( -32.944 44.099 1.619) 55.070 3.976 ( -3.435 -2.208 5.683) 6.998 4.198 ( -5.001 -14.073 5.100) 15.782 4.329 ( -7.077 -16.377 -2.488) 18.013 4.835 ( -2.847 -4.977 3.882) 6.924 5.171 ( -2.685 -2.071 5.824) 6.739 5.757 ( -11.010 -10.178 5.892) 16.110 5.879 ( -1.256 -11.463 -0.027) 11.532 6.170 ( -3.173 -0.628 4.297) 5.378 6.412 ( -2.955 -8.807 -1.214) 9.368 6.562 ( -5.982 -5.340 2.830) 8.504 6.964 ( 0.906 4.042 1.407) 4.375 7.310 ( -16.446 -0.991 1.411) 16.536 7.945 ( 3.738 2.660 4.317) 6.300 8.809 ( 12.785 5.687 -4.090) 14.578 9.169 ( -2.984 -13.905 6.987) 15.845 9.543 ( -0.054 -2.852 -3.119) 4.227 9.729 ( 3.421 2.378 4.532) 6.156 10.524 ( -17.625 -4.427 -9.265) 20.398 11.372 ( 3.246 8.940 -0.650) 9.533 11.780 ( -11.745 12.249 7.544) 18.571 12.202 ( -1.832 1.932 0.437) 2.697 12.800 ( -1.950 1.638 -5.383) 5.955 13.349 ( 1.817 -7.442 2.575) 8.082 13.863 ( 19.782 7.278 10.820) 23.693 15.470 ( 13.756 -9.807 -0.695) 16.908 16.989 ( -3.204 0.316 -18.335) 18.616 19.026 ( 14.749 9.235 2.581) 17.592 19.425 ( 11.392 5.109 2.623) 12.758 19.983 ( 7.647 3.925 3.496) 9.279 20.876 ( -0.241 2.792 -12.678) 12.984 22.302 ( -32.454 -21.987 6.440) 39.726 23.759 ( 3.849 2.245 -2.144) 4.945 24.209 ( -0.696 -1.418 18.600) 18.667 ======================= Grid point 145 (56/432) ======================= q-point: (-0.18 0.09 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -21.859 24.842 0.946) 33.104 0.988 ( -11.693 27.223 16.404) 33.866 1.918 ( -28.763 48.414 23.689) 61.093 4.026 ( -1.582 -2.071 3.461) 4.332 4.218 ( -8.361 -9.362 1.315) 12.621 4.464 ( -1.489 -18.772 9.055) 20.895 4.937 ( 1.804 -6.789 4.130) 8.149 5.211 ( -1.867 3.236 10.068) 10.739 5.635 ( -36.727 -17.851 6.531) 41.354 6.066 ( 1.778 -14.277 3.921) 14.912 6.199 ( -0.241 -7.128 5.459) 8.981 6.359 ( -9.407 -6.471 -5.031) 12.477 6.633 ( 4.940 -3.333 4.056) 7.208 6.942 ( 2.774 4.173 -2.697) 5.691 7.140 ( -16.315 1.396 9.774) 19.069 8.009 ( 2.467 1.325 0.736) 2.896 8.890 ( 17.304 1.377 -14.674) 22.730 9.391 ( 2.729 -11.367 11.223) 16.205 9.525 ( 1.009 1.432 -3.076) 3.540 9.759 ( -0.949 0.004 1.222) 1.548 10.128 ( -28.942 -3.224 -11.989) 31.493 11.337 ( 2.273 11.998 4.178) 12.906 11.639 ( -12.957 6.152 12.555) 19.062 12.166 ( -0.873 1.152 -1.571) 2.135 12.753 ( 0.470 0.641 -0.470) 0.924 13.426 ( 0.190 -5.853 -1.464) 6.036 13.997 ( 14.198 13.995 -23.604) 30.897 15.614 ( 9.093 -7.016 -14.607) 18.581 17.071 ( 8.748 -10.034 37.112) 39.428 19.195 ( 31.249 18.271 -1.966) 36.252 19.507 ( 3.771 1.735 -1.233) 4.330 20.026 ( 1.583 7.659 1.928) 8.055 20.771 ( 4.589 -1.175 -9.741) 10.832 22.140 ( -44.385 -29.500 16.472) 55.782 23.767 ( 2.887 1.626 -1.240) 3.538 24.341 ( -11.082 -6.107 3.333) 13.085 ======================= Grid point 146 (57/432) ======================= q-point: (-0.09 0.09 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -1.327 25.321 22.128) 33.653 0.977 ( 16.976 19.124 31.081) 40.249 1.677 ( -13.752 32.523 52.078) 62.921 4.069 ( -1.144 -0.976 7.012) 7.171 4.218 ( -2.301 -6.319 -1.416) 6.873 4.741 ( -1.708 -18.226 11.839) 21.801 5.044 ( 5.437 -7.742 -3.641) 10.136 5.323 ( -39.906 -10.273 13.270) 43.291 5.332 ( 5.684 6.553 9.921) 13.179 6.050 ( -2.659 -4.356 -10.005) 11.231 6.229 ( -9.274 -6.541 -3.327) 11.826 6.415 ( -13.314 -23.169 9.582) 28.388 6.861 ( 4.617 -5.732 10.306) 12.664 6.930 ( -2.677 -0.853 3.634) 4.593 7.130 ( 2.299 1.247 10.983) 11.290 7.929 ( -8.397 5.948 -7.894) 12.969 8.665 ( -4.487 18.485 -20.291) 27.813 9.440 ( -1.132 7.344 -5.477) 9.231 9.527 ( -2.795 -7.986 3.321) 9.090 9.745 ( -8.976 -3.770 -1.233) 9.813 10.036 ( 29.102 0.181 7.405) 30.030 11.272 ( 1.409 15.828 -0.672) 15.905 11.720 ( -9.660 -12.470 21.854) 26.952 12.123 ( 0.406 0.787 -4.005) 4.102 12.757 ( 1.960 3.413 -1.783) 4.321 13.334 ( -2.598 14.959 -19.596) 24.789 13.544 ( -0.042 16.654 -11.789) 20.404 15.551 ( 0.055 -4.686 -13.654) 14.436 18.006 ( 10.076 -41.135 30.319) 52.085 19.411 ( -6.272 -5.869 -3.988) 9.470 19.569 ( 28.483 8.934 -4.472) 30.184 19.955 ( -0.559 7.859 -2.368) 8.227 20.776 ( 5.373 -4.398 -2.687) 7.445 22.114 ( -34.370 -34.087 28.349) 56.097 23.780 ( 1.446 0.934 -0.341) 1.755 23.869 ( -28.506 25.547 -19.816) 43.104 ======================= Grid point 149 (58/432) ======================= q-point: ( 0.18 0.18 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( 20.799 0.000 23.227) 31.178 2.584 ( 0.886 0.000 33.875) 33.886 4.118 ( -6.394 -0.000 0.356) 6.404 4.200 ( -1.683 -0.000 -6.989) 7.189 4.581 ( 19.458 0.000 5.066) 20.107 4.739 ( -2.876 -0.000 -16.219) 16.472 4.853 ( -7.126 -0.000 -8.060) 10.758 5.156 ( -1.728 -0.000 -19.315) 19.392 5.576 ( 3.526 0.000 9.079) 9.740 6.015 ( 1.949 0.000 6.755) 7.031 6.178 ( 4.059 0.000 20.353) 20.754 6.567 ( -7.825 -0.000 1.876) 8.047 6.589 ( -6.393 -0.000 20.995) 21.947 7.059 ( 3.407 0.000 -4.297) 5.484 7.140 ( -7.036 -0.000 -12.826) 14.630 7.786 ( -2.167 -0.000 20.500) 20.614 8.345 ( -14.478 -0.000 1.994) 14.615 9.172 ( -6.605 -0.000 3.585) 7.515 9.730 ( -3.044 -0.000 -2.277) 3.801 9.950 ( 23.921 0.000 5.117) 24.463 10.492 ( -8.996 -0.000 -9.264) 12.913 11.550 ( 20.072 0.000 5.115) 20.714 12.042 ( 5.140 0.000 -15.138) 15.987 12.203 ( 3.472 0.000 -0.318) 3.487 12.408 ( -9.829 -0.000 15.312) 18.195 13.153 ( -6.044 -0.000 -2.729) 6.631 13.648 ( 8.463 0.000 9.056) 12.395 14.359 ( -10.904 -0.000 -16.194) 19.523 18.278 ( -13.129 -0.000 -4.140) 13.766 18.538 ( -11.762 -0.000 -5.953) 13.182 18.965 ( 16.301 0.000 -0.637) 16.313 19.436 ( -8.465 -0.000 -7.705) 11.447 21.765 ( 3.825 0.000 15.855) 16.310 22.393 ( 7.605 0.000 -19.394) 20.832 23.254 ( 5.746 0.000 1.427) 5.921 23.919 ( 0.363 0.000 2.261) 2.290 ======================= Grid point 150 (59/432) ======================= q-point: ( 0.27 0.18 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( 7.925 10.415 18.705) 22.829 3.057 ( 8.921 -14.117 21.734) 27.409 3.948 ( -8.193 6.806 -6.439) 12.446 4.010 ( -10.920 1.501 -4.687) 11.978 4.470 ( -8.061 1.710 -18.630) 20.372 4.701 ( 2.824 7.577 -5.744) 9.918 4.826 ( 3.810 -7.926 -2.194) 9.064 4.994 ( -0.424 -10.665 -6.200) 12.343 5.659 ( 1.220 1.094 -3.563) 3.922 6.007 ( -8.455 1.121 2.028) 8.767 6.388 ( 1.196 3.866 3.491) 5.344 6.532 ( 0.243 -7.680 -3.244) 8.341 6.734 ( -10.597 1.268 24.658) 26.869 6.954 ( -1.772 1.177 -1.732) 2.744 7.060 ( -1.580 6.878 4.518) 8.379 8.025 ( 3.393 -2.303 17.157) 17.641 8.202 ( -12.967 -6.800 0.806) 14.664 9.127 ( -7.144 0.920 4.815) 8.664 9.599 ( -7.287 2.269 -5.448) 9.377 10.250 ( -0.003 5.772 -5.992) 8.320 10.404 ( 18.386 -8.095 4.971) 20.695 11.806 ( 11.360 18.285 -2.344) 21.654 11.939 ( 9.429 1.282 3.523) 10.147 12.249 ( 3.679 0.030 -0.566) 3.723 12.514 ( -8.560 -15.847 10.321) 20.759 13.044 ( -4.905 2.480 -1.479) 5.691 13.795 ( 3.843 -0.233 -6.513) 7.566 14.136 ( -2.910 -2.159 0.582) 3.670 18.040 ( -7.409 3.457 -10.190) 13.065 18.403 ( -8.083 -6.942 -1.770) 10.801 19.151 ( 14.365 5.018 -1.672) 15.308 19.290 ( -0.478 -3.110 -4.850) 5.781 21.892 ( -1.092 12.774 9.870) 16.179 22.299 ( 2.974 -11.411 -14.659) 18.813 23.368 ( 7.353 -1.862 1.987) 7.841 23.943 ( -0.219 1.508 2.899) 3.275 ======================= Grid point 151 (60/432) ======================= q-point: (-0.64 0.18 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( -2.570 16.765 -1.118) 16.998 3.314 ( -9.773 -3.739 1.581) 10.582 3.812 ( 0.172 2.515 5.712) 6.243 3.908 ( -4.594 -3.841 4.626) 7.567 4.141 ( -9.183 -0.207 -13.802) 16.579 4.608 ( -2.328 -3.001 -6.888) 7.866 4.800 ( -7.412 -4.159 -2.000) 8.731 5.133 ( 3.267 -12.830 1.361) 13.309 5.473 ( -7.495 7.806 -14.289) 17.924 5.909 ( -6.580 -2.769 -0.881) 7.193 6.284 ( -0.275 5.346 -8.002) 9.627 6.489 ( -4.806 -6.034 -10.089) 12.700 6.882 ( -12.792 1.874 25.282) 28.396 7.010 ( 2.204 1.548 6.266) 6.821 7.034 ( -3.658 5.051 10.140) 11.905 8.060 ( -5.747 -1.107 -3.452) 6.795 8.351 ( 1.942 -11.628 14.590) 18.758 9.080 ( -7.005 2.611 5.267) 9.145 9.438 ( -6.634 -1.943 -4.335) 8.160 10.046 ( -5.638 4.057 -11.072) 13.071 10.824 ( 21.303 -4.645 7.654) 23.108 11.623 ( 3.536 29.851 -1.180) 30.083 12.194 ( 8.329 1.509 9.066) 12.403 12.278 ( 1.115 -0.166 0.889) 1.436 12.668 ( -4.541 -17.689 6.718) 19.459 12.995 ( 2.848 2.118 1.784) 3.972 13.594 ( -6.144 1.375 -16.532) 17.690 14.333 ( 9.826 -6.690 10.427) 15.812 17.799 ( -5.669 -0.203 -15.614) 16.613 18.401 ( -2.329 -6.431 4.318) 8.089 19.185 ( 7.765 5.544 -1.497) 9.658 19.414 ( 13.972 -2.561 -1.214) 14.257 21.762 ( -1.902 16.076 -4.841) 16.897 22.312 ( -5.950 -15.434 -2.483) 16.727 23.512 ( 7.476 -2.235 3.008) 8.363 23.958 ( -0.056 3.272 3.712) 4.948 ======================= Grid point 152 (61/432) ======================= q-point: (-0.55 0.18 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( -9.451 22.205 -9.935) 26.098 3.034 ( -19.717 7.545 -7.056) 22.259 3.788 ( -10.362 -4.829 -5.993) 12.908 3.930 ( -1.493 1.152 7.809) 8.033 4.087 ( -2.006 -14.117 -4.425) 14.929 4.534 ( -13.149 3.511 0.872) 13.638 4.690 ( -2.180 -0.120 -0.150) 2.188 5.056 ( -14.831 -0.997 -11.746) 18.945 5.343 ( 2.947 -11.142 2.387) 11.769 5.851 ( -3.509 -3.345 -4.284) 6.470 6.185 ( 1.874 2.144 -4.128) 5.015 6.340 ( -4.486 -2.540 -9.714) 10.997 6.882 ( -17.292 5.173 14.450) 23.120 6.997 ( -3.814 3.209 4.518) 6.727 7.194 ( -1.106 -5.393 12.733) 13.873 7.963 ( -5.518 0.758 0.329) 5.580 8.589 ( 2.970 -11.775 2.629) 12.425 9.025 ( -6.271 2.801 4.880) 8.425 9.392 ( -3.233 -7.603 0.458) 8.274 9.812 ( -4.324 4.656 -11.002) 12.706 11.170 ( 16.185 -2.158 4.513) 16.940 11.401 ( 1.643 31.594 1.180) 31.658 12.234 ( -1.919 4.785 1.160) 5.284 12.319 ( -3.708 4.243 6.996) 8.984 12.840 ( -0.662 -16.005 4.800) 16.723 13.163 ( 14.431 -0.193 4.297) 15.059 13.318 ( -6.431 1.523 -10.636) 12.522 14.656 ( 12.497 -9.836 7.561) 17.609 17.533 ( -5.501 -2.321 -19.886) 20.763 18.554 ( 4.149 -5.184 11.370) 13.167 19.275 ( 14.330 6.611 0.353) 15.786 19.607 ( 14.174 -1.952 -0.117) 14.308 21.513 ( -3.110 12.372 -11.641) 17.270 22.300 ( -14.300 -14.043 1.076) 20.071 23.656 ( 5.868 -1.766 3.650) 7.133 23.981 ( 0.988 4.321 5.387) 6.976 ======================= Grid point 153 (62/432) ======================= q-point: (-0.45 0.18 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( -10.727 25.772 -6.609) 28.687 2.559 ( -23.486 13.224 -12.207) 29.588 3.657 ( -13.025 -3.628 0.116) 13.522 3.962 ( -5.613 -3.854 3.271) 7.553 4.002 ( -12.508 -1.866 -9.347) 15.726 4.195 ( -10.481 11.335 -1.895) 15.553 4.714 ( -3.011 -5.878 -3.223) 7.349 4.963 ( -4.922 -8.468 11.344) 14.988 5.510 ( -0.467 -16.245 1.962) 16.370 5.747 ( -5.051 -1.713 -7.080) 8.864 6.196 ( -4.692 -11.537 -4.915) 13.389 6.238 ( 5.923 5.640 -1.007) 8.241 6.704 ( -20.440 4.931 6.939) 22.142 6.979 ( -3.180 -0.785 2.273) 3.987 7.327 ( -5.722 -3.801 9.789) 11.959 7.931 ( -1.388 0.804 3.212) 3.590 8.689 ( 2.878 -10.536 -6.198) 12.558 8.996 ( -4.999 0.795 5.928) 7.795 9.459 ( -2.718 -10.810 2.098) 11.342 9.639 ( -1.116 2.521 -6.618) 7.169 11.132 ( -0.787 30.364 -1.569) 30.415 11.402 ( 10.275 2.291 3.305) 11.034 12.142 ( -6.160 9.311 2.764) 11.501 12.283 ( -5.064 3.252 3.786) 7.110 12.996 ( 0.380 -5.781 -6.878) 8.993 13.054 ( -3.559 -4.491 -1.643) 5.961 13.543 ( 16.537 -1.444 12.698) 20.899 14.977 ( 12.806 -12.558 3.311) 18.239 17.251 ( -4.798 -1.796 -20.426) 21.059 18.825 ( 9.399 -2.232 13.751) 16.805 19.424 ( 17.655 9.088 -0.384) 19.860 19.817 ( 14.164 -1.576 2.443) 14.460 21.222 ( -4.659 8.580 -14.718) 17.662 22.195 ( -21.959 -13.674 1.588) 25.917 23.759 ( 3.491 0.099 1.938) 3.994 24.052 ( 2.067 2.551 9.201) 9.769 ======================= Grid point 154 (63/432) ======================= q-point: (-0.36 0.18 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -10.209 27.765 1.003) 29.599 1.945 ( -25.399 19.665 -13.431) 34.817 3.277 ( -22.012 36.315 2.389) 42.533 3.878 ( -7.323 -13.046 0.399) 14.966 3.978 ( -4.761 -13.514 2.605) 14.563 4.105 ( -3.337 -2.397 1.025) 4.235 4.718 ( -4.394 -8.413 3.442) 10.096 5.122 ( -2.793 -3.741 12.378) 13.229 5.562 ( -12.228 -12.976 -4.062) 18.287 5.689 ( 1.292 -10.406 -2.411) 10.759 6.146 ( -5.492 -6.074 -1.589) 8.342 6.301 ( -3.627 -1.421 3.807) 5.447 6.526 ( -5.689 0.011 1.339) 5.845 6.979 ( -1.128 -2.220 0.018) 2.490 7.309 ( -11.806 1.121 5.449) 13.051 7.976 ( 2.957 0.266 2.574) 3.929 8.738 ( 5.529 -9.598 -8.187) 13.774 9.040 ( -2.636 -3.896 8.940) 10.102 9.492 ( -3.713 -6.616 -1.254) 7.689 9.609 ( -2.159 -7.041 -0.579) 7.388 10.816 ( -3.423 31.480 -3.581) 31.868 11.497 ( 5.024 5.992 2.401) 8.180 11.999 ( -7.284 12.474 3.815) 14.940 12.233 ( -3.730 1.720 1.206) 4.281 12.840 ( -1.427 3.014 -6.950) 7.708 13.190 ( 0.975 -11.910 2.290) 12.168 13.895 ( 14.482 -1.653 9.410) 17.350 15.258 ( 11.884 -14.615 -2.708) 19.031 17.001 ( -3.064 0.969 -12.589) 12.992 19.116 ( 13.734 2.476 10.185) 17.277 19.547 ( 15.655 8.750 -3.713) 18.315 20.044 ( 13.428 2.989 5.426) 14.788 20.933 ( -4.066 4.018 -15.336) 16.367 22.006 ( -28.947 -14.232 3.649) 32.462 23.794 ( 2.129 1.930 0.108) 2.876 24.187 ( 0.612 -1.231 10.551) 10.640 ======================= Grid point 155 (64/432) ======================= q-point: (-0.27 0.18 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -13.193 27.049 2.758) 30.221 1.465 ( -6.829 29.120 10.317) 31.639 2.724 ( -18.715 45.955 10.132) 50.644 3.926 ( -3.146 -11.995 1.878) 12.542 4.106 ( -3.852 -0.894 3.878) 5.539 4.139 ( -3.143 -20.316 8.314) 22.175 4.801 ( -2.054 -8.953 4.207) 10.103 5.214 ( -12.147 -2.352 15.545) 19.868 5.425 ( -14.302 -9.632 -3.381) 17.572 5.805 ( 1.268 -15.787 -0.646) 15.851 6.119 ( -3.989 -3.646 0.273) 5.411 6.265 ( -7.215 -5.243 2.092) 9.161 6.594 ( 7.325 -2.118 2.245) 7.948 6.974 ( 0.617 -0.796 -3.118) 3.277 7.182 ( -12.401 3.817 7.090) 14.786 8.030 ( 2.408 0.181 -0.562) 2.479 8.811 ( 8.841 -7.670 -8.903) 14.706 9.186 ( -0.666 -12.121 5.949) 13.519 9.480 ( -6.361 -10.109 -0.711) 11.965 9.618 ( -4.597 -4.071 1.747) 6.384 10.466 ( -2.005 32.840 -2.372) 32.986 11.514 ( 1.542 8.923 5.385) 10.535 11.842 ( -6.502 14.398 4.406) 16.401 12.186 ( -1.871 1.131 -0.992) 2.401 12.776 ( 1.249 2.170 -0.850) 2.644 13.295 ( 0.017 -10.047 -1.389) 10.143 14.082 ( 6.924 -0.433 -7.318) 10.083 15.433 ( 8.724 -13.929 -12.593) 20.705 16.980 ( 3.014 -2.338 14.493) 14.987 19.346 ( 10.061 2.388 3.865) 11.040 19.599 ( 16.759 8.412 -9.174) 20.875 20.176 ( 4.211 9.920 4.039) 11.509 20.751 ( 3.330 -1.275 -11.861) 12.385 21.803 ( -30.972 -13.774 11.151) 35.684 23.798 ( 1.367 2.028 -0.186) 2.453 24.272 ( -5.315 -3.031 3.310) 6.956 ======================= Grid point 156 (65/432) ======================= q-point: (-0.18 0.18 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 12.075 24.790 20.811) 34.547 1.372 ( 4.457 26.973 21.505) 34.784 2.343 ( -10.574 43.345 27.642) 52.485 4.025 ( 1.625 -8.530 0.897) 8.730 4.106 ( -5.705 -2.121 6.101) 8.618 4.416 ( -1.849 -20.010 14.976) 25.061 4.892 ( 3.012 -9.720 -2.692) 10.526 5.145 ( -28.520 -9.559 15.589) 33.879 5.418 ( 4.595 1.858 6.523) 8.192 5.901 ( -4.384 -13.736 -2.552) 14.642 6.067 ( -7.345 -4.945 -5.166) 10.251 6.301 ( 3.565 -1.678 2.866) 4.873 6.758 ( 1.430 -6.728 7.534) 10.202 6.938 ( -0.753 1.157 -1.432) 1.989 7.155 ( -0.911 1.269 8.707) 8.846 7.986 ( -4.276 1.773 -5.136) 6.914 8.799 ( 2.772 1.232 -15.307) 15.605 9.290 ( -4.139 -15.376 3.564) 16.318 9.554 ( -0.925 -13.307 0.391) 13.344 9.607 ( 1.171 5.289 0.846) 5.483 10.248 ( 7.110 23.821 4.459) 25.256 11.520 ( 0.914 11.109 5.524) 12.441 11.721 ( -6.218 10.278 9.739) 15.464 12.140 ( 0.049 1.145 -3.443) 3.628 12.799 ( 3.423 2.651 2.164) 4.840 13.317 ( -1.434 -7.011 -6.214) 9.478 13.861 ( -3.389 12.278 -22.239) 25.629 15.429 ( 2.297 -9.943 -16.625) 19.507 17.472 ( 8.089 -22.305 33.016) 40.657 19.319 ( -10.698 -4.790 -8.129) 14.264 19.707 ( 18.155 7.413 -5.011) 20.241 20.087 ( -5.161 7.654 -2.153) 9.479 20.741 ( 6.871 0.600 -3.628) 7.794 21.782 ( -12.083 -11.474 19.097) 25.345 23.797 ( 0.801 1.230 0.109) 1.472 24.098 ( -14.112 6.295 -10.451) 18.655 ======================= Grid point 157 (66/432) ======================= q-point: (-0.09 0.18 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 8.346 26.398 17.583) 32.797 1.636 ( 6.976 21.403 27.982) 35.913 2.549 ( 20.237 22.192 45.926) 54.875 4.099 ( -4.900 -2.562 7.347) 9.195 4.133 ( -2.649 -6.093 1.258) 6.762 4.733 ( -0.791 -16.759 15.840) 23.074 4.972 ( 5.597 -11.414 -9.660) 15.966 5.167 ( -10.880 -7.188 22.672) 26.154 5.512 ( 3.689 5.869 0.596) 6.957 5.900 ( -0.299 1.438 -11.949) 12.039 5.933 ( -8.827 -14.433 0.899) 16.942 6.367 ( 0.950 1.732 2.293) 3.027 6.844 ( -10.789 -7.027 9.462) 15.979 6.915 ( -3.357 -0.906 1.803) 3.917 7.330 ( 10.386 -2.389 4.601) 11.608 7.777 ( -7.886 5.279 -8.594) 12.803 8.631 ( -0.637 9.429 -2.602) 9.802 9.449 ( 0.338 10.457 -3.031) 10.893 9.472 ( -1.416 -10.807 3.484) 11.443 9.645 ( -0.594 -5.388 -1.631) 5.661 10.385 ( 19.382 -1.435 0.486) 19.441 11.419 ( 0.689 18.362 -1.929) 18.476 11.782 ( -6.413 -5.158 16.040) 18.028 12.093 ( 2.552 1.141 -5.487) 6.158 12.824 ( 4.675 8.632 -2.759) 10.197 13.230 ( -1.119 1.962 -5.707) 6.138 13.508 ( -5.181 9.201 -7.227) 12.796 15.291 ( -4.060 -6.985 -17.848) 19.592 18.077 ( 3.941 -25.595 18.922) 32.073 19.050 ( -19.219 -7.017 -10.702) 23.089 19.650 ( -14.198 10.743 1.882) 17.903 19.929 ( -6.314 1.861 -4.201) 7.809 20.884 ( 15.151 -2.472 2.658) 15.580 22.087 ( 12.118 -13.279 10.161) 20.650 23.645 ( -11.068 19.054 -12.276) 25.224 23.816 ( 0.844 1.086 0.609) 1.505 ======================= Grid point 161 (67/432) ======================= q-point: ( 0.27 0.27 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( -4.299 -0.000 5.077) 6.653 3.200 ( -0.291 -0.000 0.760) 0.814 3.854 ( -6.998 -0.000 0.928) 7.059 3.871 ( -3.106 -0.000 5.761) 6.545 4.135 ( -13.534 -0.000 -15.425) 20.521 4.585 ( -8.630 -0.000 -6.575) 10.850 4.779 ( 1.297 0.000 -1.566) 2.034 4.999 ( 3.346 0.000 -0.701) 3.419 5.566 ( -0.965 -0.000 -12.529) 12.566 5.867 ( -11.236 -0.000 -2.823) 11.585 6.363 ( -8.004 -0.000 -3.582) 8.769 6.397 ( 3.606 0.000 -12.521) 13.030 6.894 ( -14.311 -0.000 28.171) 31.598 7.008 ( 3.249 0.000 6.019) 6.840 7.108 ( -6.761 -0.000 5.065) 8.447 8.051 ( -2.991 -0.000 -3.895) 4.910 8.241 ( 0.258 0.000 17.746) 17.748 9.104 ( -7.236 -0.000 6.229) 9.548 9.416 ( -9.373 -0.000 -6.148) 11.210 10.088 ( -5.388 -0.000 -11.484) 12.685 10.783 ( 23.367 0.000 8.516) 24.871 11.981 ( 8.861 0.000 -4.920) 10.135 12.181 ( 12.828 0.000 8.431) 15.350 12.276 ( 0.963 0.000 -0.082) 0.966 12.440 ( -10.935 -0.000 13.036) 17.015 13.016 ( 0.737 0.000 1.628) 1.787 13.605 ( -5.657 -0.000 -17.102) 18.013 14.273 ( 9.234 0.000 10.279) 13.818 17.798 ( -6.786 -0.000 -16.916) 18.226 18.346 ( -1.097 -0.000 6.230) 6.326 19.241 ( 4.885 0.000 -1.247) 5.042 19.383 ( 17.742 0.000 -2.665) 17.941 22.033 ( 0.901 0.000 -21.974) 21.992 22.048 ( -9.092 -0.000 13.796) 16.523 23.493 ( 7.629 0.000 3.642) 8.453 23.985 ( 0.078 0.000 3.581) 3.582 ======================= Grid point 162 (68/432) ======================= q-point: (-0.64 0.27 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( -9.265 15.471 -9.009) 20.158 3.067 ( -14.709 -3.763 -7.803) 17.071 3.748 ( -12.053 0.637 -6.574) 13.744 3.834 ( -11.841 -9.356 -6.166) 16.302 3.999 ( 0.629 1.133 9.943) 10.027 4.506 ( -7.321 -3.462 8.087) 11.445 4.732 ( -1.593 4.272 -1.033) 4.675 4.985 ( -4.562 -7.730 -8.616) 12.442 5.376 ( -0.898 11.584 -6.529) 13.327 5.729 ( -6.052 -9.966 -7.067) 13.634 6.186 ( -10.313 -0.936 -5.610) 11.778 6.329 ( 4.823 0.657 -8.920) 10.161 6.943 ( -20.379 1.692 19.486) 28.247 7.031 ( -8.496 0.909 1.745) 8.721 7.148 ( 2.736 -0.698 10.669) 11.037 7.978 ( -2.048 0.746 -3.759) 4.346 8.433 ( 0.400 -5.524 9.750) 11.213 9.071 ( -6.888 2.228 5.253) 8.944 9.277 ( -6.243 -4.808 -2.282) 8.203 9.880 ( -3.743 2.514 -11.950) 12.772 11.144 ( 18.148 -0.842 6.253) 19.214 11.917 ( 5.482 27.064 -0.513) 27.618 12.270 ( -1.036 0.771 -0.183) 1.305 12.374 ( -0.014 -0.361 7.014) 7.023 12.532 ( -6.099 -17.778 8.030) 20.438 13.161 ( 13.287 -0.062 8.050) 15.536 13.333 ( -6.337 0.341 -15.224) 16.494 14.531 ( 11.917 -4.260 6.646) 14.295 17.509 ( -6.287 -0.696 -18.747) 19.785 18.497 ( 5.967 -1.708 12.822) 14.246 19.361 ( 13.781 3.164 2.898) 14.433 19.575 ( 16.586 -1.513 -3.856) 17.095 21.714 ( -3.450 10.212 -18.374) 21.302 22.083 ( -14.269 -10.562 6.191) 18.801 23.635 ( 5.993 -0.668 4.890) 7.763 24.029 ( 0.964 1.457 4.124) 4.479 ======================= Grid point 163 (69/432) ======================= q-point: (-0.55 0.27 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( -9.554 19.512 -7.485) 22.979 2.735 ( -17.946 7.617 -10.070) 21.942 3.526 ( -11.939 -7.218 -3.436) 14.368 3.730 ( -12.973 -16.053 -4.562) 21.138 3.992 ( -9.376 0.532 -1.100) 9.455 4.504 ( -8.318 8.477 11.199) 16.324 4.706 ( -0.451 8.238 -10.707) 13.517 4.850 ( -2.529 -4.210 7.981) 9.371 5.311 ( -1.395 -4.267 1.350) 4.688 5.677 ( -2.963 -8.507 -9.119) 12.818 6.003 ( -10.812 -9.673 -7.292) 16.237 6.324 ( 7.283 4.081 -2.468) 8.705 6.784 ( -25.332 3.850 10.043) 27.521 6.947 ( -6.173 -2.331 -0.212) 6.602 7.301 ( -0.285 0.446 11.359) 11.371 7.917 ( -2.149 -2.363 -1.973) 3.755 8.549 ( 1.088 -5.338 1.404) 5.626 9.018 ( -6.073 1.915 4.068) 7.556 9.273 ( -4.324 -9.907 0.871) 10.844 9.699 ( -0.915 3.480 -9.037) 9.727 11.399 ( 12.424 1.221 3.353) 12.926 11.710 ( 1.952 33.038 1.042) 33.112 12.230 ( -2.799 2.077 -0.393) 3.508 12.357 ( -8.042 4.607 5.906) 10.990 12.732 ( -0.175 -20.649 3.740) 20.985 13.080 ( -4.560 2.075 -12.336) 13.314 13.508 ( 16.460 -2.119 12.125) 20.553 14.790 ( 11.999 -8.866 1.697) 15.015 17.233 ( -5.161 -0.536 -16.996) 17.771 18.796 ( 11.351 -1.203 16.211) 19.827 19.567 ( 18.705 7.836 0.933) 20.301 19.774 ( 16.392 -3.667 -0.045) 16.797 21.363 ( -6.001 7.765 -19.065) 21.442 21.996 ( -20.487 -9.807 3.536) 22.987 23.757 ( 3.181 -0.195 4.804) 5.765 24.086 ( 1.968 1.430 4.990) 5.551 ======================= Grid point 164 (70/432) ======================= q-point: (-0.45 0.27 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( -9.928 22.317 -2.413) 24.544 2.277 ( -16.554 20.009 -7.503) 27.031 3.510 ( -6.849 -10.776 5.811) 14.028 3.677 ( -10.318 -18.133 -2.600) 21.024 3.764 ( -16.575 2.426 -3.274) 17.069 4.354 ( 0.169 27.140 0.485) 27.145 4.584 ( -4.040 -6.735 2.306) 8.185 5.050 ( -0.499 -4.927 15.205) 15.991 5.343 ( -7.941 -11.919 -2.110) 14.477 5.556 ( -3.240 -5.721 -9.752) 11.761 5.959 ( -4.035 -14.260 -2.429) 15.018 6.353 ( -4.065 5.050 4.538) 7.913 6.537 ( -12.291 0.707 1.069) 12.358 6.909 ( -3.109 -5.113 -1.319) 6.128 7.353 ( -6.007 4.283 7.690) 10.657 7.930 ( 0.783 -6.043 -0.787) 6.145 8.613 ( 3.362 -4.450 -0.948) 5.658 8.989 ( -4.741 -1.875 3.668) 6.280 9.305 ( -6.293 -11.409 -0.285) 13.032 9.608 ( 1.716 2.582 -3.239) 4.484 11.390 ( 2.368 32.963 -2.564) 33.147 11.584 ( 4.533 6.905 4.949) 9.629 12.155 ( -3.925 5.279 0.343) 6.587 12.273 ( -7.114 3.802 3.809) 8.920 12.879 ( 0.625 -2.086 -6.756) 7.099 12.955 ( -1.589 -13.116 1.161) 13.263 13.848 ( 12.321 -3.174 9.055) 15.616 15.019 ( 10.697 -12.998 -3.621) 17.219 17.017 ( -2.743 0.896 -10.160) 10.562 19.136 ( 12.324 0.441 13.812) 18.516 19.689 ( 16.924 7.740 -7.886) 20.212 20.075 ( 18.870 0.761 8.413) 20.675 21.005 ( -7.236 4.362 -19.030) 20.821 21.813 ( -25.028 -9.171 3.462) 26.879 23.822 ( 0.764 1.299 2.908) 3.276 24.169 ( 1.387 -0.816 5.538) 5.767 ======================= Grid point 165 (71/432) ======================= q-point: (-0.36 0.27 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -8.178 26.313 4.271) 27.884 1.935 ( -5.166 26.949 7.504) 28.448 3.351 ( -12.102 25.984 0.170) 28.664 3.670 ( -5.622 -17.406 2.146) 18.417 3.793 ( -4.610 -20.653 9.870) 23.350 4.208 ( 0.323 13.954 3.155) 14.310 4.656 ( -2.118 -7.611 4.717) 9.201 5.159 ( -18.153 -3.839 7.249) 19.920 5.269 ( -0.053 -9.465 -1.183) 9.539 5.564 ( 1.008 -12.327 -2.563) 12.631 6.032 ( 0.365 -8.137 1.285) 8.246 6.210 ( -14.498 -0.563 5.436) 15.494 6.558 ( 5.888 -2.215 0.100) 6.292 6.915 ( -0.256 -5.635 -2.208) 6.058 7.273 ( -8.381 7.079 5.105) 12.101 7.989 ( 1.669 -5.567 -1.887) 6.110 8.703 ( 5.270 -4.562 0.293) 6.976 9.011 ( -3.200 -8.330 0.620) 8.945 9.286 ( -7.510 -10.361 -1.751) 12.916 9.622 ( 2.168 1.725 3.615) 4.554 11.071 ( 0.688 38.112 -2.384) 38.193 11.632 ( 1.150 5.555 5.127) 7.647 12.053 ( -4.036 9.648 1.952) 10.639 12.207 ( -3.617 1.882 0.825) 4.160 12.823 ( 2.098 3.139 -1.299) 3.993 13.087 ( -0.395 -15.156 -1.075) 15.200 14.041 ( 4.009 -3.570 -0.857) 5.436 15.184 ( 8.095 -14.989 -10.212) 19.862 16.965 ( 2.003 -0.003 5.159) 5.534 19.355 ( 2.467 -0.314 3.726) 4.480 19.734 ( 18.987 7.153 -11.340) 23.244 20.341 ( 7.737 9.398 6.300) 13.707 20.730 ( 1.686 -1.157 -13.310) 13.466 21.628 ( -22.621 -8.113 8.580) 25.517 23.832 ( -0.390 1.921 1.286) 2.344 24.230 ( -2.347 -2.199 2.069) 3.825 ======================= Grid point 166 (72/432) ======================= q-point: (-0.27 0.27 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 10.405 25.057 16.608) 31.811 1.832 ( 1.860 27.579 18.483) 33.252 3.009 ( -6.237 33.665 9.419) 35.510 3.810 ( 0.665 -15.060 3.243) 15.420 4.077 ( -1.682 -18.383 15.632) 24.190 4.162 ( -3.944 5.547 7.229) 9.929 4.737 ( 2.743 -8.585 -3.501) 9.669 4.998 ( -20.981 -8.061 7.962) 23.845 5.385 ( 1.475 -5.695 5.707) 8.196 5.676 ( 2.571 -11.658 -1.596) 12.045 6.041 ( -1.922 0.781 -3.401) 3.984 6.241 ( -0.174 -6.493 8.934) 11.045 6.653 ( 1.084 -5.531 2.088) 6.010 6.931 ( 0.884 -2.718 -2.415) 3.742 7.196 ( -3.668 4.725 6.280) 8.673 7.985 ( -2.457 -2.179 -4.982) 5.967 8.793 ( 5.070 -0.771 -4.856) 7.063 9.038 ( -5.490 -14.160 1.702) 15.282 9.324 ( 1.964 -12.132 0.015) 12.290 9.684 ( 0.013 3.294 6.411) 7.208 10.756 ( 2.140 35.366 -0.675) 35.437 11.646 ( -2.345 5.339 6.820) 8.973 11.941 ( -2.873 12.922 3.156) 13.609 12.160 ( -0.704 1.471 -2.004) 2.583 12.854 ( 4.721 3.790 3.472) 6.979 13.158 ( -1.144 -11.962 -4.420) 12.804 13.961 ( -5.295 1.357 -12.672) 13.801 15.229 ( 3.731 -13.426 -16.039) 21.247 17.221 ( 6.851 -9.338 21.755) 24.646 19.253 ( -11.106 -3.219 -11.325) 16.185 19.816 ( 13.722 5.734 -5.628) 15.901 20.195 ( -8.971 4.904 -8.599) 13.360 20.797 ( 11.313 5.920 2.465) 13.004 21.637 ( -4.313 -7.172 14.450) 16.699 23.819 ( -0.920 1.260 0.525) 1.646 24.154 ( -7.754 1.398 -5.480) 9.597 ======================= Grid point 167 (73/432) ======================= q-point: (-0.18 0.27 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 7.729 26.387 17.659) 32.678 1.993 ( 14.164 21.063 18.852) 31.617 2.981 ( 10.841 26.694 29.456) 41.204 3.967 ( 2.585 -10.273 0.292) 10.597 4.122 ( -8.694 2.622 9.707) 13.293 4.439 ( -0.201 -18.013 18.745) 25.998 4.780 ( 5.149 -11.047 -11.853) 17.001 5.028 ( -9.477 -8.784 20.753) 24.448 5.518 ( 2.035 -6.698 1.803) 7.229 5.743 ( -0.383 -6.264 -2.559) 6.778 5.956 ( 3.455 4.965 -6.168) 8.639 6.392 ( 2.497 -0.807 6.787) 7.277 6.713 ( -7.506 -7.851 5.962) 12.390 6.917 ( -1.582 0.312 -1.189) 2.003 7.271 ( 4.963 -3.192 5.223) 7.880 7.838 ( -7.204 2.157 -8.604) 11.428 8.735 ( 2.024 3.961 -5.593) 7.146 9.203 ( -0.262 -17.059 6.839) 18.380 9.486 ( 5.467 -12.427 -1.666) 13.678 9.666 ( -2.448 10.465 2.774) 11.099 10.566 ( 6.283 22.471 1.315) 23.370 11.625 ( -5.069 5.089 4.077) 8.259 11.848 ( -3.011 12.165 6.143) 13.957 12.115 ( 2.158 1.479 -5.132) 5.761 12.935 ( 6.509 5.213 2.168) 8.617 13.171 ( -0.692 -6.980 -3.122) 7.678 13.663 ( -9.496 6.825 -12.190) 16.892 15.143 ( -1.569 -10.650 -18.884) 21.737 17.704 ( 6.165 -18.204 23.159) 30.096 18.947 ( -15.438 -5.369 -15.189) 22.313 19.785 ( -8.266 5.655 1.372) 10.109 19.958 ( -7.921 1.579 -8.646) 11.832 20.921 ( 13.401 6.759 2.783) 15.265 21.926 ( 13.139 -7.458 11.355) 18.899 23.792 ( -2.957 1.103 -2.100) 3.791 23.907 ( -7.202 8.451 -8.055) 13.718 ======================= Grid point 168 (74/432) ======================= q-point: (-0.09 0.27 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 11.225 24.786 14.398) 30.784 2.207 ( 6.359 20.108 27.889) 34.965 3.455 ( 26.659 9.922 28.704) 40.411 4.046 ( 0.790 -7.347 -2.705) 7.869 4.132 ( -7.273 0.638 15.260) 16.917 4.713 ( -1.246 -16.905 -4.168) 17.456 4.868 ( 5.901 -10.203 6.761) 13.588 5.298 ( -0.474 -6.294 18.688) 19.725 5.521 ( -3.995 -3.203 -2.178) 5.564 5.721 ( 1.057 0.211 -2.922) 3.114 5.968 ( 9.567 4.116 -3.826) 11.096 6.458 ( -0.020 5.557 6.362) 8.447 6.743 ( -9.949 -7.290 8.150) 14.783 6.866 ( -5.269 -1.062 1.187) 5.504 7.414 ( 3.075 -7.390 -1.575) 8.158 7.635 ( -2.542 4.238 -7.175) 8.712 8.696 ( 0.247 5.476 2.239) 5.921 9.347 ( -4.996 -9.387 -3.109) 11.079 9.551 ( 0.623 -0.798 4.210) 4.330 9.630 ( 3.632 5.565 2.987) 7.286 10.568 ( 9.667 4.034 -1.750) 10.620 11.511 ( -3.190 9.366 -2.497) 10.205 11.805 ( -6.416 2.222 6.916) 9.692 12.094 ( 5.890 0.875 -5.245) 7.935 12.919 ( 3.343 8.940 -5.426) 10.980 13.240 ( 2.614 -1.586 4.657) 5.571 13.411 ( -7.292 3.818 -1.905) 8.448 14.942 ( -6.219 -7.555 -20.190) 22.437 18.126 ( 0.294 -17.232 14.739) 22.677 18.666 ( -7.999 -6.392 -12.888) 16.461 19.552 ( -20.578 13.129 4.229) 24.773 19.757 ( -8.379 -1.910 -7.381) 11.329 21.116 ( 14.847 -0.424 3.447) 15.248 22.272 ( 16.429 -6.488 2.635) 17.859 23.556 ( -4.812 12.707 -9.142) 16.377 23.833 ( -0.240 -0.272 0.936) 1.003 ======================= Grid point 173 (75/432) ======================= q-point: ( 0.36 -0.64 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( -10.663 -0.000 -11.410) 15.617 2.794 ( -12.411 -0.000 -4.132) 13.081 3.475 ( -14.687 -0.000 -5.982) 15.859 3.558 ( -14.003 -0.000 -5.529) 15.055 3.999 ( -9.906 -0.000 -0.787) 9.938 4.533 ( -8.007 -0.000 11.340) 13.882 4.796 ( 1.782 0.000 8.440) 8.626 4.818 ( 0.742 0.000 -6.549) 6.591 5.438 ( 2.505 0.000 0.777) 2.623 5.453 ( -7.656 -0.000 -11.551) 13.858 5.925 ( -13.855 -0.000 -9.353) 16.716 6.360 ( 7.951 0.000 -3.191) 8.568 6.817 ( -27.920 -0.000 12.278) 30.501 6.924 ( -7.468 -0.000 -0.911) 7.524 7.313 ( 2.965 0.000 11.273) 11.657 7.887 ( -3.448 -0.000 -5.835) 6.778 8.508 ( 0.632 0.000 5.981) 6.015 9.048 ( -6.729 -0.000 3.597) 7.630 9.173 ( -3.619 -0.000 -0.349) 3.636 9.731 ( -1.334 -0.000 -9.526) 9.619 11.406 ( 13.010 0.000 4.495) 13.764 12.129 ( 7.402 0.000 -4.282) 8.551 12.257 ( -3.914 -0.000 2.923) 4.885 12.370 ( -2.406 -0.000 1.607) 2.893 12.442 ( -9.911 -0.000 9.636) 13.823 13.098 ( -4.537 -0.000 -12.662) 13.450 13.488 ( 16.591 0.000 11.975) 20.461 14.712 ( 11.759 0.000 1.180) 11.818 17.229 ( -5.199 -0.000 -15.975) 16.800 18.786 ( 11.933 0.000 16.973) 20.748 19.664 ( 20.024 0.000 8.549) 21.773 19.712 ( 16.110 0.000 -7.917) 17.950 21.440 ( -6.031 -0.000 -23.676) 24.432 21.903 ( -20.264 -0.000 7.223) 21.512 23.755 ( 3.121 0.000 5.752) 6.544 24.098 ( 1.845 0.000 3.695) 4.130 ======================= Grid point 175 (76/432) ======================= q-point: (-0.55 0.36 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( -8.821 10.110 -4.351) 14.105 2.570 ( -9.783 12.247 -2.162) 15.824 3.314 ( -9.424 -7.387 2.149) 12.165 3.394 ( -12.395 -12.947 -1.373) 17.976 3.800 ( -12.580 0.879 -4.405) 13.358 4.509 ( -2.609 -2.021 -2.210) 3.972 4.771 ( -2.164 16.424 5.778) 17.545 4.969 ( 2.079 -3.677 12.155) 12.868 5.228 ( -6.673 -0.737 -4.403) 8.028 5.479 ( -2.400 -4.106 -9.238) 10.390 5.729 ( -6.595 -10.347 0.092) 12.270 6.427 ( 3.451 3.054 0.677) 4.658 6.539 ( -24.816 -0.393 3.942) 25.130 6.841 ( -3.859 -2.410 -2.085) 5.005 7.439 ( -0.344 4.680 8.754) 9.933 7.807 ( -2.570 -6.479 -3.733) 7.907 8.579 ( 2.164 -0.485 3.209) 3.901 8.983 ( -6.376 0.678 1.447) 6.573 9.160 ( -2.844 -5.299 -0.361) 6.024 9.644 ( 0.927 1.261 -3.880) 4.184 11.580 ( 7.838 1.391 3.191) 8.576 12.004 ( 2.409 29.175 -1.313) 29.303 12.199 ( -3.370 2.496 -0.362) 4.209 12.335 ( -8.159 1.864 4.596) 9.548 12.575 ( -1.238 -23.510 2.650) 23.691 12.938 ( -1.437 1.047 -7.299) 7.513 13.807 ( 11.649 -1.382 9.034) 14.806 14.861 ( 10.268 -5.225 -3.945) 12.178 17.028 ( -2.540 0.353 -9.318) 9.664 19.139 ( 11.837 0.047 15.093) 19.181 19.787 ( 16.121 3.396 -11.695) 20.204 20.075 ( 22.677 -0.413 12.243) 25.774 21.064 ( -8.795 2.162 -22.651) 24.395 21.705 ( -22.948 -3.537 5.090) 23.770 23.836 ( -0.011 0.450 4.912) 4.932 24.160 ( 1.752 -0.277 2.763) 3.284 ======================= Grid point 176 (77/432) ======================= q-point: (-0.45 0.36 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( -4.493 21.734 6.761) 23.201 2.339 ( -4.687 20.359 5.112) 21.508 3.375 ( -5.516 -16.559 4.039) 17.915 3.422 ( -7.119 -16.581 3.174) 18.321 3.627 ( -5.995 3.795 3.916) 8.104 4.449 ( 1.085 4.539 -6.986) 8.401 4.649 ( -4.401 12.535 7.190) 15.106 5.053 ( -7.988 -9.252 -10.229) 15.939 5.177 ( -4.934 1.038 13.832) 14.722 5.414 ( 2.219 -5.897 -1.223) 6.419 5.854 ( -0.127 -12.195 6.536) 13.837 6.228 ( -17.844 1.888 3.039) 18.199 6.518 ( 3.869 -2.477 -1.668) 4.888 6.824 ( 0.047 -4.324 -1.469) 4.566 7.413 ( -4.768 9.414 4.697) 11.551 7.848 ( 0.623 -10.549 -1.515) 10.675 8.655 ( 2.407 -1.686 3.593) 4.642 8.922 ( -4.586 -2.561 -1.030) 5.353 9.154 ( -3.013 -5.413 -1.677) 6.418 9.649 ( 1.963 1.316 3.148) 3.936 11.632 ( 4.268 15.775 -1.115) 16.381 11.764 ( -1.447 22.735 2.961) 22.973 12.136 ( -1.513 1.613 -1.990) 2.975 12.267 ( -6.346 4.255 4.880) 9.066 12.764 ( 0.107 -20.666 -1.590) 20.728 12.885 ( 1.434 0.958 -0.216) 1.738 13.985 ( 2.921 -2.649 1.542) 4.234 14.969 ( 7.812 -9.792 -8.916) 15.375 16.969 ( 1.870 0.358 1.487) 2.416 19.349 ( 0.643 -0.334 2.970) 3.057 19.828 ( 18.403 3.941 -12.928) 22.832 20.472 ( 12.037 5.894 9.090) 16.195 20.714 ( -0.829 -0.681 -14.865) 14.903 21.523 ( -19.207 -4.431 7.720) 21.170 23.858 ( -2.027 1.207 2.773) 3.641 24.200 ( -0.450 -1.298 0.688) 1.536 ======================= Grid point 177 (78/432) ======================= q-point: (-0.36 0.36 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 5.959 23.304 11.629) 26.718 2.269 ( 1.580 24.302 18.931) 30.846 3.352 ( -4.989 4.375 -1.448) 6.792 3.557 ( 1.533 -14.453 7.264) 16.248 3.798 ( 0.710 -11.372 18.558) 21.777 4.315 ( -5.074 9.185 0.433) 10.502 4.628 ( 2.429 -3.553 -4.978) 6.581 4.893 ( -10.715 -4.477 -0.427) 11.620 5.271 ( -4.071 -4.298 8.424) 10.296 5.543 ( 6.924 -4.674 3.170) 8.936 6.036 ( 3.127 -8.255 4.764) 10.031 6.117 ( -6.415 -1.605 5.792) 8.791 6.564 ( 1.829 -5.670 -2.245) 6.367 6.867 ( 1.387 -3.777 0.406) 4.044 7.315 ( -4.519 9.079 3.980) 10.895 7.908 ( -0.058 -7.018 -3.517) 7.850 8.759 ( 1.263 -5.512 5.677) 8.012 8.867 ( -3.482 -3.834 -4.977) 7.182 9.168 ( 1.201 -6.558 -0.542) 6.689 9.726 ( 1.010 1.818 7.974) 8.240 11.369 ( 1.577 36.770 -3.467) 36.966 11.716 ( -3.958 3.467 5.213) 7.407 12.085 ( 0.234 3.577 -1.934) 4.074 12.214 ( -3.332 5.419 3.599) 7.309 12.875 ( 1.975 -10.872 -3.319) 11.537 12.953 ( 2.313 -3.734 4.344) 6.178 13.949 ( -6.329 -1.876 -7.100) 9.695 15.010 ( 4.320 -11.981 -14.144) 19.033 17.122 ( 6.423 -3.344 13.742) 15.534 19.211 ( -11.066 -1.908 -13.624) 17.655 19.897 ( 12.697 3.973 -7.195) 15.125 20.248 ( -11.780 1.730 -15.023) 19.169 20.923 ( 15.554 8.492 10.684) 20.693 21.525 ( -3.011 -6.446 12.244) 14.161 23.837 ( -2.821 0.908 0.948) 3.111 24.163 ( -4.106 0.076 -3.577) 5.446 ======================= Grid point 178 (79/432) ======================= q-point: (-0.27 0.36 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 9.662 19.635 15.968) 27.090 2.365 ( 9.820 24.278 16.913) 31.175 3.322 ( 5.505 11.606 11.682) 17.363 3.791 ( 4.444 -10.713 5.684) 12.917 4.143 ( 0.269 -11.449 18.555) 21.804 4.213 ( -6.219 2.214 7.557) 10.035 4.622 ( 4.727 -7.443 -11.612) 14.580 4.907 ( -5.020 -4.974 14.973) 16.557 5.347 ( -3.031 -9.709 3.102) 10.633 5.701 ( 8.367 -0.680 1.056) 8.461 6.054 ( 5.754 6.345 -4.208) 9.543 6.287 ( -0.745 -11.757 11.991) 16.810 6.608 ( -1.130 -5.266 0.514) 5.410 6.907 ( 0.173 -1.427 0.002) 1.437 7.266 ( -2.008 2.951 4.219) 5.526 7.853 ( -3.506 -0.152 -7.277) 8.079 8.787 ( 0.784 1.797 -5.036) 5.404 8.923 ( -1.121 -15.191 6.404) 16.524 9.289 ( 5.661 -10.179 0.307) 11.651 9.797 ( -0.968 5.683 8.906) 10.609 11.055 ( 2.011 33.955 -2.791) 34.129 11.670 ( -8.566 1.572 3.963) 9.568 12.040 ( 1.566 7.420 0.117) 7.585 12.161 ( -0.624 5.559 -0.832) 5.655 12.930 ( 1.236 -9.963 -6.276) 11.840 13.091 ( 5.545 1.357 9.435) 11.028 13.721 ( -12.079 0.696 -10.577) 16.071 14.951 ( 0.033 -11.782 -18.467) 21.905 17.475 ( 7.746 -9.741 20.009) 23.564 18.871 ( -14.140 -3.717 -17.939) 23.142 19.851 ( -9.041 2.690 -3.039) 9.911 19.977 ( -3.034 0.635 -11.176) 11.598 21.085 ( 10.171 12.089 6.102) 16.936 21.809 ( 12.779 -7.098 12.440) 19.195 23.796 ( -3.452 -0.124 -0.655) 3.516 24.012 ( -5.692 4.399 -7.244) 10.210 ======================= Grid point 179 (80/432) ======================= q-point: (-0.18 0.36 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 8.579 25.789 13.859) 30.509 2.508 ( 11.695 15.948 17.281) 26.263 3.575 ( 14.812 3.167 15.077) 21.372 3.923 ( -0.575 -7.742 -0.625) 7.788 4.207 ( -1.070 8.195 16.807) 18.729 4.439 ( -1.976 -15.586 0.103) 15.711 4.703 ( 6.900 -8.888 8.059) 13.840 5.168 ( 4.486 -8.704 17.615) 20.153 5.398 ( -4.755 -8.628 1.031) 9.905 5.771 ( 5.312 4.553 -0.646) 7.026 6.056 ( 9.783 5.787 -4.102) 12.084 6.494 ( 1.667 -4.618 10.836) 11.897 6.622 ( -5.706 -4.283 2.995) 7.738 6.879 ( -3.532 1.523 -1.020) 3.979 7.288 ( -2.658 -6.056 -0.708) 6.652 7.704 ( -0.596 4.152 -6.886) 8.063 8.754 ( 2.167 1.796 -1.489) 3.184 9.094 ( -2.993 -17.422 1.678) 17.757 9.447 ( 3.216 -9.036 1.420) 9.696 9.816 ( 0.764 11.450 9.064) 14.624 10.816 ( 3.739 24.409 -2.430) 24.812 11.551 ( -12.612 -0.767 -0.045) 12.636 11.982 ( -1.121 13.773 2.920) 14.123 12.110 ( 5.240 1.362 -5.987) 8.072 12.937 ( 1.050 -6.505 -6.433) 9.208 13.264 ( 5.103 4.544 8.328) 10.772 13.455 ( -10.260 1.008 -3.358) 10.842 14.791 ( -3.996 -10.319 -20.661) 23.437 17.876 ( 4.300 -12.484 17.177) 21.665 18.564 ( -8.178 -5.516 -14.566) 17.592 19.649 ( -15.392 -1.115 -0.066) 15.433 19.798 ( -8.068 6.557 -6.142) 12.075 21.178 ( 11.919 7.635 0.845) 14.180 22.177 ( 15.607 -5.418 8.372) 18.521 23.698 ( -4.670 4.055 -6.467) 8.949 23.851 ( -2.231 2.985 -2.705) 4.605 ======================= Grid point 180 (81/432) ======================= q-point: (-0.09 0.36 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 8.044 20.096 9.712) 23.725 2.776 ( 9.557 16.068 26.720) 32.612 3.839 ( 7.566 -5.932 0.352) 9.621 3.939 ( -3.410 -7.680 -1.153) 8.482 4.409 ( 0.320 -5.631 1.423) 5.817 4.475 ( 7.453 -0.944 10.856) 13.202 5.005 ( 10.280 -4.219 4.723) 12.075 5.298 ( -2.001 -5.725 -4.150) 7.348 5.575 ( -2.733 -0.715 23.998) 24.164 5.824 ( 5.667 0.022 7.399) 9.320 6.071 ( 8.912 6.378 -7.059) 13.036 6.561 ( -6.675 3.983 8.420) 11.459 6.701 ( 0.752 -4.685 7.065) 8.510 6.788 ( -7.763 -0.210 0.643) 7.792 7.215 ( -7.910 -9.719 -10.187) 16.149 7.686 ( 9.711 4.020 -1.202) 10.579 8.752 ( -3.432 2.730 2.969) 5.296 9.147 ( -4.701 -12.393 -2.630) 13.513 9.519 ( -3.678 -3.121 1.306) 4.997 9.882 ( 8.119 9.913 9.605) 16.014 10.695 ( 4.676 12.292 -2.563) 13.399 11.375 ( -12.360 -5.659 -5.166) 14.543 11.877 ( 0.176 12.460 1.504) 12.552 12.138 ( 7.491 0.345 -3.520) 8.284 12.925 ( 0.801 -0.787 -3.189) 3.381 13.163 ( -10.527 -0.240 -4.120) 11.307 13.542 ( 7.610 4.776 12.872) 15.697 14.563 ( -6.594 -7.824 -19.896) 22.373 18.088 ( -6.755 -8.418 4.854) 11.835 18.503 ( 8.385 -9.073 -5.085) 13.360 19.439 ( -21.260 10.355 6.074) 24.415 19.548 ( -6.353 0.777 -9.964) 11.843 21.302 ( 10.838 -0.895 0.157) 10.876 22.457 ( 12.547 -1.360 2.707) 12.907 23.520 ( -0.329 8.583 -6.876) 11.003 23.821 ( -1.473 -2.071 0.502) 2.591 ======================= Grid point 186 (82/432) ======================= q-point: ( 0.45 -0.55 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( -1.868 -0.000 10.829) 10.989 2.532 ( -4.689 -0.000 1.045) 4.804 3.222 ( -6.987 -0.000 5.355) 8.803 3.224 ( -7.083 -0.000 5.169) 8.769 3.658 ( -4.793 -0.000 1.373) 4.986 4.455 ( 2.837 0.000 -6.203) 6.821 4.814 ( -12.439 -0.000 0.434) 12.447 4.950 ( -3.678 -0.000 -9.105) 9.820 5.239 ( 0.348 0.000 15.881) 15.885 5.354 ( 3.270 0.000 -4.233) 5.349 5.714 ( -3.472 -0.000 10.503) 11.062 6.249 ( -18.624 -0.000 1.939) 18.724 6.492 ( 2.842 0.000 -2.618) 3.864 6.787 ( 0.582 0.000 -0.910) 1.080 7.536 ( -2.623 -0.000 5.323) 5.934 7.711 ( -0.652 -0.000 -1.475) 1.612 8.641 ( 1.168 0.000 3.254) 3.457 8.906 ( -5.322 -0.000 -0.783) 5.379 9.108 ( -0.764 -0.000 -1.478) 1.664 9.661 ( 1.729 0.000 2.863) 3.345 11.692 ( 2.768 0.000 3.329) 4.330 12.110 ( 1.603 0.000 -5.108) 5.353 12.265 ( -4.138 -0.000 -0.872) 4.228 12.266 ( -1.204 -0.000 3.081) 3.308 12.424 ( -4.653 -0.000 3.188) 5.641 12.902 ( 2.221 0.000 -0.686) 2.325 13.962 ( 2.642 0.000 2.144) 3.403 14.884 ( 7.747 0.000 -8.520) 11.515 16.973 ( 1.876 0.000 0.514) 1.945 19.346 ( 0.233 0.000 2.673) 2.683 19.861 ( 18.162 0.000 -13.655) 22.723 20.523 ( 14.706 0.000 10.966) 18.344 20.709 ( -2.669 -0.000 -16.130) 16.349 21.485 ( -18.459 -0.000 7.536) 19.938 23.869 ( -2.749 -0.000 3.454) 4.414 24.189 ( 0.293 0.000 0.042) 0.296 ======================= Grid point 188 (83/432) ======================= q-point: (-0.45 0.45 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 1.432 13.616 5.501) 14.754 2.601 ( 2.230 13.137 22.661) 26.288 3.241 ( -3.052 -8.627 3.581) 9.826 3.331 ( 0.023 -11.297 10.702) 15.562 3.736 ( 3.818 0.108 12.416) 12.990 4.391 ( -4.522 1.143 -5.734) 7.392 4.611 ( -1.410 0.075 -10.298) 10.395 4.816 ( -3.669 -4.214 -7.260) 9.161 5.364 ( -1.028 13.254 15.513) 20.430 5.494 ( 7.477 -2.099 6.998) 10.453 5.803 ( -7.583 -14.524 9.911) 19.149 6.159 ( 0.469 2.730 3.295) 4.305 6.473 ( 1.503 -4.086 -6.386) 7.729 6.827 ( 1.735 -1.091 2.983) 3.619 7.472 ( -5.716 8.165 2.129) 10.192 7.771 ( 2.663 -7.698 0.240) 8.150 8.663 ( -4.364 -3.569 1.311) 5.788 8.861 ( 0.460 0.611 -0.634) 0.993 9.099 ( 0.692 -1.956 -0.910) 2.265 9.746 ( 1.623 0.622 8.244) 8.426 11.725 ( -2.011 2.059 3.117) 4.242 11.969 ( -0.033 27.303 -4.898) 27.739 12.115 ( 0.711 3.362 -3.421) 4.849 12.291 ( -3.742 2.330 5.690) 7.198 12.538 ( -1.588 -23.739 -2.342) 23.907 12.976 ( 5.191 1.376 5.988) 8.043 13.921 ( -6.779 -1.051 -5.016) 8.498 14.863 ( 4.502 -4.849 -12.928) 14.523 17.091 ( 6.308 -0.776 10.175) 11.997 19.190 ( -10.968 -0.643 -14.885) 18.501 19.944 ( 13.154 1.489 -8.540) 15.754 20.263 ( -13.599 0.280 -17.598) 22.241 21.046 ( 20.661 5.014 16.410) 26.857 21.432 ( -6.107 -3.852 9.888) 12.244 23.848 ( -4.128 0.326 1.224) 4.318 24.162 ( -2.183 -0.080 -2.970) 3.687 ======================= Grid point 189 (84/432) ======================= q-point: (-0.36 0.45 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 8.041 12.745 9.511) 17.820 2.763 ( 4.755 22.034 21.443) 31.111 3.364 ( 3.741 -4.200 7.739) 9.567 3.596 ( 4.390 -12.770 9.426) 16.468 3.987 ( 4.269 -5.084 16.289) 17.590 4.248 ( -6.465 -0.358 0.183) 6.477 4.549 ( 6.201 -0.856 -10.172) 11.943 4.810 ( 1.318 -8.879 0.472) 8.989 5.353 ( -6.765 12.577 13.932) 19.952 5.697 ( 11.978 0.077 4.077) 12.653 6.007 ( -1.990 -17.747 8.890) 19.949 6.189 ( 5.643 6.499 1.302) 8.705 6.501 ( 3.165 -7.700 -2.679) 8.746 6.889 ( 0.182 -0.459 3.696) 3.729 7.346 ( -7.091 5.397 1.165) 8.987 7.842 ( 2.605 -0.790 -2.291) 3.558 8.650 ( -6.019 -11.660 -0.805) 13.147 8.868 ( 2.242 2.841 0.488) 3.652 9.158 ( 3.496 -5.526 1.383) 6.683 9.864 ( 0.820 2.599 11.275) 11.600 11.630 ( 1.862 32.162 -5.406) 32.666 11.690 ( -10.344 2.337 1.963) 10.785 12.089 ( 4.148 0.744 -4.769) 6.365 12.281 ( -2.492 6.299 5.194) 8.536 12.665 ( -0.776 -20.184 -4.884) 20.781 13.141 ( 7.409 2.753 11.177) 13.689 13.711 ( -13.447 -1.159 -8.992) 16.218 14.778 ( 0.661 -8.061 -17.444) 19.228 17.365 ( 8.431 -3.891 16.562) 18.987 18.824 ( -13.546 -1.928 -19.661) 23.953 19.884 ( -11.912 1.407 -10.282) 15.798 19.980 ( 1.786 -0.138 -8.697) 8.880 21.297 ( 8.277 12.836 8.783) 17.618 21.679 ( 12.536 -8.782 13.591) 20.470 23.793 ( -4.609 -0.204 -0.557) 4.647 24.062 ( -3.861 1.826 -6.100) 7.447 ======================= Grid point 190 (85/432) ======================= q-point: (-0.27 0.45 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( 11.395 11.485 16.787) 23.314 2.817 ( 6.762 23.118 8.226) 25.453 3.578 ( 8.659 -1.571 9.772) 13.151 3.776 ( 0.394 -10.193 -1.130) 10.263 4.206 ( -3.244 -11.891 3.807) 12.900 4.319 ( 3.730 2.685 15.932) 16.581 4.601 ( 7.702 -2.738 6.275) 10.305 4.990 ( 6.819 -13.069 3.059) 15.054 5.364 ( -3.149 7.174 15.664) 17.515 5.845 ( 7.383 3.881 1.367) 8.452 6.125 ( 6.359 -0.595 -4.365) 7.736 6.338 ( 3.839 -8.413 10.732) 14.166 6.576 ( 1.118 -3.926 1.038) 4.212 6.903 ( -1.981 1.289 0.451) 2.405 7.233 ( -7.790 -0.882 -1.367) 7.958 7.791 ( 1.326 6.805 -4.190) 8.101 8.689 ( -2.966 -13.555 -2.159) 14.042 8.889 ( 0.293 -2.306 1.164) 2.600 9.300 ( 4.534 -7.890 3.475) 9.741 9.969 ( 0.440 6.807 12.311) 14.074 11.302 ( 1.591 31.528 -6.301) 32.191 11.540 ( -14.718 0.095 -0.443) 14.725 12.099 ( 6.447 0.745 -4.416) 7.850 12.221 ( -2.310 10.659 1.819) 11.057 12.749 ( -0.135 -15.323 -4.836) 16.068 13.345 ( 3.701 4.241 7.871) 9.677 13.447 ( -10.232 -1.533 -1.858) 10.512 14.618 ( -2.939 -9.732 -20.676) 23.040 17.714 ( 7.018 -6.943 17.123) 19.765 18.488 ( -8.768 -3.545 -15.638) 18.275 19.616 ( -12.409 -1.941 -7.034) 14.395 19.886 ( -5.483 3.520 -3.595) 7.442 21.345 ( 8.247 11.390 0.227) 14.064 22.082 ( 14.403 -6.092 13.198) 20.463 23.719 ( -4.844 -0.324 -2.448) 5.437 23.914 ( -2.754 3.588 -6.903) 8.253 ======================= Grid point 191 (86/432) ======================= q-point: (-0.18 0.45 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( 1.946 19.947 2.242) 20.167 2.987 ( 12.350 9.479 20.227) 25.524 3.758 ( 5.334 -3.745 -1.134) 6.616 3.817 ( -0.599 -6.444 -0.826) 6.524 4.221 ( -3.225 -10.561 -5.454) 12.316 4.588 ( 8.977 6.660 21.511) 24.242 4.904 ( 10.171 -6.809 13.110) 17.935 5.152 ( 0.358 -11.015 -2.309) 11.260 5.573 ( 3.596 1.575 25.140) 25.444 5.870 ( 1.892 4.512 1.447) 5.103 6.157 ( 8.439 3.826 -4.988) 10.523 6.526 ( -1.156 -8.488 0.465) 8.579 6.659 ( 2.553 0.567 11.239) 11.539 6.818 ( -6.269 2.677 -1.689) 7.023 7.095 ( -9.057 -4.407 -8.255) 13.023 7.753 ( 7.558 4.952 -1.488) 9.157 8.713 ( -5.759 -9.909 -2.054) 11.643 8.939 ( -0.497 -8.043 0.543) 8.077 9.451 ( 1.989 -5.075 3.772) 6.628 10.050 ( 2.166 9.422 11.501) 15.025 11.031 ( 4.017 25.821 -4.874) 26.582 11.300 ( -18.359 -2.491 -5.073) 19.209 12.099 ( -1.735 12.734 -0.012) 12.851 12.141 ( 7.369 0.111 -3.532) 8.172 12.809 ( -0.154 -11.317 -3.762) 11.927 13.167 ( -12.036 -0.590 -4.136) 12.740 13.626 ( 8.603 4.865 14.655) 17.676 14.408 ( -5.001 -10.191 -20.611) 23.530 17.976 ( -0.802 -5.087 8.372) 9.829 18.361 ( 3.975 -7.472 -5.755) 10.235 19.441 ( -10.213 -3.032 -1.966) 10.833 19.686 ( -12.423 8.684 -2.255) 15.325 21.351 ( 9.091 6.452 -4.745) 12.115 22.424 ( 11.455 -2.679 10.130) 15.525 23.616 ( -2.344 2.548 -5.015) 6.094 23.806 ( -1.536 0.639 -3.726) 4.081 ======================= Grid point 192 (87/432) ======================= q-point: (-0.09 0.45 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( -1.895 7.341 -0.427) 7.593 3.271 ( 4.808 7.177 19.028) 20.897 3.755 ( -0.824 -4.993 -7.514) 9.059 3.873 ( 0.908 -3.426 3.348) 4.875 4.218 ( 0.799 -5.066 -4.305) 6.696 4.840 ( 10.345 6.048 4.302) 12.732 5.137 ( 9.821 1.687 -0.186) 9.966 5.245 ( -4.848 -6.826 12.006) 14.636 5.760 ( -4.765 4.582 10.222) 12.173 5.951 ( 2.263 -0.594 3.060) 3.852 6.198 ( 7.566 1.390 5.114) 9.237 6.544 ( -6.809 -6.941 2.628) 10.072 6.635 ( -8.918 -1.957 -3.054) 9.628 6.832 ( 0.212 5.541 7.537) 9.357 6.943 ( -4.337 -4.634 -3.653) 7.322 7.878 ( 15.938 1.181 0.398) 15.986 8.639 ( -15.097 -7.133 0.799) 16.717 9.041 ( 2.591 -8.369 2.212) 9.036 9.470 ( -3.550 2.723 -0.311) 4.485 10.150 ( 5.313 5.904 8.255) 11.456 10.869 ( 3.788 21.011 -0.604) 21.358 11.040 ( -13.649 -10.681 -9.023) 19.539 12.002 ( 0.401 9.001 1.692) 9.167 12.200 ( 6.092 -0.103 -1.933) 6.392 12.844 ( -0.807 -8.943 -3.686) 9.706 13.020 ( -7.159 1.897 1.032) 7.477 13.825 ( 6.004 4.997 7.324) 10.708 14.225 ( -2.740 -7.385 -12.035) 14.384 17.992 ( -3.636 -1.609 -0.315) 3.989 18.529 ( 10.868 -10.288 -1.473) 15.037 19.324 ( -16.081 5.877 5.893) 18.107 19.406 ( -5.179 6.466 -7.189) 10.969 21.381 ( 7.640 -1.514 -5.141) 9.332 22.635 ( 6.275 2.613 6.120) 9.146 23.528 ( 2.662 4.793 -4.470) 7.074 23.773 ( -1.816 -3.741 -0.679) 4.214 ======================= Grid point 199 (88/432) ======================= q-point: (-0.45 0.55 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( 5.746 0.000 5.637) 8.050 3.004 ( 1.006 0.000 28.601) 28.619 3.284 ( 6.440 0.000 6.642) 9.251 3.455 ( 4.995 0.000 10.381) 11.520 3.950 ( 4.325 0.000 12.557) 13.281 4.236 ( -6.316 -0.000 -2.425) 6.766 4.571 ( 11.955 0.000 -10.666) 16.021 4.691 ( -2.736 -0.000 -2.104) 3.451 5.637 ( -0.440 -0.000 13.524) 13.531 5.689 ( -0.545 -0.000 12.858) 12.869 5.708 ( 4.174 0.000 5.430) 6.849 6.282 ( 7.481 0.000 2.280) 7.821 6.400 ( 3.931 0.000 -6.228) 7.365 6.887 ( 0.074 0.000 5.081) 5.082 7.400 ( -9.729 -0.000 -1.626) 9.864 7.835 ( 7.002 0.000 2.855) 7.562 8.543 ( -7.940 -0.000 -3.005) 8.489 8.898 ( 2.319 0.000 0.769) 2.443 9.110 ( 2.064 0.000 1.467) 2.532 9.886 ( 1.550 0.000 11.822) 11.923 11.692 ( -9.666 -0.000 2.468) 9.976 12.043 ( 3.762 0.000 -7.170) 8.098 12.102 ( 2.708 0.000 -11.432) 11.748 12.324 ( -1.432 -0.000 4.896) 5.101 12.377 ( -3.255 -0.000 3.414) 4.717 13.165 ( 7.418 0.000 11.288) 13.507 13.699 ( -13.869 -0.000 -8.541) 16.288 14.708 ( 0.792 0.000 -16.973) 16.991 17.334 ( 8.612 0.000 15.271) 17.532 18.808 ( -13.349 -0.000 -20.266) 24.267 19.897 ( -13.636 -0.000 -14.620) 19.992 19.978 ( 3.977 0.000 -5.957) 7.163 21.471 ( 1.897 0.000 4.880) 5.236 21.541 ( 18.317 0.000 18.905) 26.323 23.791 ( -5.060 -0.000 -0.563) 5.091 24.077 ( -3.191 -0.000 -5.728) 6.557 ======================= Grid point 201 (89/432) ======================= q-point: (-0.36 0.55 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( 12.458 3.932 10.983) 17.067 3.170 ( -1.585 16.677 12.294) 20.780 3.537 ( 9.843 -5.056 10.547) 15.286 3.603 ( 3.978 -7.108 0.288) 8.150 4.063 ( -3.934 -4.719 2.235) 6.537 4.311 ( 4.130 -1.592 17.220) 17.780 4.613 ( 11.322 3.770 -1.734) 12.058 4.778 ( 4.853 -10.568 3.620) 12.180 5.601 ( -1.711 18.432 13.459) 22.887 5.878 ( 1.595 -3.526 6.610) 7.660 5.952 ( 8.500 -12.555 4.877) 15.927 6.343 ( 7.422 5.063 -0.575) 9.003 6.484 ( 5.935 -6.087 1.107) 8.573 6.920 ( -2.241 0.612 2.632) 3.510 7.234 ( -10.154 0.317 -3.508) 10.747 7.922 ( 5.065 7.092 0.575) 8.734 8.442 ( -7.730 -11.408 -3.172) 14.141 8.911 ( 0.976 1.866 -0.650) 2.204 9.200 ( 4.117 -3.559 4.842) 7.284 10.044 ( 1.311 2.230 13.583) 13.827 11.523 ( -16.108 0.142 -2.657) 16.326 11.829 ( 3.010 27.027 -8.618) 28.527 12.086 ( 6.515 -3.570 -7.776) 10.755 12.352 ( -2.651 4.149 4.408) 6.609 12.458 ( -1.450 -16.739 0.398) 16.806 13.392 ( -8.871 1.264 -2.121) 9.208 13.423 ( 1.194 -0.876 8.394) 8.524 14.496 ( -2.705 -4.085 -20.577) 21.152 17.640 ( 8.230 -2.140 16.498) 18.561 18.448 ( -9.032 -1.212 -16.190) 18.579 19.594 ( -11.304 -0.675 -9.939) 15.067 19.921 ( -3.800 0.884 -3.531) 5.262 21.511 ( 6.336 6.753 -1.770) 9.428 21.987 ( 13.769 -4.248 18.127) 23.156 23.711 ( -5.483 -0.353 -1.666) 5.741 23.956 ( -2.373 1.263 -7.811) 8.261 ======================= Grid point 202 (90/432) ======================= q-point: (-0.27 0.55 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.005 ( -7.229 12.133 -6.326) 15.475 3.103 ( 13.168 4.710 15.212) 20.663 3.726 ( 6.185 -2.313 2.172) 6.951 3.735 ( 2.548 -0.453 1.371) 2.929 4.072 ( 1.598 -7.632 0.109) 7.799 4.647 ( 8.436 0.932 21.325) 22.952 4.810 ( 10.220 -4.460 10.182) 15.100 4.967 ( 1.187 -9.572 5.497) 11.102 5.660 ( 4.104 8.578 15.107) 17.851 5.933 ( -1.411 1.863 2.467) 3.398 6.179 ( 9.513 -2.019 1.450) 9.832 6.391 ( 2.817 -5.221 -3.998) 7.154 6.651 ( 5.037 -1.455 10.395) 11.642 6.860 ( -4.627 2.040 -3.327) 6.053 7.057 ( -8.844 -0.817 -6.216) 10.840 7.877 ( 3.143 10.205 -0.875) 10.713 8.446 ( -8.514 -18.453 -2.556) 20.482 8.901 ( 1.546 0.564 -0.894) 1.873 9.369 ( 5.336 -4.127 6.863) 9.623 10.177 ( 0.753 5.489 12.591) 13.756 11.234 ( -17.932 -0.717 -8.338) 19.789 11.543 ( 1.671 29.004 -5.559) 29.579 12.125 ( 7.596 -2.585 -6.051) 10.049 12.279 ( -5.297 7.975 1.167) 9.644 12.578 ( -1.054 -15.510 -0.722) 15.562 13.144 ( -12.322 -1.527 -4.045) 13.059 13.690 ( 8.950 2.597 15.770) 18.318 14.251 ( -4.588 -7.684 -21.679) 23.454 17.916 ( 3.978 -2.249 11.613) 12.480 18.264 ( -0.131 -4.071 -7.459) 8.498 19.400 ( -7.218 -1.656 -4.387) 8.607 19.784 ( -10.415 3.347 -1.364) 11.025 21.482 ( 7.582 7.741 -8.056) 13.502 22.371 ( 9.826 -3.253 16.617) 19.577 23.622 ( -5.215 -0.800 -2.253) 5.737 23.833 ( -0.005 1.802 -8.174) 8.370 ======================= Grid point 203 (91/432) ======================= q-point: (-0.18 0.55 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( -11.231 3.073 -12.046) 16.754 3.301 ( -6.601 -2.539 5.992) 9.269 3.727 ( 5.057 1.218 1.102) 5.317 3.866 ( 7.084 3.224 6.588) 10.197 4.204 ( 10.994 1.582 -0.804) 11.136 4.898 ( 12.642 -0.567 -3.547) 13.143 5.107 ( -4.758 -6.479 13.121) 15.387 5.138 ( 4.366 -1.693 23.124) 23.594 5.830 ( -2.468 3.321 9.151) 10.043 5.936 ( 1.540 -1.011 6.372) 6.633 6.217 ( 3.994 0.496 -6.604) 7.734 6.403 ( -3.961 -7.085 -7.072) 10.765 6.653 ( -10.938 2.160 -2.724) 11.477 6.895 ( 5.287 1.163 11.159) 12.403 6.920 ( -1.316 2.085 -0.800) 2.592 7.896 ( 10.120 1.789 -0.385) 10.284 8.422 ( -14.491 -16.595 -1.586) 22.088 8.944 ( 3.971 -3.301 0.754) 5.219 9.511 ( 2.394 1.483 4.477) 5.289 10.259 ( 1.119 6.752 9.077) 11.368 10.910 ( -18.617 -5.423 -10.226) 21.922 11.288 ( 4.620 28.090 -3.037) 28.629 12.131 ( -6.378 6.259 -0.295) 8.941 12.187 ( 5.016 -2.057 -2.772) 6.089 12.669 ( 0.184 -12.025 -1.971) 12.187 13.026 ( -5.276 -0.381 1.355) 5.461 13.886 ( 0.181 1.450 -0.933) 1.733 14.095 ( 3.935 -6.913 -3.560) 8.715 17.995 ( -0.882 1.801 1.666) 2.608 18.360 ( 8.326 -9.585 0.336) 12.701 19.331 ( -2.844 -0.579 1.443) 3.241 19.562 ( -14.572 7.665 -0.887) 16.489 21.414 ( 7.540 4.597 -11.111) 14.193 22.659 ( 5.059 0.375 14.046) 14.934 23.553 ( -2.732 -1.631 -1.651) 3.585 23.747 ( 1.532 0.630 -6.776) 6.976 ======================= Grid point 204 (92/432) ======================= q-point: (-0.09 -0.45 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( -11.983 -8.290 -11.615) 18.634 3.159 ( -20.857 -14.559 -4.976) 25.918 3.832 ( 6.452 7.678 4.942) 11.181 4.007 ( 3.805 3.259 8.190) 9.600 4.290 ( 11.651 9.701 0.220) 15.163 4.935 ( 9.307 2.457 -11.396) 14.917 5.143 ( -10.129 -1.023 -0.871) 10.217 5.428 ( 1.437 3.388 20.193) 20.525 5.751 ( -13.131 5.018 2.760) 14.326 5.965 ( -1.736 1.328 -1.178) 2.483 6.213 ( -5.199 -8.258 -16.064) 18.795 6.315 ( 2.865 -8.915 1.465) 9.478 6.517 ( -10.955 -4.903 7.733) 14.278 6.962 ( -1.010 3.525 6.613) 7.562 7.066 ( 7.084 8.186 14.188) 17.846 8.081 ( 15.888 -2.511 -2.454) 16.271 8.340 ( -17.555 -16.015 4.210) 24.133 9.068 ( 4.891 -5.672 2.809) 7.999 9.477 ( -2.079 9.312 -1.095) 9.604 10.258 ( -6.442 5.233 -0.330) 8.306 10.690 ( -7.554 -10.295 -3.724) 13.301 11.146 ( 8.793 21.937 -0.807) 23.648 12.020 ( -8.318 -0.913 3.220) 8.967 12.235 ( 3.477 -1.339 -1.680) 4.087 12.762 ( 4.996 -7.629 -0.691) 9.145 13.018 ( -1.237 2.011 4.440) 5.029 13.712 ( -6.946 -5.532 -15.736) 18.069 14.320 ( 11.314 2.161 12.729) 17.167 17.960 ( -0.574 2.594 -3.024) 4.025 18.557 ( 10.883 -9.032 -2.633) 14.386 19.242 ( -17.523 10.906 3.355) 20.911 19.389 ( 4.106 2.060 0.763) 4.656 21.364 ( 5.880 -1.867 -10.508) 12.186 22.797 ( -1.112 6.157 9.852) 11.671 23.555 ( 1.601 -1.439 0.980) 2.365 23.710 ( 1.301 -2.710 -3.942) 4.958 ======================= Grid point 212 (93/432) ======================= q-point: (-0.36 0.64 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.106 ( -13.078 -0.000 -12.110) 17.823 3.144 ( 13.025 0.000 13.451) 18.724 3.691 ( 6.445 0.000 -3.029) 7.121 3.770 ( 5.571 0.000 14.680) 15.702 3.989 ( 4.089 0.000 0.392) 4.107 4.653 ( 9.867 0.000 20.479) 22.732 4.763 ( 12.141 0.000 2.551) 12.406 4.883 ( -0.844 -0.000 14.591) 14.615 5.779 ( 4.113 0.000 0.539) 4.148 5.921 ( -5.938 -0.000 12.592) 13.922 6.139 ( 13.314 0.000 7.014) 15.048 6.361 ( 1.727 0.000 -8.379) 8.555 6.633 ( 8.191 0.000 9.811) 12.781 6.878 ( -4.237 -0.000 -3.273) 5.354 7.052 ( -8.648 -0.000 -5.658) 10.334 8.037 ( 4.019 0.000 0.268) 4.028 8.214 ( -11.589 -0.000 -3.224) 12.029 8.910 ( 0.972 0.000 -2.179) 2.386 9.331 ( 6.439 0.000 8.361) 10.553 10.224 ( 0.854 0.000 12.938) 12.966 11.225 ( -19.950 -0.000 -7.998) 21.494 11.966 ( 6.767 0.000 -12.406) 14.132 11.976 ( 4.745 0.000 -6.396) 7.964 12.352 ( -6.554 -0.000 1.113) 6.647 12.401 ( -2.508 -0.000 5.734) 6.258 13.130 ( -11.972 -0.000 -3.905) 12.593 13.711 ( 9.095 0.000 16.052) 18.450 14.183 ( -4.643 -0.000 -22.228) 22.708 17.898 ( 5.896 0.000 12.979) 14.255 18.230 ( -1.868 -0.000 -8.386) 8.591 19.387 ( -6.205 -0.000 -5.109) 8.038 19.810 ( -9.508 -0.000 -1.430) 9.615 21.556 ( 7.361 0.000 -9.935) 12.365 22.339 ( 8.868 0.000 19.981) 21.861 23.612 ( -6.212 -0.000 -1.835) 6.477 23.849 ( 0.520 0.000 -9.262) 9.277 ======================= Grid point 214 (94/432) ======================= q-point: (-0.27 -0.36 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( -16.371 0.247 -18.124) 24.424 3.244 ( -15.354 -2.617 -1.757) 15.674 3.759 ( 13.424 1.636 6.370) 14.948 3.965 ( 5.567 6.199 10.958) 13.765 4.211 ( 19.597 -1.270 0.551) 19.646 4.838 ( 14.155 -3.806 -8.853) 17.124 5.020 ( -5.393 -2.718 15.308) 16.456 5.144 ( 2.502 0.759 34.887) 34.985 5.862 ( 5.005 0.718 4.127) 6.527 5.924 ( -6.494 -0.376 4.649) 7.995 6.210 ( -2.406 -0.760 -13.378) 13.614 6.338 ( 1.059 -1.277 -1.337) 2.130 6.682 ( -11.252 1.029 -4.337) 12.102 6.905 ( 10.654 0.370 6.808) 12.649 6.956 ( 1.357 1.281 3.815) 4.246 7.965 ( -2.818 7.039 -0.481) 7.597 8.156 ( -8.280 -13.937 -1.278) 16.262 8.913 ( 3.414 -0.777 -1.830) 3.950 9.522 ( 6.480 0.162 8.098) 10.373 10.348 ( 0.533 3.146 9.636) 10.150 10.850 ( -21.513 -1.878 -10.794) 24.142 11.748 ( 5.521 25.017 -8.134) 26.879 12.092 ( 5.730 -11.002 -5.607) 13.613 12.212 ( -11.187 3.419 -0.329) 11.702 12.469 ( -2.518 -9.423 4.028) 10.553 13.026 ( -2.835 0.263 1.547) 3.240 13.864 ( -5.618 -2.442 -16.992) 18.063 14.036 ( 10.283 -0.726 12.062) 15.867 18.041 ( 1.585 2.922 3.961) 5.172 18.227 ( 5.589 -5.576 0.026) 7.895 19.327 ( 0.169 -0.063 1.136) 1.150 19.641 ( -14.109 2.125 0.106) 14.268 21.491 ( 7.416 3.266 -15.054) 17.097 22.656 ( 3.886 -0.409 20.147) 20.523 23.516 ( -6.422 -1.635 -1.223) 6.739 23.765 ( 3.894 0.869 -9.616) 10.411 ======================= Grid point 215 (95/432) ======================= q-point: (-0.18 -0.36 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -18.013 -5.508 -17.189) 25.500 2.936 ( -26.328 -10.836 -8.497) 29.712 3.980 ( 8.861 9.054 5.876) 13.965 4.077 ( 3.995 4.592 7.765) 9.867 4.443 ( 19.280 6.879 0.432) 20.475 4.916 ( 9.160 -3.820 -9.835) 13.972 5.120 ( -7.945 -0.763 7.913) 11.239 5.448 ( -4.949 -1.497 16.148) 16.955 5.815 ( -13.362 3.640 10.700) 17.501 5.994 ( 0.630 1.610 -2.088) 2.710 6.072 ( -1.523 -6.886 -8.208) 10.821 6.232 ( -0.832 -2.760 -3.579) 4.595 6.457 ( -11.987 -2.197 -4.432) 12.967 7.047 ( 2.721 6.430 8.058) 10.662 7.168 ( 10.250 3.723 14.384) 18.050 7.966 ( -1.402 -12.755 2.082) 12.999 8.120 ( -6.381 -5.927 -2.232) 8.991 8.981 ( 6.009 -3.922 -0.213) 7.179 9.621 ( 1.763 6.582 2.914) 7.411 10.353 ( -10.753 5.845 -2.125) 12.422 10.557 ( -6.226 -6.142 -1.208) 8.829 11.541 ( 7.422 23.079 -7.057) 25.249 12.004 ( -15.565 0.245 2.921) 15.838 12.202 ( 5.098 -2.964 -2.573) 6.434 12.592 ( 1.612 -12.576 3.477) 13.147 13.050 ( 1.989 2.046 3.997) 4.911 13.612 ( -6.011 -5.555 -17.958) 19.735 14.346 ( 11.919 0.989 15.086) 19.252 18.019 ( 0.495 4.123 -3.683) 5.550 18.408 ( 10.234 -8.006 2.108) 13.163 19.375 ( -6.690 4.771 5.326) 9.792 19.432 ( -5.580 2.708 0.652) 6.237 21.373 ( 6.471 1.987 -16.559) 17.889 22.882 ( -1.521 3.945 17.954) 18.445 23.469 ( -5.304 -6.250 1.877) 8.410 23.717 ( 6.312 1.565 -8.748) 10.901 ======================= Grid point 216 (96/432) ======================= q-point: (-0.09 -0.36 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -17.843 -14.164 -13.744) 26.606 2.622 ( -27.501 -20.271 -6.074) 34.700 3.972 ( -1.112 6.965 -0.894) 7.109 4.131 ( 1.800 7.197 1.950) 7.671 4.578 ( 4.854 12.001 -0.485) 12.955 4.834 ( -20.021 -0.935 -5.399) 20.758 4.931 ( 8.151 3.415 -16.772) 18.958 5.453 ( -13.417 -4.935 2.157) 14.457 5.804 ( -11.508 2.663 14.184) 18.459 5.868 ( -2.543 9.091 0.753) 9.470 6.070 ( 6.813 -3.759 -5.031) 9.266 6.228 ( 5.741 -5.465 -10.990) 13.550 6.524 ( -9.150 -9.855 25.065) 28.444 7.024 ( -5.827 8.495 3.612) 10.917 7.405 ( 7.204 8.029 13.565) 17.332 8.002 ( -16.739 -10.756 3.171) 20.148 8.218 ( 13.326 -15.140 -0.987) 20.194 9.129 ( 7.703 -6.682 2.421) 10.481 9.533 ( -1.349 13.064 -2.251) 13.325 10.033 ( -16.869 1.138 -8.951) 19.131 10.668 ( 5.367 -2.678 5.801) 8.345 11.398 ( 8.839 17.950 -6.700) 21.100 11.884 ( -14.975 -5.347 7.915) 17.762 12.231 ( 0.837 -1.639 -1.792) 2.569 12.805 ( 7.237 -11.429 5.990) 14.795 13.116 ( 3.764 3.736 4.760) 7.126 13.387 ( -6.593 -5.406 -15.674) 17.843 14.661 ( 13.416 2.811 13.948) 19.556 17.903 ( 1.131 3.587 -13.363) 13.882 18.652 ( 13.688 -5.095 2.833) 14.878 19.128 ( -16.433 8.109 1.742) 18.407 19.529 ( 7.303 2.731 5.195) 9.369 21.265 ( 4.318 -2.756 -14.847) 15.706 22.930 ( -7.838 10.452 11.248) 17.239 23.550 ( -3.210 -10.750 9.287) 14.564 23.702 ( 7.228 2.128 -6.415) 9.896 ======================= Grid point 225 (97/432) ======================= q-point: (-0.27 -0.27 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( -20.199 -0.000 -18.755) 27.563 2.839 ( -28.380 -0.000 -9.877) 30.050 4.073 ( 13.920 0.000 8.047) 16.079 4.123 ( -1.152 -0.000 5.788) 5.901 4.496 ( 23.516 0.000 -0.390) 23.519 4.870 ( 7.724 0.000 -7.110) 10.498 5.122 ( -4.937 -0.000 16.681) 17.397 5.415 ( -9.297 -0.000 -0.125) 9.298 5.877 ( -14.234 -0.000 23.110) 27.142 5.974 ( 6.951 0.000 1.172) 7.050 6.023 ( -3.770 -0.000 -4.928) 6.205 6.212 ( -3.133 -0.000 -10.650) 11.102 6.440 ( -12.074 -0.000 -9.465) 15.342 7.128 ( 8.689 0.000 7.241) 11.310 7.187 ( 10.336 0.000 15.486) 18.619 7.824 ( -17.121 -0.000 2.678) 17.330 8.083 ( 3.238 0.000 -3.098) 4.482 8.948 ( 5.919 0.000 -1.785) 6.182 9.677 ( 4.018 0.000 4.858) 6.305 10.428 ( -21.688 -0.000 -11.152) 24.388 10.484 ( 3.580 0.000 8.037) 8.798 11.768 ( 0.150 0.000 -14.937) 14.937 12.090 ( -9.320 -0.000 1.716) 9.477 12.104 ( 7.564 0.000 1.614) 7.734 12.443 ( -4.324 -0.000 7.165) 8.369 13.072 ( 3.251 0.000 3.795) 4.997 13.560 ( -4.792 -0.000 -18.864) 19.463 14.354 ( 11.734 0.000 15.799) 19.680 18.065 ( 0.595 0.000 -5.569) 5.600 18.330 ( 9.976 0.000 5.376) 11.333 19.413 ( 5.619 0.000 5.728) 8.024 19.457 ( -16.785 -0.000 1.085) 16.820 21.396 ( 6.576 0.000 -19.214) 20.309 22.918 ( -1.421 -0.000 22.836) 22.880 23.408 ( -7.159 -0.000 -0.418) 7.172 23.732 ( 7.061 0.000 -9.370) 11.732 ======================= Grid point 226 (98/432) ======================= q-point: (-0.18 -0.27 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -22.435 -5.239 -13.500) 26.702 2.362 ( -31.996 -9.061 -9.571) 34.605 4.064 ( -5.991 3.221 -4.477) 8.144 4.246 ( 6.512 5.084 2.806) 8.725 4.737 ( -8.593 5.364 -5.734) 11.640 4.799 ( -1.830 -2.270 -0.518) 2.961 5.009 ( 4.027 6.786 -17.328) 19.040 5.292 ( -8.311 -11.327 7.932) 16.134 5.828 ( -12.269 1.040 -3.172) 12.715 6.020 ( 2.177 3.827 4.253) 6.122 6.048 ( 7.416 2.505 -1.879) 8.051 6.197 ( -2.728 2.392 -3.440) 4.999 6.351 ( -9.057 -10.153 29.081) 32.107 7.210 ( -0.636 12.460 4.564) 13.285 7.481 ( 7.343 -0.708 12.737) 14.719 7.726 ( -14.583 -14.445 7.032) 21.697 8.099 ( 6.764 -2.273 -5.612) 9.078 9.033 ( 7.725 -3.416 -0.702) 8.476 9.707 ( 0.019 6.097 0.167) 6.099 10.049 ( -17.366 0.648 -9.160) 19.645 10.649 ( 7.165 -0.326 7.691) 10.517 11.580 ( -0.068 2.071 -13.148) 13.310 11.954 ( -9.244 12.908 7.605) 17.604 12.202 ( 2.040 -2.274 -1.789) 3.540 12.569 ( 0.056 -13.478 10.187) 16.894 13.166 ( 5.137 1.999 3.947) 6.780 13.318 ( -3.607 -2.492 -16.130) 16.715 14.690 ( 13.352 0.763 14.927) 20.042 17.953 ( 2.533 1.835 -15.614) 15.924 18.576 ( 13.058 -2.904 8.004) 15.589 19.232 ( -17.410 3.486 1.240) 17.799 19.565 ( 6.976 1.294 6.331) 9.509 21.245 ( 5.001 -0.233 -19.459) 20.092 23.097 ( -6.334 8.903 19.415) 22.278 23.365 ( -6.091 -9.810 4.976) 12.573 23.732 ( 7.766 1.041 -6.601) 10.245 ======================= Grid point 227 (99/432) ======================= q-point: (-0.09 -0.27 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -23.478 -12.025 -6.768) 27.233 2.004 ( -30.465 -23.432 -3.782) 38.620 3.742 ( -23.599 -2.764 -28.402) 37.030 4.140 ( -23.815 4.476 1.056) 24.255 4.308 ( -2.818 6.335 2.557) 7.390 4.869 ( 3.065 9.991 -9.853) 14.363 4.964 ( 8.165 4.437 -1.494) 9.412 5.271 ( -11.094 -3.298 1.401) 11.659 5.672 ( -6.170 -3.381 -0.917) 7.095 6.059 ( 1.282 4.776 3.497) 6.056 6.098 ( -0.353 3.412 6.259) 7.137 6.244 ( 13.430 -3.470 -1.351) 13.936 6.643 ( -11.429 -5.400 29.224) 31.840 7.046 ( -9.171 14.814 1.285) 17.470 7.628 ( -1.053 1.746 4.994) 5.394 7.778 ( -10.631 -10.133 9.430) 17.454 8.222 ( 10.643 -14.487 -3.431) 18.300 9.203 ( 9.301 -8.975 2.663) 13.196 9.592 ( -1.914 13.327 -3.586) 13.933 9.775 ( -9.756 1.864 -5.837) 11.521 10.817 ( 6.079 2.107 6.061) 8.839 11.447 ( 4.226 0.807 -13.821) 14.475 11.831 ( -14.822 9.718 15.488) 23.537 12.195 ( -0.624 -1.668 -1.862) 2.577 12.860 ( 2.930 -18.835 12.533) 22.813 13.117 ( -1.660 -1.268 -13.990) 14.145 13.267 ( 5.232 2.732 3.730) 6.982 15.016 ( 14.394 2.243 12.445) 19.160 17.738 ( 4.647 3.489 -27.350) 27.960 18.873 ( 14.216 -3.433 7.772) 16.562 18.997 ( -13.905 5.084 1.269) 14.859 19.705 ( 6.661 1.956 5.149) 8.643 21.103 ( 2.923 -3.161 -16.528) 17.080 23.022 ( -11.825 15.090 8.680) 21.045 23.537 ( -1.574 -12.832 12.221) 17.790 23.771 ( 4.284 1.246 2.573) 5.151 ======================= Grid point 237 (100/432) ======================= q-point: (-0.18 -0.18 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -26.748 -0.000 -1.599) 26.796 1.780 ( -34.481 -0.000 -8.037) 35.406 3.719 ( -26.841 -0.000 -31.096) 41.078 4.180 ( -30.451 -0.000 0.572) 30.457 4.370 ( 3.378 0.000 3.788) 5.075 4.976 ( 6.715 0.000 -3.566) 7.603 4.997 ( 7.405 0.000 -10.841) 13.129 5.218 ( -7.776 -0.000 5.279) 9.398 5.641 ( -8.811 -0.000 -1.246) 8.899 6.072 ( 4.043 0.000 -0.712) 4.105 6.149 ( 6.221 0.000 0.083) 6.221 6.225 ( 5.250 0.000 5.602) 7.678 6.589 ( -11.662 -0.000 34.805) 36.707 7.339 ( 0.449 0.000 1.726) 1.783 7.405 ( -18.188 -0.000 7.566) 19.699 7.754 ( 0.039 0.000 10.271) 10.271 8.103 ( 7.307 0.000 -6.486) 9.770 9.120 ( 8.410 0.000 1.086) 8.480 9.715 ( -1.622 -0.000 -1.652) 2.315 9.793 ( -8.648 -0.000 -6.207) 10.645 10.833 ( 8.026 0.000 6.328) 10.221 11.418 ( -2.344 -0.000 -10.502) 10.760 12.021 ( -7.837 -0.000 11.465) 13.887 12.180 ( -0.341 -0.000 -2.179) 2.205 12.627 ( -1.339 -0.000 12.433) 12.505 13.106 ( -1.415 -0.000 -13.731) 13.803 13.290 ( 5.400 0.000 3.699) 6.545 15.034 ( 14.274 0.000 12.902) 19.241 17.769 ( 6.664 0.000 -28.699) 29.463 18.836 ( 10.722 0.000 9.251) 14.161 19.050 ( -12.974 -0.000 1.097) 13.021 19.723 ( 5.798 0.000 5.167) 7.766 21.077 ( 3.652 0.000 -18.409) 18.768 23.229 ( -7.412 -0.000 0.985) 7.477 23.349 ( -5.911 -0.000 24.513) 25.215 23.782 ( 4.494 0.000 0.961) 4.596 ======================= Grid point 238 (101/432) ======================= q-point: (-0.09 -0.18 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -30.835 -1.344 8.273) 31.954 1.380 ( -32.460 -23.496 1.355) 40.094 2.808 ( -49.671 -4.944 -34.207) 60.512 4.000 ( -11.896 0.683 9.814) 15.437 4.431 ( -0.789 5.245 7.352) 9.066 4.814 ( -4.792 9.359 -9.792) 14.368 4.931 ( -2.833 -2.757 -9.408) 10.204 5.223 ( 0.048 1.019 0.642) 1.205 5.651 ( 0.036 -2.603 11.103) 11.404 6.101 ( 1.182 1.549 0.134) 1.953 6.205 ( -0.816 2.808 6.146) 6.806 6.433 ( 14.361 -0.252 3.745) 14.843 6.763 ( -11.839 -1.900 20.690) 23.914 7.093 ( -12.142 23.353 4.192) 26.653 7.475 ( -8.131 -15.140 -0.110) 17.186 7.809 ( -5.753 1.523 10.981) 12.490 8.195 ( 8.627 -13.371 -2.052) 16.044 9.290 ( 7.879 -6.653 4.752) 11.354 9.615 ( -2.467 9.541 -3.815) 10.568 9.678 ( -0.338 1.400 -4.197) 4.438 10.977 ( 5.809 2.661 4.005) 7.540 11.298 ( 1.254 -3.870 -13.107) 13.724 11.981 ( -15.489 23.341 22.016) 35.629 12.162 ( -0.158 -1.292 -0.067) 1.303 12.828 ( -3.090 -14.396 7.929) 16.723 12.992 ( 4.369 -11.477 -4.745) 13.165 13.388 ( 4.429 1.350 3.053) 5.546 15.337 ( 13.524 0.986 8.808) 16.169 17.447 ( 7.412 2.691 -42.801) 43.522 18.831 ( -10.908 -2.360 -0.418) 11.168 19.152 ( 12.177 0.388 8.280) 14.731 19.834 ( 4.062 0.017 3.659) 5.467 20.937 ( 2.801 -1.655 -14.532) 14.892 23.075 ( -10.864 15.151 4.267) 19.125 23.587 ( 2.640 -7.790 10.223) 13.121 23.905 ( -4.516 -1.402 23.105) 23.584 ======================= Grid point 249 (102/432) ======================= q-point: (-0.09 -0.09 0.08) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( -33.733 -0.000 5.547) 34.186 0.887 ( -36.264 -0.000 27.388) 45.445 1.722 ( -60.814 -0.000 -21.167) 64.392 4.035 ( -5.277 -0.000 12.014) 13.122 4.461 ( -10.068 -0.000 4.400) 10.987 4.772 ( 3.521 0.000 -1.758) 3.936 4.781 ( -5.150 -0.000 1.846) 5.471 5.197 ( -0.570 -0.000 -5.115) 5.147 5.905 ( 9.164 0.000 24.961) 26.590 6.119 ( 0.037 0.000 -0.386) 0.388 6.253 ( -1.669 -0.000 2.365) 2.895 6.665 ( 13.716 0.000 3.123) 14.067 6.728 ( -11.612 -0.000 0.291) 11.616 7.103 ( -15.141 -0.000 3.106) 15.456 7.323 ( -1.851 -0.000 0.204) 1.862 7.920 ( -7.656 -0.000 27.286) 28.339 8.200 ( 7.516 0.000 -2.019) 7.783 9.392 ( 3.860 0.000 3.351) 5.111 9.589 ( -3.426 -0.000 -1.456) 3.723 9.665 ( 6.581 0.000 -6.380) 9.166 11.083 ( 4.006 0.000 1.317) 4.217 11.113 ( 0.744 0.000 -22.877) 22.889 12.144 ( 1.019 0.000 -0.966) 1.405 12.398 ( -5.916 -0.000 40.710) 41.138 12.778 ( -2.389 -0.000 0.611) 2.465 12.857 ( -0.419 -0.000 -2.128) 2.169 13.472 ( 2.493 0.000 2.542) 3.560 15.563 ( 9.954 0.000 2.935) 10.378 17.003 ( -0.567 -0.000 -37.310) 37.315 18.668 ( -8.264 -0.000 -2.422) 8.612 19.376 ( 8.484 0.000 6.529) 10.705 19.900 ( 1.566 0.000 2.242) 2.735 20.829 ( 3.897 0.000 -10.740) 11.425 23.074 ( -6.782 -0.000 2.378) 7.187 23.682 ( 6.323 0.000 0.338) 6.332 24.249 ( -4.387 -0.000 51.967) 52.152 ======================= Grid point 250 (103/432) ======================= q-point: ( 0.00 0.00 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -8.137 -0.000 31.976) 32.995 1.535 ( 12.685 0.000 33.580) 35.896 2.634 ( -8.785 -0.000 55.242) 55.936 4.188 ( -3.229 -0.000 -5.319) 6.222 4.320 ( 0.252 0.000 15.064) 15.066 4.974 ( 11.229 0.000 -9.164) 14.493 5.168 ( -3.325 -0.000 14.053) 14.442 5.340 ( -4.211 -0.000 -2.382) 4.838 5.579 ( -11.550 -0.000 13.654) 17.884 5.779 ( -4.234 -0.000 -16.940) 17.461 6.129 ( -5.325 -0.000 -3.205) 6.215 6.985 ( -20.255 -0.000 11.325) 23.206 6.989 ( 3.738 0.000 1.913) 4.199 7.207 ( -6.859 -0.000 -4.296) 8.093 7.308 ( -14.711 -0.000 16.900) 22.406 7.559 ( 2.978 0.000 -4.670) 5.538 8.494 ( 2.444 0.000 11.480) 11.737 9.188 ( -2.081 -0.000 -8.564) 8.813 9.686 ( -8.266 -0.000 -2.826) 8.736 9.718 ( 0.486 0.000 4.748) 4.773 10.208 ( 21.601 0.000 6.806) 22.648 11.047 ( -1.268 -0.000 -4.640) 4.810 11.987 ( 1.314 0.000 -8.606) 8.706 12.245 ( -3.629 -0.000 12.203) 12.731 12.431 ( -1.242 -0.000 -8.232) 8.325 13.097 ( 4.435 0.000 5.195) 6.830 13.436 ( -0.784 -0.000 -3.160) 3.256 15.280 ( -1.831 -0.000 -18.933) 19.022 18.396 ( 5.566 0.000 -6.759) 8.756 19.427 ( 15.107 0.000 -1.351) 15.168 19.488 ( -12.416 -0.000 -2.060) 12.585 19.704 ( 7.028 0.000 -9.597) 11.895 20.810 ( 18.639 0.000 0.676) 18.651 22.978 ( -53.231 -0.000 -6.672) 53.648 23.142 ( -4.856 -0.000 5.906) 7.647 23.758 ( 5.115 0.000 -1.481) 5.325 ======================= Grid point 251 (104/432) ======================= q-point: ( 0.09 0.00 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 1.203 -6.866 31.560) 32.321 2.033 ( 7.807 -5.562 28.974) 30.519 3.293 ( 14.013 -4.831 43.626) 46.076 4.101 ( 1.654 2.093 -6.335) 6.873 4.452 ( -8.921 0.939 18.312) 20.391 4.939 ( 6.308 9.633 -11.568) 16.322 5.189 ( -3.787 6.834 0.627) 7.838 5.294 ( -3.982 -7.610 -7.250) 11.239 5.599 ( 4.792 1.283 -2.051) 5.368 5.693 ( -1.426 -1.546 15.662) 15.803 5.994 ( -14.652 -3.054 1.180) 15.014 6.730 ( -19.984 11.254 15.871) 27.891 7.015 ( 0.932 2.407 -3.252) 4.152 7.054 ( -12.977 -0.443 2.435) 13.211 7.370 ( -2.511 -2.789 7.611) 8.486 7.671 ( 1.443 1.344 7.540) 7.793 8.649 ( -1.165 -1.634 11.510) 11.684 9.161 ( 3.128 -8.269 -2.085) 9.083 9.559 ( -2.281 2.148 -4.580) 5.550 9.750 ( -1.867 0.739 1.666) 2.609 10.529 ( 21.457 11.963 3.284) 24.785 11.029 ( -1.782 -17.544 -4.875) 18.296 11.924 ( 4.766 -0.379 -9.239) 10.403 12.199 ( -2.932 15.197 0.890) 15.503 12.495 ( 0.237 -17.130 3.792) 17.547 13.239 ( 6.747 -0.726 5.384) 8.662 13.378 ( -2.494 -0.624 -3.376) 4.243 14.985 ( -5.813 2.945 -20.797) 21.795 18.409 ( 10.287 4.451 -5.027) 12.284 19.063 ( -20.616 16.851 -9.309) 28.207 19.367 ( -16.333 -16.295 -5.994) 23.838 19.804 ( 4.738 -0.815 -5.145) 7.042 21.090 ( 18.404 3.826 7.788) 20.347 22.427 ( -14.630 10.495 -2.025) 18.118 23.211 ( -5.258 -13.040 1.498) 14.139 23.808 ( 4.432 -0.213 -0.958) 4.539 ======================= Grid point 252 (105/432) ======================= q-point: ( 0.18 0.00 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 7.399 -7.303 27.521) 29.419 2.527 ( 9.453 -11.080 26.230) 30.002 3.901 ( 12.441 1.638 18.449) 22.312 4.065 ( 4.269 1.078 0.143) 4.405 4.495 ( -10.227 0.341 13.217) 16.715 4.747 ( 1.652 13.948 -10.987) 17.833 4.993 ( -6.976 3.644 -12.299) 14.602 5.215 ( 1.095 -8.553 -8.079) 11.816 5.761 ( 5.255 -3.163 -0.208) 6.137 5.815 ( -2.052 -2.353 11.208) 11.635 6.016 ( -3.468 1.124 27.333) 27.575 6.692 ( -5.875 4.148 14.371) 16.070 6.857 ( -7.435 0.625 -6.966) 10.208 6.997 ( -8.327 2.957 7.208) 11.404 7.362 ( -3.582 -0.936 -6.404) 7.398 7.739 ( -4.705 9.430 18.102) 20.946 8.747 ( -4.874 -4.459 8.491) 10.758 9.280 ( -0.862 -3.925 3.196) 5.134 9.541 ( 5.980 -5.944 -1.898) 8.643 9.713 ( -0.400 3.430 0.599) 3.505 10.597 ( 5.816 10.129 -2.341) 11.912 11.202 ( 6.581 -17.878 -0.183) 19.052 11.865 ( 2.395 4.182 -10.781) 11.810 12.057 ( 1.905 7.347 -2.553) 8.008 12.701 ( 0.032 -14.257 7.180) 15.963 13.272 ( -3.938 2.252 -3.142) 5.519 13.432 ( 7.843 -2.933 5.608) 10.078 14.631 ( -7.380 4.485 -19.724) 21.532 18.470 ( 12.765 5.126 -3.977) 14.319 18.567 ( -17.769 14.262 -9.043) 24.514 19.224 ( -16.226 -17.585 -6.043) 24.678 19.708 ( -9.547 1.126 -3.371) 10.188 21.363 ( 14.384 9.427 10.256) 20.024 22.286 ( 4.475 -0.479 -6.682) 8.057 23.255 ( -2.325 -9.099 -0.725) 9.419 23.851 ( 3.519 0.566 -0.581) 3.611 ======================= Grid point 253 (106/432) ======================= q-point: ( 0.27 0.00 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 7.461 -3.442 21.171) 22.709 3.052 ( 10.915 -14.046 23.486) 29.463 3.899 ( 1.002 10.251 -7.133) 12.529 4.130 ( -7.081 7.456 5.559) 11.689 4.474 ( -0.799 13.671 -8.382) 16.056 4.589 ( 0.723 -4.700 -6.045) 7.691 4.859 ( 2.168 -9.480 0.005) 9.724 5.250 ( 2.432 -8.689 -5.667) 10.655 5.760 ( -6.595 -7.274 2.825) 10.217 6.026 ( 2.163 3.584 15.243) 15.807 6.287 ( 0.740 1.715 18.280) 18.375 6.671 ( -1.171 -1.138 -8.388) 8.546 6.816 ( -3.583 1.187 15.592) 16.043 6.948 ( -8.710 2.847 8.910) 12.782 7.177 ( -9.354 5.466 -4.605) 11.772 7.825 ( 1.471 9.515 14.541) 17.440 8.792 ( -10.865 -8.665 7.741) 15.907 9.257 ( -4.879 3.525 3.010) 6.730 9.545 ( -1.966 4.789 -3.643) 6.330 9.900 ( 13.739 -8.971 7.652) 18.105 10.547 ( -1.419 -2.609 -3.421) 4.530 11.339 ( 1.785 4.882 -4.135) 6.642 11.754 ( 5.193 -2.230 -3.684) 6.746 12.079 ( 8.557 1.004 -2.773) 9.051 12.868 ( -2.167 -9.851 6.382) 11.936 13.136 ( -7.099 4.050 -2.911) 8.676 13.640 ( 9.326 -4.746 3.575) 11.058 14.304 ( -5.615 4.307 -14.287) 15.944 18.189 ( -11.054 8.696 -7.290) 15.841 18.537 ( 11.050 3.990 -6.152) 13.261 19.120 ( -10.648 -15.300 -4.464) 19.167 19.513 ( -13.734 0.480 -1.393) 13.813 21.494 ( 8.623 15.091 3.752) 17.781 22.370 ( 9.633 -9.831 -3.272) 14.148 23.298 ( 1.603 -6.314 -1.651) 6.720 23.873 ( 2.233 2.314 -0.042) 3.217 ======================= Grid point 254 (107/432) ======================= q-point: ( 0.36 0.00 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( -2.404 6.154 10.589) 12.481 3.523 ( 3.347 -9.292 17.023) 19.680 3.743 ( -1.332 5.673 -1.425) 5.999 3.989 ( -3.014 5.468 -0.869) 6.304 4.220 ( -4.808 9.577 -8.469) 13.658 4.575 ( 8.035 -5.385 -12.361) 15.695 5.065 ( 3.562 -11.413 2.347) 12.184 5.278 ( -0.029 -11.774 -4.153) 12.485 5.744 ( -10.778 -5.343 3.133) 12.431 6.110 ( -7.496 2.984 10.337) 13.113 6.278 ( -5.145 1.920 -7.717) 9.472 6.617 ( 0.179 5.448 -7.048) 8.910 6.916 ( -3.618 3.969 12.076) 13.217 6.955 ( -3.573 -2.198 5.506) 6.921 7.104 ( -7.134 5.142 27.562) 28.931 7.939 ( 9.527 5.155 2.292) 11.072 8.793 ( -15.498 -6.282 11.610) 20.358 9.197 ( -6.201 2.004 3.720) 7.504 9.430 ( -0.140 7.466 -3.580) 8.281 10.168 ( 3.384 -4.494 2.280) 6.070 10.595 ( 3.161 -14.663 1.318) 15.058 11.120 ( -0.623 20.438 -7.841) 21.900 11.950 ( 10.617 -6.545 5.720) 13.721 12.160 ( 8.033 -0.425 -1.897) 8.265 12.927 ( -2.972 4.653 1.046) 5.620 13.003 ( -6.503 -4.086 2.111) 7.965 13.714 ( -0.396 -1.234 -10.398) 10.478 14.203 ( 6.194 -2.036 2.459) 6.968 17.956 ( -6.176 2.230 -7.815) 10.207 18.535 ( 5.820 1.335 -7.940) 9.935 19.117 ( -3.580 -10.428 0.344) 11.030 19.353 ( -9.035 -1.908 0.003) 9.234 21.442 ( 5.842 15.358 -5.482) 17.322 22.577 ( 5.391 -13.147 3.448) 14.622 23.369 ( 6.040 -4.103 -2.002) 7.571 23.870 ( 0.928 4.592 1.211) 4.839 ======================= Grid point 255 (108/432) ======================= q-point: (-0.55 0.00 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( -15.591 15.521 1.434) 22.046 3.394 ( -20.496 13.960 1.381) 24.837 3.838 ( 1.739 -2.965 4.378) 5.567 4.026 ( -2.805 -0.240 -3.989) 4.882 4.169 ( 13.028 -10.054 4.812) 17.145 4.586 ( 7.874 -4.827 -11.821) 15.001 5.043 ( -12.199 -0.044 -3.722) 12.755 5.383 ( 2.810 -12.546 -4.813) 13.729 5.665 ( -14.443 -13.363 1.445) 19.729 6.027 ( -7.955 3.325 -0.738) 8.654 6.113 ( -5.466 0.989 -2.934) 6.282 6.433 ( -3.096 11.790 -2.641) 12.472 6.984 ( -2.500 2.836 10.128) 10.810 6.996 ( -3.733 -1.093 6.626) 7.683 7.374 ( -4.885 -1.689 29.444) 29.894 8.006 ( 8.416 1.631 -6.625) 10.834 8.757 ( -13.158 5.181 13.275) 19.396 9.165 ( -6.549 -4.916 3.875) 9.059 9.361 ( 3.828 6.026 -2.315) 7.506 10.089 ( -12.747 -4.254 -7.130) 15.212 10.847 ( 8.622 -1.640 4.926) 10.065 10.927 ( 6.335 8.670 -2.855) 11.111 12.144 ( 4.861 0.114 2.455) 5.447 12.258 ( 3.295 1.225 6.120) 7.058 12.851 ( 4.130 6.034 -0.461) 7.327 13.045 ( -1.912 -6.028 3.746) 7.350 13.503 ( -6.958 3.069 -11.746) 13.992 14.449 ( 13.220 -7.196 6.641) 16.451 17.756 ( -5.969 -1.474 -14.914) 16.131 18.559 ( 7.212 -1.759 -0.238) 7.427 19.134 ( -9.874 -6.383 3.674) 12.318 19.362 ( 7.075 -3.857 -0.120) 8.059 21.290 ( 5.111 13.373 -11.841) 18.578 22.767 ( -3.197 -14.265 6.279) 15.910 23.477 ( 9.849 -2.002 -2.086) 10.265 23.861 ( 0.336 6.215 4.761) 7.836 ======================= Grid point 256 (109/432) ======================= q-point: (-0.45 0.00 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( -22.793 17.497 3.242) 28.917 2.956 ( -25.292 19.099 -0.598) 31.699 3.854 ( -4.553 3.149 -4.187) 6.941 4.011 ( -0.126 -7.959 0.938) 8.015 4.381 ( -3.851 -8.501 -2.109) 9.568 4.569 ( -3.778 -2.568 -6.008) 7.547 4.810 ( -5.891 -1.761 0.221) 6.153 5.383 ( -10.627 -9.251 -1.566) 14.176 5.644 ( 1.462 -8.132 -6.535) 10.534 5.938 ( -2.484 -0.444 -0.603) 2.594 6.050 ( -1.636 -1.688 -0.218) 2.361 6.352 ( -2.275 4.187 6.787) 8.293 6.986 ( -6.318 -1.383 2.259) 6.851 7.036 ( -4.648 2.473 9.335) 10.717 7.614 ( -8.431 -4.514 21.605) 23.627 7.987 ( 1.226 0.630 -5.002) 5.189 8.672 ( -5.462 13.734 7.810) 16.717 9.198 ( -6.263 -12.352 2.943) 14.159 9.372 ( 8.322 6.950 -0.560) 10.857 9.848 ( -12.624 -0.759 -6.377) 14.164 10.816 ( 3.006 9.513 -0.492) 9.989 11.128 ( 9.475 -6.622 1.492) 11.655 12.158 ( -1.721 2.574 0.166) 3.101 12.295 ( -5.717 8.019 10.610) 14.476 12.934 ( 12.399 1.856 -5.047) 13.515 13.140 ( 2.479 -5.760 3.992) 7.434 13.292 ( -5.386 4.856 -0.393) 7.263 14.767 ( 15.373 -8.487 4.393) 18.101 17.479 ( -6.331 -1.890 -21.456) 22.450 18.746 ( 9.025 -4.773 7.727) 12.804 19.085 ( -7.267 -1.218 2.796) 7.881 19.535 ( 11.313 -4.816 1.231) 12.357 21.091 ( 4.606 11.332 -15.800) 19.981 22.864 ( -10.720 -15.086 5.295) 19.249 23.579 ( 9.614 1.366 -4.169) 10.568 23.925 ( 1.848 3.940 13.317) 14.010 ======================= Grid point 257 (110/432) ======================= q-point: (-0.36 0.00 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -26.751 15.845 10.539) 32.829 2.425 ( -28.668 19.608 -2.941) 34.857 3.463 ( -27.916 20.198 -7.744) 35.316 4.139 ( -4.387 -8.725 5.756) 11.336 4.258 ( -8.304 -8.383 4.449) 12.611 4.529 ( -4.357 -10.896 -3.151) 12.151 4.879 ( 1.396 -4.388 0.093) 4.606 5.278 ( -9.946 -2.711 1.520) 10.420 5.704 ( 6.642 -3.974 -1.632) 7.910 5.929 ( 1.439 -4.997 -2.990) 5.999 6.098 ( 4.363 -2.387 1.359) 5.155 6.421 ( -2.639 -4.494 7.853) 9.425 6.913 ( -10.565 -3.588 1.441) 11.251 7.031 ( -5.953 1.310 4.168) 7.384 7.703 ( -13.631 -3.577 12.428) 18.789 7.930 ( -1.833 2.025 -1.088) 2.940 8.593 ( 1.947 13.676 2.902) 14.115 9.267 ( -5.820 -15.173 3.296) 16.581 9.433 ( 11.210 7.047 -1.791) 13.362 9.677 ( -5.475 4.254 -0.042) 6.934 10.782 ( -1.478 -4.045 -3.711) 5.685 11.251 ( 5.562 1.858 -0.476) 5.884 12.084 ( -7.259 2.426 1.622) 7.824 12.268 ( -6.604 6.007 9.855) 13.297 12.880 ( -0.406 0.813 -10.915) 10.953 13.273 ( 3.280 -5.630 3.545) 7.418 13.379 ( 12.152 9.622 12.231) 19.745 15.074 ( 16.165 -8.761 0.344) 18.389 17.159 ( -6.096 -0.339 -20.475) 21.366 18.933 ( -3.468 -4.015 2.719) 5.961 19.105 ( 9.404 3.725 7.883) 12.824 19.736 ( 10.490 -3.871 1.910) 11.344 20.872 ( 4.165 8.710 -17.227) 19.748 22.878 ( -15.397 -17.125 4.229) 23.414 23.610 ( 8.023 4.302 -4.938) 10.356 24.141 ( 2.639 -0.855 19.829) 20.022 ======================= Grid point 258 (111/432) ======================= q-point: (-0.27 0.00 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -27.626 13.827 17.513) 35.512 1.813 ( -34.722 14.883 -7.803) 38.575 2.811 ( -39.493 29.184 13.899) 51.035 4.142 ( -8.045 -5.216 5.370) 10.989 4.424 ( -2.226 -13.354 7.122) 15.298 4.522 ( -5.713 -12.090 -1.098) 13.417 4.896 ( -1.302 -1.117 1.988) 2.626 5.233 ( -2.328 2.680 3.378) 4.900 5.854 ( 8.494 -6.465 5.550) 12.031 5.996 ( 2.007 -9.808 -1.797) 10.171 6.190 ( 3.640 -0.487 1.833) 4.104 6.490 ( -3.510 -8.014 -0.081) 8.750 6.830 ( -6.359 -4.776 -2.349) 8.293 6.956 ( -10.342 -1.731 2.625) 10.810 7.605 ( -18.340 2.012 8.816) 20.448 7.931 ( 1.683 -1.018 1.954) 2.773 8.559 ( 7.434 11.582 -1.714) 13.869 9.382 ( -3.120 -11.762 6.476) 13.785 9.482 ( 8.223 0.635 -6.582) 10.552 9.613 ( 2.054 12.459 3.657) 13.146 10.736 ( -9.453 -15.822 -8.721) 20.390 11.251 ( 3.404 9.637 0.186) 10.222 11.994 ( -9.480 -3.645 2.169) 10.386 12.245 ( -8.106 0.627 6.775) 10.583 12.773 ( -1.407 -0.291 -4.009) 4.258 13.388 ( 2.864 -4.920 1.237) 5.826 13.561 ( 15.633 18.395 2.929) 24.317 15.320 ( 14.520 -8.182 -5.347) 17.504 16.948 ( -2.157 0.533 0.462) 2.270 18.859 ( -1.470 6.987 -3.381) 7.899 19.335 ( 9.434 0.588 8.781) 12.902 19.896 ( 7.302 -0.324 2.295) 7.661 20.682 ( 5.169 4.210 -16.192) 17.510 22.870 ( -18.108 -21.384 5.314) 28.521 23.625 ( 8.149 4.190 -4.136) 10.053 24.420 ( 0.958 -5.579 18.132) 18.996 ======================= Grid point 259 (112/432) ======================= q-point: (-0.18 0.00 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -35.040 12.856 -0.465) 37.327 1.241 ( -24.033 14.887 20.920) 35.168 2.393 ( -40.559 23.220 43.485) 63.836 4.132 ( -5.902 -2.909 2.695) 7.111 4.404 ( -9.852 -6.939 -2.525) 12.312 4.718 ( 2.099 -14.094 12.330) 18.843 4.924 ( 1.231 -4.966 -2.378) 5.642 5.243 ( -0.123 8.851 10.561) 13.780 5.990 ( -6.322 -10.753 -7.619) 14.617 6.153 ( 1.151 -5.316 -0.420) 5.455 6.271 ( 6.276 -3.628 5.946) 9.376 6.408 ( 1.271 -3.926 -6.863) 8.008 6.806 ( 7.535 4.754 -0.821) 8.947 6.936 ( -16.016 -19.681 8.881) 26.884 7.471 ( -16.118 3.298 11.381) 20.005 8.003 ( 1.089 -5.320 1.162) 5.554 8.522 ( 10.480 13.485 -9.284) 19.439 9.452 ( 0.421 5.761 -2.151) 6.164 9.499 ( 2.941 -7.222 -3.183) 8.423 9.636 ( 6.898 7.871 7.413) 12.825 10.527 ( -26.454 -16.292 -13.342) 33.812 11.205 ( 3.886 12.769 -0.277) 13.351 11.985 ( -7.062 -13.905 2.997) 15.881 12.193 ( -9.577 -3.989 1.991) 10.564 12.745 ( -0.692 0.433 -0.767) 1.120 13.395 ( 2.911 21.335 -18.102) 28.131 13.463 ( 4.866 7.036 -1.771) 8.736 15.452 ( 9.501 -6.828 -9.713) 15.207 17.329 ( 21.859 -12.869 39.990) 47.356 18.739 ( 7.040 16.887 -4.868) 18.932 19.503 ( 3.113 -1.976 5.128) 6.316 19.965 ( 2.152 4.773 1.481) 5.441 20.585 ( 9.013 -0.479 -13.542) 16.274 22.904 ( -18.564 -26.705 7.532) 33.384 23.658 ( 7.921 2.843 -3.262) 9.025 24.564 ( -8.932 -7.711 -2.671) 12.099 ======================= Grid point 260 (113/432) ======================= q-point: (-0.09 0.00 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 2.752 8.086 33.402) 34.477 1.116 ( -17.687 11.759 26.418) 33.897 2.340 ( -35.216 9.564 55.590) 66.497 4.157 ( -0.307 -1.135 8.531) 8.612 4.299 ( -7.303 -2.446 -3.049) 8.283 4.919 ( 10.257 -3.177 -8.288) 13.564 5.016 ( -3.986 -11.214 12.516) 17.271 5.331 ( -0.039 6.648 14.005) 15.503 5.750 ( -19.520 -4.456 -9.438) 22.135 6.016 ( -4.889 -0.039 -13.034) 13.920 6.213 ( -0.808 1.867 -4.076) 4.556 6.815 ( 18.978 -3.651 11.086) 22.280 6.900 ( 8.866 1.843 2.612) 9.424 7.060 ( -12.296 -31.326 9.617) 35.000 7.375 ( -13.692 4.842 10.553) 17.952 7.936 ( -13.365 0.535 -15.260) 20.292 8.399 ( 5.419 12.984 -0.600) 14.082 9.340 ( -1.165 5.857 -7.040) 9.231 9.593 ( 2.680 -9.013 2.233) 9.665 9.780 ( 10.571 11.257 6.888) 16.909 10.097 ( -28.864 -8.989 -2.855) 30.366 11.130 ( 2.080 9.943 -2.712) 10.514 12.052 ( 1.368 -4.057 -4.740) 6.387 12.149 ( -11.448 -14.459 5.878) 19.356 12.629 ( -1.721 14.197 -8.428) 16.600 13.062 ( 0.844 13.619 -1.126) 13.691 13.466 ( 0.936 0.051 -2.148) 2.344 15.446 ( 3.657 -3.784 -14.532) 15.455 18.276 ( 14.930 -28.746 9.548) 33.770 18.823 ( 45.353 22.792 12.756) 52.336 19.562 ( -5.151 -6.516 1.045) 8.372 19.890 ( -3.555 7.833 -4.344) 9.637 20.624 ( 14.435 -1.554 -7.509) 16.345 23.002 ( -16.561 -29.939 7.389) 35.003 23.702 ( 6.533 1.797 -2.749) 7.312 24.035 ( -45.315 12.199 -24.026) 52.721 ======================= Grid point 262 (114/432) ======================= q-point: ( 0.09 0.09 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 8.060 0.000 31.614) 32.625 2.424 ( 6.864 0.000 27.717) 28.555 3.903 ( 16.811 0.000 27.301) 32.061 4.087 ( 6.263 0.000 -6.976) 9.375 4.496 ( -13.413 -0.000 12.398) 18.265 4.916 ( 1.829 0.000 -10.973) 11.125 5.027 ( -10.777 -0.000 -14.529) 18.090 5.099 ( 4.333 0.000 -11.820) 12.589 5.722 ( -9.371 -0.000 -1.638) 9.513 5.797 ( 9.971 0.000 13.825) 17.046 6.023 ( -1.624 -0.000 27.162) 27.210 6.748 ( -12.125 -0.000 17.580) 21.356 6.843 ( -7.145 -0.000 -10.039) 12.322 7.035 ( -4.580 -0.000 4.605) 6.495 7.335 ( -6.005 -0.000 -3.314) 6.858 7.843 ( -4.233 -0.000 22.309) 22.707 8.691 ( -10.285 -0.000 8.547) 13.373 9.229 ( 5.683 0.000 6.532) 8.658 9.500 ( 4.883 0.000 -5.292) 7.201 9.745 ( 0.418 0.000 -1.367) 1.429 10.766 ( -8.715 -0.000 -8.357) 12.074 10.971 ( 23.413 0.000 5.978) 24.164 11.896 ( 7.524 0.000 -11.212) 13.502 12.174 ( -0.413 -0.000 -8.870) 8.879 12.529 ( -2.308 -0.000 14.398) 14.582 13.294 ( -3.870 -0.000 -3.376) 5.136 13.406 ( 8.827 0.000 5.616) 10.462 14.669 ( -8.563 -0.000 -19.486) 21.285 18.510 ( 13.329 0.000 -7.510) 15.299 18.765 ( -20.976 -0.000 -11.120) 23.742 18.999 ( -16.411 -0.000 -1.466) 16.476 19.718 ( -8.607 -0.000 -4.066) 9.519 21.455 ( 16.820 0.000 12.007) 20.666 22.283 ( -0.928 -0.000 -10.961) 11.000 23.168 ( -0.015 -0.000 2.202) 2.202 23.855 ( 4.217 0.000 -0.629) 4.264 ======================= Grid point 263 (115/432) ======================= q-point: ( 0.18 0.09 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( 11.419 0.681 27.398) 29.690 2.849 ( 6.802 -8.093 25.576) 27.675 4.061 ( 4.639 7.392 -7.563) 11.548 4.214 ( -4.557 2.215 5.648) 7.587 4.492 ( 4.443 -3.667 4.403) 7.250 4.718 ( -7.664 -1.138 -15.295) 17.146 4.744 ( -1.542 9.505 -8.398) 12.777 5.080 ( 1.825 -10.765 -11.191) 15.635 5.674 ( -5.510 -2.663 8.175) 10.212 6.061 ( 4.258 0.857 13.462) 14.146 6.312 ( 1.510 1.043 19.851) 19.936 6.640 ( -5.970 -1.575 -10.107) 11.843 6.832 ( -4.144 0.560 14.732) 15.313 7.021 ( -3.926 4.458 6.269) 8.636 7.190 ( -9.649 -2.217 -1.658) 10.038 8.016 ( -5.730 10.125 24.646) 27.254 8.608 ( -16.052 -9.974 2.811) 19.106 9.287 ( -5.807 0.694 4.649) 7.471 9.650 ( 11.400 6.557 0.364) 13.157 9.772 ( 10.088 -6.537 2.713) 12.323 10.537 ( -8.969 0.378 -8.167) 12.136 11.347 ( 19.165 -1.630 6.691) 20.365 11.807 ( 4.856 4.547 -14.090) 15.581 12.118 ( 5.703 3.186 -2.932) 7.161 12.678 ( -4.772 -9.396 11.366) 15.500 13.194 ( -5.199 2.024 -2.585) 6.148 13.586 ( 9.749 -1.633 2.714) 10.250 14.349 ( -8.538 1.271 -14.527) 16.898 18.347 ( -14.079 8.755 -11.577) 20.221 18.554 ( 5.819 -2.266 -10.127) 11.898 18.907 ( -5.554 -7.901 2.940) 10.095 19.522 ( -13.050 0.355 -3.776) 13.590 21.742 ( 10.687 11.978 11.070) 19.499 22.199 ( 5.583 -9.052 -12.079) 16.094 23.218 ( 2.913 -2.762 0.806) 4.094 23.898 ( 3.469 0.775 -0.111) 3.557 ======================= Grid point 264 (116/432) ======================= q-point: ( 0.27 0.09 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( 5.733 7.875 17.947) 20.420 3.303 ( 5.441 -14.295 21.124) 26.080 3.891 ( -2.775 10.252 -5.815) 12.109 4.081 ( -9.003 3.508 -3.952) 10.439 4.377 ( -5.933 4.969 -15.149) 17.011 4.538 ( 4.372 6.035 -6.706) 10.025 4.853 ( 6.857 -12.593 5.454) 15.342 5.057 ( -1.448 -14.826 -9.902) 17.888 5.693 ( -7.964 -1.221 2.852) 8.547 6.150 ( -8.049 1.669 8.028) 11.490 6.335 ( -4.043 5.106 -6.555) 9.240 6.584 ( 0.053 -6.952 -3.589) 7.824 6.919 ( 1.600 -0.137 3.304) 3.674 7.040 ( -2.780 7.119 13.102) 15.168 7.175 ( -10.989 2.067 24.144) 26.607 8.068 ( -0.832 10.734 7.989) 13.407 8.576 ( -16.654 -16.776 10.127) 25.717 9.243 ( -6.356 2.823 5.002) 8.567 9.579 ( -1.792 8.083 -3.762) 9.094 10.118 ( 12.869 -1.443 5.237) 13.968 10.394 ( -1.344 -9.344 -3.211) 9.971 11.474 ( 8.083 20.274 -5.581) 22.528 11.847 ( 13.839 -5.794 4.740) 15.734 12.165 ( 7.411 1.090 -2.017) 7.757 12.806 ( -6.080 -11.490 7.942) 15.234 13.069 ( -5.793 4.982 -1.270) 7.745 13.683 ( 3.903 -1.856 -8.680) 9.696 14.173 ( -0.248 -1.509 -1.400) 2.073 18.012 ( -8.686 3.982 -12.468) 15.708 18.499 ( -1.192 -4.901 -7.350) 8.915 19.002 ( 5.197 -3.181 2.980) 6.783 19.331 ( -9.402 -1.010 -2.616) 9.811 21.729 ( 4.786 18.564 -4.532) 19.699 22.336 ( 4.720 -15.904 1.373) 16.646 23.309 ( 6.447 -2.843 0.537) 7.067 23.927 ( 2.365 2.322 0.855) 3.422 ======================= Grid point 265 (117/432) ======================= q-point: (-0.64 0.09 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( -8.711 16.594 3.051) 18.989 3.517 ( -14.118 -1.831 2.296) 14.420 3.822 ( 2.684 2.650 6.553) 7.561 4.005 ( 1.385 -4.102 3.618) 5.642 4.104 ( -3.914 3.673 -9.411) 10.834 4.516 ( 6.255 -2.060 -8.592) 10.825 4.973 ( -7.627 -9.204 -0.735) 11.976 5.164 ( 8.420 -13.930 -1.457) 16.342 5.516 ( -17.210 -2.513 -6.304) 18.500 6.055 ( -12.344 -0.041 2.897) 12.680 6.161 ( -1.289 4.893 -8.286) 9.709 6.518 ( -4.663 -1.775 -7.274) 8.821 6.990 ( 1.990 1.267 4.254) 4.865 7.076 ( -2.831 7.022 10.387) 12.853 7.367 ( -12.357 0.419 33.317) 35.537 8.034 ( 2.340 1.896 -5.457) 6.233 8.658 ( -12.203 -12.199 13.588) 21.963 9.189 ( -6.939 4.957 5.875) 10.356 9.458 ( -1.320 3.864 -2.780) 4.940 10.040 ( -10.051 -0.522 -8.556) 13.209 10.696 ( 17.414 -8.563 8.345) 21.123 11.301 ( 6.075 26.269 -3.730) 27.219 12.138 ( 10.209 -1.054 4.140) 11.067 12.256 ( 7.428 -0.976 5.477) 9.280 12.899 ( -4.677 -9.922 4.846) 11.992 12.961 ( -1.395 5.114 0.527) 5.327 13.526 ( -5.225 0.136 -13.547) 14.520 14.325 ( 10.753 -7.191 4.560) 13.716 17.740 ( -6.949 -0.489 -16.439) 17.854 18.495 ( 1.274 -5.164 0.957) 5.404 19.091 ( 0.325 0.813 2.732) 2.869 19.297 ( 6.043 -4.100 -1.648) 7.486 21.535 ( 3.131 15.499 -12.110) 19.916 22.524 ( -3.058 -14.760 5.625) 16.089 23.443 ( 9.264 -1.897 1.352) 9.552 23.945 ( 1.505 3.863 2.799) 5.002 ======================= Grid point 266 (118/432) ======================= q-point: (-0.55 0.09 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( -16.645 20.187 -0.359) 26.167 3.190 ( -22.866 8.548 -5.978) 25.132 3.883 ( -3.759 -3.322 -1.766) 5.318 3.954 ( 0.543 4.794 5.215) 7.104 4.203 ( -0.630 -12.193 -0.534) 12.221 4.544 ( 4.054 -1.205 -2.731) 5.035 4.822 ( -16.765 2.033 -1.602) 16.964 5.233 ( -11.379 -6.392 -2.998) 13.391 5.399 ( 3.601 -18.552 -3.392) 19.201 5.932 ( -9.010 -1.459 -1.373) 9.230 6.062 ( 2.872 3.455 -3.343) 5.600 6.387 ( -6.532 -1.296 -3.256) 7.413 7.008 ( -2.723 3.443 2.758) 5.184 7.090 ( -4.061 3.837 7.056) 9.000 7.553 ( -14.830 -2.555 27.546) 31.389 7.986 ( 0.491 -0.814 -4.865) 4.957 8.721 ( -7.578 -6.565 4.877) 11.150 9.125 ( -6.292 3.459 5.386) 8.975 9.441 ( 2.789 0.405 0.531) 2.867 9.808 ( -10.800 -2.253 -7.758) 13.487 11.035 ( 12.948 -1.802 3.273) 13.476 11.128 ( 5.398 23.628 1.147) 24.264 12.197 ( 3.080 1.937 -2.715) 4.539 12.418 ( -3.559 5.770 13.552) 15.153 12.945 ( 5.207 -2.963 -3.749) 7.067 13.038 ( 5.007 -4.061 4.807) 8.042 13.325 ( -5.228 -0.376 -4.609) 6.979 14.605 ( 14.393 -10.471 1.812) 17.891 17.451 ( -6.853 -1.362 -19.625) 20.832 18.646 ( 4.690 -6.216 9.130) 12.000 19.110 ( 2.979 3.548 2.168) 5.115 19.456 ( 12.894 -4.740 -0.811) 13.762 21.291 ( 1.962 12.416 -15.735) 20.139 22.615 ( -10.889 -14.563 4.668) 18.774 23.592 ( 9.245 0.253 1.166) 9.322 23.987 ( 1.629 3.287 7.517) 8.364 ======================= Grid point 267 (119/432) ======================= q-point: (-0.45 0.09 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( -19.617 21.262 5.054) 29.367 2.685 ( -27.141 12.088 -10.340) 31.459 3.806 ( -12.334 12.373 2.711) 17.679 3.992 ( 0.833 -2.559 4.921) 5.609 4.155 ( -12.951 -5.885 -3.019) 14.543 4.376 ( -14.999 -4.252 -0.880) 15.615 4.781 ( 0.289 -6.685 1.301) 6.817 5.186 ( -7.259 -8.160 4.933) 11.984 5.565 ( 8.086 -13.348 -5.370) 16.504 5.821 ( -7.840 -5.367 -3.166) 10.015 6.100 ( 7.251 2.497 1.485) 7.811 6.322 ( -5.984 -7.720 -0.462) 9.779 6.924 ( -9.891 4.058 2.385) 10.954 7.061 ( -5.828 1.693 3.573) 7.043 7.640 ( -15.943 -3.374 17.950) 24.243 7.952 ( -0.726 0.186 -1.562) 1.732 8.694 ( -2.635 -2.190 -2.906) 4.493 9.113 ( -4.538 -1.995 6.480) 8.158 9.486 ( 3.907 0.846 -2.309) 4.617 9.684 ( -5.504 -5.408 1.270) 7.820 10.901 ( -0.740 19.400 -4.983) 20.043 11.288 ( 10.087 2.631 5.116) 11.612 12.152 ( -1.481 4.360 -2.221) 5.112 12.393 ( -10.406 8.195 11.310) 17.417 12.898 ( 0.759 1.007 -12.390) 12.454 13.157 ( 0.798 -8.253 2.982) 8.811 13.456 ( 13.547 0.471 11.633) 17.863 14.894 ( 15.706 -12.470 -2.740) 20.240 17.156 ( -5.955 0.016 -17.243) 18.243 18.867 ( 3.640 -3.636 9.389) 10.706 19.185 ( 10.645 5.678 3.477) 12.556 19.668 ( 14.174 -4.285 0.146) 14.808 21.026 ( 0.730 9.506 -17.526) 19.952 22.600 ( -17.142 -15.794 3.054) 23.508 23.678 ( 7.090 3.827 -1.404) 8.179 24.126 ( 1.982 -0.916 13.942) 14.112 ======================= Grid point 268 (120/432) ======================= q-point: (-0.36 0.09 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -20.197 21.101 13.018) 31.978 2.062 ( -31.262 15.111 -11.540) 36.590 3.363 ( -28.665 34.387 11.219) 46.152 4.062 ( -5.329 -3.843 2.936) 7.196 4.169 ( -2.795 -16.134 7.933) 18.194 4.304 ( -10.077 -13.852 -0.445) 17.136 4.837 ( -1.639 -6.019 1.360) 6.385 5.253 ( -0.898 -0.765 8.152) 8.237 5.709 ( 6.670 -10.769 -2.861) 12.986 5.776 ( -6.225 -14.833 -2.700) 16.311 6.202 ( 4.380 1.870 4.237) 6.374 6.331 ( -2.759 -10.566 -2.438) 11.189 6.768 ( -15.626 0.125 4.637) 16.301 6.996 ( -4.030 2.011 -1.199) 4.660 7.597 ( -19.242 -1.557 11.210) 22.324 7.942 ( 2.715 0.872 -0.693) 2.935 8.653 ( 3.229 0.164 -5.737) 6.585 9.198 ( -2.283 -8.393 7.854) 11.720 9.480 ( 2.321 0.733 -2.186) 3.272 9.745 ( -0.334 -4.338 4.620) 6.346 10.644 ( -7.753 12.045 -7.565) 16.200 11.398 ( 6.275 7.753 3.842) 10.689 12.041 ( -5.884 6.741 -0.302) 8.953 12.306 ( -9.329 5.397 6.321) 12.494 12.776 ( -0.389 0.732 -5.920) 5.977 13.273 ( 1.669 -8.858 0.874) 9.056 13.747 ( 15.817 4.986 5.426) 17.450 15.139 ( 14.865 -13.188 -8.495) 21.611 16.959 ( -2.613 0.780 -2.822) 3.924 18.978 ( 6.965 6.634 1.657) 9.760 19.354 ( 9.730 1.868 5.286) 11.229 19.889 ( 14.044 -0.653 2.391) 14.261 20.766 ( 0.449 5.607 -17.523) 18.404 22.523 ( -22.197 -19.162 3.699) 29.556 23.702 ( 6.251 4.992 -2.268) 8.315 24.332 ( -0.632 -4.953 14.179) 15.032 ======================= Grid point 269 (121/432) ======================= q-point: (-0.27 0.09 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -26.059 20.257 0.814) 33.017 1.545 ( -18.049 20.967 19.147) 33.645 2.891 ( -31.869 33.922 27.227) 53.923 4.073 ( -4.178 -3.861 3.681) 6.776 4.246 ( -7.398 -11.179 -1.365) 13.475 4.441 ( -2.254 -18.058 14.008) 22.965 4.851 ( -0.735 -4.712 -4.129) 6.308 5.349 ( 0.338 3.674 10.319) 10.959 5.774 ( -8.982 -14.683 -5.807) 18.166 5.929 ( 4.740 -19.281 6.548) 20.907 6.220 ( -5.531 -3.699 -0.538) 6.676 6.358 ( 2.015 -0.835 -0.946) 2.377 6.684 ( -11.797 -7.569 8.122) 16.200 6.913 ( 0.871 3.699 -3.576) 5.218 7.475 ( -19.404 -1.279 11.256) 22.469 7.979 ( 3.479 0.317 -0.555) 3.537 8.640 ( 7.690 2.291 -8.183) 11.461 9.322 ( 0.043 -12.140 -0.763) 12.164 9.515 ( 2.615 2.360 4.775) 5.933 9.792 ( -1.661 -0.740 1.588) 2.414 10.336 ( -15.443 5.481 -6.264) 17.544 11.429 ( 5.053 12.590 3.808) 14.091 11.910 ( -7.890 4.452 3.398) 9.675 12.212 ( -6.480 3.197 1.401) 7.361 12.745 ( 0.626 0.134 -0.231) 0.680 13.345 ( 0.418 -7.550 -3.560) 8.358 13.804 ( 9.988 14.428 -13.259) 21.994 15.290 ( 10.674 -12.320 -12.639) 20.627 17.135 ( 8.738 -9.357 24.245) 27.418 19.021 ( 16.860 15.595 -2.776) 23.133 19.465 ( 1.716 -2.392 -0.275) 2.957 20.066 ( 8.466 6.957 5.260) 12.155 20.578 ( 5.008 -0.323 -15.540) 16.330 22.451 ( -26.188 -24.672 7.445) 36.742 23.716 ( 5.900 4.131 -2.120) 7.508 24.447 ( -8.422 -6.183 3.942) 11.167 ======================= Grid point 270 (122/432) ======================= q-point: (-0.18 0.09 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 1.832 19.292 26.728) 33.014 1.410 ( -12.775 21.020 22.331) 33.222 2.642 ( -28.370 25.250 42.519) 57.011 4.117 ( -2.018 -4.160 5.785) 7.406 4.229 ( -4.048 -4.860 0.833) 6.380 4.754 ( -1.488 -17.656 16.264) 24.052 4.838 ( 3.177 -6.973 -7.739) 10.891 5.432 ( 0.194 3.732 9.260) 9.986 5.631 ( -15.938 -8.460 -4.983) 18.719 5.996 ( -6.735 -3.254 -8.013) 10.962 6.266 ( 0.546 4.022 -0.136) 4.061 6.460 ( -10.500 -31.438 12.920) 35.574 6.783 ( 5.557 -3.984 8.930) 11.247 6.915 ( 5.107 -0.390 -0.161) 5.125 7.383 ( -17.872 -1.442 12.464) 21.836 7.964 ( -2.198 2.012 -5.336) 6.111 8.588 ( 6.015 7.310 -9.459) 13.383 9.403 ( 1.580 -9.784 -1.155) 9.978 9.519 ( 1.026 9.001 -3.260) 9.628 9.805 ( -8.924 -15.171 2.050) 17.720 10.069 ( -5.050 15.823 4.038) 17.094 11.385 ( 3.383 17.998 0.325) 18.316 11.895 ( -4.747 -4.959 8.761) 11.130 12.116 ( -4.457 2.320 -1.912) 5.377 12.749 ( 1.124 2.955 -0.991) 3.313 13.285 ( -1.012 2.271 -12.316) 12.565 13.565 ( 2.338 15.644 -9.373) 18.386 15.326 ( 4.712 -10.242 -15.467) 19.140 17.789 ( 14.513 -26.806 23.930) 38.753 19.163 ( 33.080 17.215 -1.104) 37.307 19.432 ( -7.116 -7.825 -6.462) 12.395 20.057 ( -3.085 10.448 0.173) 10.895 20.587 ( 13.542 -2.063 -6.677) 15.239 22.439 ( -28.126 -30.500 11.774) 43.127 23.738 ( 5.240 2.651 -1.745) 6.126 24.205 ( -23.814 6.106 -11.677) 27.217 ======================= Grid point 271 (123/432) ======================= q-point: (-0.09 0.09 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -6.751 16.392 26.944) 32.253 1.622 ( 13.601 10.251 31.018) 35.386 2.762 ( -7.968 14.804 50.773) 53.484 4.143 ( -2.837 -5.034 -3.607) 6.812 4.314 ( -0.702 -0.655 14.334) 14.366 4.882 ( 8.191 -9.591 -10.140) 16.183 5.029 ( -3.564 -13.195 14.794) 20.141 5.438 ( -1.732 7.601 -1.458) 7.931 5.528 ( -10.105 -5.790 10.629) 15.767 5.801 ( -4.625 2.320 -12.252) 13.300 6.172 ( -7.487 3.223 -1.160) 8.233 6.659 ( -19.627 -27.969 13.084) 36.588 6.966 ( 1.927 -3.025 3.081) 4.728 7.085 ( 3.324 -7.957 6.630) 10.877 7.330 ( -8.799 0.676 10.379) 13.624 7.737 ( -6.580 10.768 -7.814) 14.843 8.554 ( 3.325 5.479 4.747) 7.976 9.308 ( -1.752 13.180 -6.536) 14.816 9.552 ( 1.441 -10.201 -0.788) 10.333 9.770 ( -9.971 -3.908 3.360) 11.224 10.161 ( 18.132 1.685 5.545) 19.036 11.236 ( 0.472 18.980 -2.892) 19.205 11.990 ( 2.767 -1.178 -7.199) 7.802 12.057 ( -6.202 -8.873 9.986) 14.728 12.648 ( 0.587 13.526 -5.679) 14.682 13.154 ( 3.030 5.252 -0.158) 6.065 13.450 ( -0.913 2.993 -3.154) 4.443 15.222 ( -1.114 -6.723 -19.106) 20.285 18.250 ( 7.371 -16.039 1.644) 17.728 19.278 ( -15.396 -13.320 -9.295) 22.380 19.510 ( 24.769 4.823 -1.322) 25.268 19.864 ( -3.700 11.594 -6.665) 13.875 20.773 ( 15.686 -3.105 2.445) 16.176 22.476 ( -25.579 -29.475 9.642) 40.200 23.593 ( -22.799 24.646 -8.509) 34.635 23.768 ( 4.601 1.194 -1.313) 4.931 ======================= Grid point 274 (124/432) ======================= q-point: ( 0.18 0.18 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( 12.464 0.000 21.539) 24.886 3.139 ( 1.081 0.000 21.465) 21.492 4.047 ( -1.771 -0.000 -6.664) 6.895 4.048 ( -9.439 -0.000 -7.336) 11.954 4.402 ( -7.664 -0.000 -14.952) 16.802 4.709 ( 7.969 0.000 7.027) 10.624 4.724 ( 1.791 0.000 -5.808) 6.078 4.843 ( -1.505 -0.000 -12.330) 12.421 5.686 ( -6.396 -0.000 2.909) 7.027 6.164 ( -7.419 -0.000 6.702) 9.998 6.431 ( -4.723 -0.000 -11.135) 12.096 6.466 ( -0.924 -0.000 3.426) 3.549 6.921 ( 2.092 0.000 3.413) 4.003 7.117 ( 2.402 0.000 6.416) 6.851 7.176 ( -13.205 -0.000 28.717) 31.608 8.278 ( -7.169 -0.000 25.328) 26.323 8.311 ( -15.852 -0.000 -5.211) 16.687 9.269 ( -6.173 -0.000 5.894) 8.535 9.653 ( -5.765 -0.000 -5.210) 7.770 10.111 ( 25.452 0.000 11.430) 27.901 10.307 ( -9.483 -0.000 -9.257) 13.252 11.710 ( 19.609 0.000 10.615) 22.298 11.753 ( 9.196 0.000 -13.193) 16.081 12.184 ( 6.389 0.000 -1.920) 6.672 12.680 ( -8.589 -0.000 11.146) 14.072 13.112 ( -5.543 -0.000 -1.050) 5.642 13.666 ( 5.411 0.000 -8.331) 9.934 14.159 ( -2.947 -0.000 -2.579) 3.916 18.056 ( -10.455 -0.000 -16.497) 19.531 18.440 ( -3.856 -0.000 -3.194) 5.007 18.983 ( 10.560 0.000 2.115) 10.770 19.321 ( -10.503 -0.000 -3.269) 11.000 22.009 ( 4.168 0.000 -19.223) 19.670 22.080 ( 4.480 0.000 15.481) 16.116 23.284 ( 6.717 0.000 1.505) 6.883 23.947 ( 2.868 0.000 0.717) 2.956 ======================= Grid point 275 (125/432) ======================= q-point: (-0.73 0.18 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.096 ( -3.410 16.025 5.170) 17.180 3.360 ( -6.141 -13.868 6.293) 16.421 3.901 ( -1.317 3.897 1.593) 4.412 3.966 ( -3.882 -0.583 2.221) 4.510 4.154 ( -7.887 1.100 -10.012) 12.793 4.566 ( 1.499 7.856 -7.183) 10.750 4.783 ( -1.706 -11.628 -3.752) 12.337 4.957 ( 7.400 -8.446 0.774) 11.256 5.534 ( -10.812 2.028 -7.030) 13.055 6.047 ( -15.673 -0.517 1.340) 15.739 6.250 ( -0.607 4.695 -9.121) 10.276 6.439 ( -4.942 -5.186 -5.005) 8.739 7.010 ( 3.546 0.760 5.510) 6.596 7.180 ( -1.356 3.935 4.668) 6.254 7.375 ( -15.235 0.333 34.665) 37.867 8.070 ( -6.355 1.889 -5.961) 8.916 8.480 ( -7.643 -6.985 18.276) 21.006 9.252 ( -7.225 2.041 7.073) 10.315 9.485 ( -7.941 0.183 -5.242) 9.517 10.066 ( -8.192 2.133 -10.803) 13.725 10.587 ( 22.290 -3.943 11.686) 25.474 11.696 ( 11.358 17.368 -6.571) 21.768 12.100 ( 15.667 -3.392 9.843) 18.811 12.242 ( 5.720 -0.370 0.303) 5.740 12.719 ( -8.442 -8.383 9.241) 15.065 13.034 ( -3.527 2.601 0.641) 4.429 13.522 ( -3.804 -0.309 -15.243) 15.714 14.233 ( 8.399 -3.138 3.560) 9.647 17.737 ( -7.862 -0.012 -18.219) 19.843 18.423 ( -0.965 -2.554 4.323) 5.113 19.134 ( 9.196 3.403 -0.177) 9.807 19.227 ( 2.077 -3.882 -1.697) 4.719 21.771 ( 2.228 10.697 -18.207) 21.235 22.300 ( -3.471 -10.175 10.737) 15.194 23.419 ( 9.144 -0.789 3.244) 9.735 23.988 ( 2.136 1.314 1.922) 3.160 ======================= Grid point 276 (126/432) ======================= q-point: (-0.64 0.18 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( -12.827 18.663 -2.952) 22.838 3.237 ( -17.733 -2.865 -8.312) 19.793 3.837 ( -8.910 -0.993 -4.128) 9.870 4.004 ( -5.357 -10.582 0.376) 11.866 4.068 ( -0.218 7.005 11.031) 13.069 4.550 ( 8.476 2.246 -0.782) 8.804 4.777 ( -8.123 -6.644 -0.874) 10.530 5.064 ( -4.973 -16.526 -8.356) 19.175 5.293 ( -4.220 8.456 -1.340) 9.545 5.872 ( -12.460 -5.429 -2.258) 13.778 6.140 ( 2.714 5.039 -4.939) 7.560 6.323 ( -8.208 -5.140 -6.921) 11.903 7.078 ( -0.433 4.312 2.805) 5.162 7.144 ( -4.829 1.960 4.100) 6.631 7.529 ( -19.793 -0.520 31.463) 37.174 7.964 ( -0.720 -1.512 -5.521) 5.769 8.601 ( -6.725 -5.611 9.309) 12.782 9.196 ( -8.408 3.706 5.516) 10.717 9.387 ( -4.566 -5.439 -0.510) 7.120 9.817 ( -6.783 2.535 -11.297) 13.419 10.992 ( 17.462 -2.042 9.019) 19.760 11.586 ( 8.062 27.040 -2.572) 28.334 12.226 ( 4.237 1.958 -2.528) 5.308 12.457 ( 3.455 -2.208 12.155) 12.828 12.797 ( -6.588 -10.807 5.855) 13.945 13.052 ( 8.538 2.876 2.762) 9.423 13.300 ( -5.537 -2.030 -10.621) 12.149 14.446 ( 13.119 -7.625 0.143) 15.175 17.435 ( -7.007 -0.621 -18.318) 19.622 18.562 ( 4.245 -3.585 11.228) 12.527 19.184 ( 8.088 4.938 0.806) 9.510 19.376 ( 13.795 -4.877 -2.412) 14.829 21.486 ( 0.095 10.099 -19.033) 21.546 22.396 ( -10.801 -10.964 6.828) 16.837 23.592 ( 8.735 -0.149 5.008) 10.070 24.031 ( 1.795 1.894 3.957) 4.740 ======================= Grid point 277 (127/432) ======================= q-point: (-0.55 0.18 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( -14.554 20.409 0.522) 25.072 2.841 ( -22.181 6.743 -11.626) 25.935 3.731 ( -9.477 -8.622 2.503) 13.055 3.986 ( -10.688 -13.436 -2.281) 17.320 4.100 ( -4.017 4.632 6.475) 8.918 4.508 ( -10.838 15.315 -4.370) 19.264 4.690 ( -4.106 -3.010 0.736) 5.145 5.022 ( -4.081 -11.131 5.726) 13.165 5.343 ( 6.030 -9.310 -1.681) 11.219 5.749 ( -9.137 -5.023 -4.844) 11.497 6.124 ( 0.731 -4.013 -2.774) 4.933 6.204 ( -2.609 -1.739 -2.845) 4.234 7.001 ( -5.858 3.211 -1.078) 6.767 7.092 ( -10.918 3.213 5.384) 12.590 7.597 ( -18.693 -1.821 22.940) 29.648 7.929 ( -0.111 -2.845 -3.617) 4.603 8.618 ( -4.777 -3.876 1.605) 6.358 9.130 ( -6.744 1.968 4.983) 8.613 9.420 ( -2.491 -9.676 1.417) 10.092 9.623 ( -3.275 1.244 -7.162) 7.973 11.242 ( 10.218 8.872 1.486) 13.613 11.429 ( 6.026 23.412 2.953) 24.355 12.209 ( 1.177 2.520 -3.175) 4.221 12.515 ( -10.759 5.553 11.210) 16.501 12.861 ( 1.166 -8.420 -5.571) 10.163 13.040 ( -3.388 -2.889 -4.462) 6.303 13.426 ( 15.039 -3.082 11.444) 19.148 14.684 ( 14.850 -11.694 -4.812) 19.504 17.159 ( -5.703 0.235 -15.075) 16.119 18.817 ( 7.722 -2.221 13.729) 15.908 19.288 ( 13.472 6.467 0.137) 14.944 19.591 ( 16.569 -4.952 -0.908) 17.317 21.177 ( -1.907 8.210 -19.558) 21.297 22.366 ( -17.014 -11.875 3.433) 21.031 23.733 ( 5.975 2.598 3.714) 7.500 24.113 ( 1.746 -0.586 8.006) 8.215 ======================= Grid point 278 (128/432) ======================= q-point: (-0.45 0.18 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( -14.661 21.910 7.346) 27.367 2.317 ( -23.899 15.498 -9.566) 30.048 3.746 ( -13.775 0.069 7.380) 15.627 3.910 ( -12.232 -10.865 1.971) 16.480 4.051 ( -13.669 -8.266 4.498) 16.595 4.184 ( -3.802 16.617 1.028) 17.077 4.710 ( -2.101 -7.923 1.220) 8.287 5.196 ( 1.715 -6.185 9.783) 11.700 5.487 ( 3.668 -13.312 -1.761) 13.920 5.599 ( -9.578 -6.991 -6.364) 13.458 6.116 ( -6.277 -12.717 -2.355) 14.376 6.269 ( 9.114 3.185 3.392) 10.234 6.820 ( -18.348 5.182 3.393) 19.366 6.988 ( -7.308 -2.700 -0.451) 7.804 7.581 ( -17.473 0.031 12.896) 21.716 7.926 ( 2.763 -3.320 -3.758) 5.725 8.620 ( -0.582 -2.243 0.973) 2.513 9.109 ( -4.698 -2.895 3.741) 6.667 9.475 ( -2.933 -7.635 0.533) 8.196 9.570 ( -1.148 -5.612 -0.391) 5.741 11.061 ( 1.219 31.686 -4.656) 32.050 11.510 ( 7.070 6.279 6.770) 11.630 12.144 ( -1.264 4.534 -2.879) 5.518 12.411 ( -12.861 6.884 8.111) 16.691 12.795 ( 1.236 1.047 -7.867) 8.033 13.093 ( -0.321 -12.725 0.629) 12.745 13.769 ( 14.560 -1.146 8.195) 16.748 14.902 ( 14.606 -14.412 -10.099) 22.870 16.972 ( -2.660 0.746 -5.242) 5.925 19.067 ( 11.231 3.929 8.587) 14.673 19.399 ( 10.964 3.405 -2.452) 11.740 19.874 ( 20.228 -1.131 3.821) 20.616 20.860 ( -3.451 5.517 -19.352) 20.417 22.249 ( -21.896 -13.602 2.712) 25.919 23.787 ( 3.956 5.096 1.047) 6.536 24.255 ( -0.473 -4.342 10.057) 10.965 ======================= Grid point 279 (129/432) ======================= q-point: (-0.36 0.18 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( -17.746 22.878 2.588) 29.069 1.921 ( -12.120 23.578 13.941) 29.953 3.418 ( -24.300 25.546 11.262) 37.012 3.947 ( -11.504 -13.816 5.107) 18.690 4.122 ( -4.306 -13.172 9.415) 16.754 4.158 ( 2.056 -1.098 6.676) 7.071 4.754 ( -2.173 -6.898 -2.158) 7.547 5.341 ( -0.586 -6.497 2.228) 6.893 5.533 ( -11.595 -11.692 10.265) 19.404 5.625 ( 3.347 -15.332 -4.213) 16.248 6.124 ( -3.948 -7.523 -0.330) 8.503 6.382 ( 2.282 2.724 3.461) 4.960 6.611 ( -14.788 -2.050 6.281) 16.196 6.928 ( -1.305 -2.242 -4.153) 4.896 7.464 ( -16.547 0.723 8.099) 18.436 7.965 ( 3.905 -2.777 -2.696) 5.498 8.657 ( 3.531 0.809 0.347) 3.639 9.134 ( -2.828 -9.680 -0.559) 10.101 9.491 ( -7.230 -10.142 0.963) 12.492 9.635 ( -0.254 -4.986 4.109) 6.466 10.737 ( -0.416 33.934 -3.379) 34.104 11.599 ( 4.430 7.927 6.594) 11.222 12.037 ( -2.962 7.905 -1.660) 8.604 12.281 ( -9.569 5.429 4.270) 11.801 12.757 ( 2.380 1.358 -1.190) 2.988 13.185 ( -0.066 -11.739 -2.923) 12.098 13.941 ( 8.208 3.365 -4.715) 10.046 15.058 ( 11.784 -15.021 -14.430) 23.931 17.022 ( 3.851 -4.561 12.346) 13.713 19.241 ( 18.435 10.811 0.156) 21.372 19.428 ( 1.812 -1.913 -6.818) 7.310 20.183 ( 16.793 6.628 8.441) 19.930 20.579 ( -0.688 0.539 -18.047) 18.068 22.115 ( -24.379 -15.903 5.948) 29.709 23.793 ( 3.260 5.024 -0.178) 5.991 24.352 ( -6.233 -5.358 5.228) 9.741 ======================= Grid point 280 (130/432) ======================= q-point: (-0.27 0.18 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 0.878 23.782 19.885) 31.012 1.786 ( -7.052 24.028 18.289) 31.009 3.096 ( -20.555 26.345 24.602) 41.495 3.986 ( -6.256 -11.415 3.745) 13.544 4.202 ( 1.654 2.661 7.499) 8.127 4.441 ( -2.069 -19.343 17.751) 26.335 4.719 ( -1.346 -7.022 -7.667) 10.484 5.364 ( -6.748 -12.507 -0.813) 14.234 5.561 ( -7.996 0.759 7.835) 11.220 5.817 ( -3.453 -19.820 5.559) 20.873 6.111 ( -9.165 -7.855 0.586) 12.085 6.339 ( -4.085 3.302 4.322) 6.802 6.692 ( 4.833 -7.184 6.899) 11.071 6.904 ( 2.142 -1.021 -3.207) 3.990 7.362 ( -13.845 -0.424 9.202) 16.629 7.976 ( -0.223 -1.130 -4.213) 4.368 8.673 ( 4.074 4.324 -3.840) 7.073 9.195 ( -0.127 -13.444 -0.678) 13.462 9.495 ( -8.769 -15.277 1.113) 17.650 9.691 ( -0.049 5.044 3.007) 5.872 10.458 ( 1.717 29.859 1.779) 29.962 11.644 ( 2.753 11.220 5.862) 12.955 11.923 ( -2.740 6.974 1.048) 7.566 12.169 ( -6.374 4.257 0.753) 7.701 12.789 ( 3.691 2.434 1.530) 4.679 13.208 ( -0.750 -8.502 -6.824) 10.927 13.816 ( 0.731 11.315 -13.415) 17.565 15.120 ( 6.585 -14.045 -17.018) 23.027 17.423 ( 9.925 -17.082 22.460) 29.912 19.311 ( -4.464 -5.925 -15.004) 16.738 19.404 ( 22.667 11.331 -1.833) 25.407 20.201 ( -6.998 6.021 -3.866) 10.009 20.588 ( 17.535 3.053 -1.001) 17.827 22.046 ( -21.853 -17.469 11.037) 30.075 23.791 ( 2.816 3.629 -0.638) 4.637 24.251 ( -14.710 0.194 -4.409) 15.357 ======================= Grid point 281 (131/432) ======================= q-point: (-0.18 0.18 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -1.307 21.159 19.593) 28.867 1.859 ( 12.129 17.649 25.450) 33.261 3.078 ( -6.038 20.979 38.555) 44.306 4.036 ( -2.380 -7.577 -0.348) 7.949 4.311 ( -2.611 1.076 14.817) 15.084 4.691 ( 4.281 -13.222 -10.980) 17.711 4.782 ( -2.710 -15.137 16.934) 22.874 5.391 ( -8.603 -10.503 8.490) 16.013 5.542 ( 0.047 4.426 0.071) 4.427 5.847 ( -2.157 2.859 -5.725) 6.753 6.049 ( -22.612 -20.071 8.664) 31.452 6.406 ( 2.538 0.615 8.183) 8.590 6.912 ( -0.168 -11.139 2.866) 11.503 6.929 ( 3.204 -2.762 4.201) 5.962 7.331 ( -6.242 -0.382 8.424) 10.492 7.847 ( -7.583 3.050 -7.421) 11.039 8.638 ( 2.873 4.617 -0.371) 5.451 9.342 ( 2.872 -13.619 1.240) 13.973 9.552 ( -1.529 -0.511 -1.307) 2.076 9.607 ( -2.265 1.808 1.800) 3.411 10.347 ( 5.690 18.507 4.932) 19.980 11.570 ( -0.155 18.731 0.322) 18.734 11.918 ( -0.081 -2.184 3.799) 4.383 12.053 ( -4.945 3.147 -2.856) 6.520 12.812 ( 4.142 6.916 -1.351) 8.174 13.180 ( 1.161 -2.904 -3.814) 4.932 13.573 ( -2.742 10.421 -7.436) 13.092 15.066 ( 0.854 -11.680 -19.780) 22.987 17.933 ( 8.852 -19.947 13.630) 25.729 19.076 ( -14.219 -10.577 -15.153) 23.317 19.605 ( 21.692 6.020 -4.291) 22.917 19.994 ( -8.346 3.301 -6.828) 11.277 20.774 ( 12.131 4.690 5.636) 14.175 22.102 ( -11.662 -16.231 11.593) 23.105 23.792 ( 1.502 1.964 -0.833) 2.609 23.892 ( -17.135 11.741 -9.090) 22.673 ======================= Grid point 282 (132/432) ======================= q-point: (-0.09 0.18 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 2.695 16.605 23.553) 28.944 2.193 ( 11.779 12.513 25.380) 30.651 3.436 ( 10.419 10.977 37.865) 40.778 4.044 ( 0.541 -4.096 -3.533) 5.436 4.427 ( -10.064 -1.705 18.743) 21.342 4.726 ( 4.661 -14.149 -12.974) 19.755 5.026 ( -2.095 -11.760 7.011) 13.851 5.401 ( -5.272 2.473 -6.992) 9.100 5.575 ( 7.326 -0.194 7.812) 10.712 5.739 ( -1.993 3.472 5.715) 6.978 6.011 ( -15.938 -4.187 6.726) 17.798 6.546 ( -3.782 -5.764 14.022) 15.624 6.943 ( -3.015 -6.037 -1.037) 6.828 7.019 ( -10.048 -4.567 7.380) 13.277 7.392 ( 2.455 -1.320 1.443) 3.139 7.661 ( -7.522 0.724 1.058) 7.630 8.683 ( 2.338 1.968 6.034) 6.764 9.372 ( -3.188 10.176 -3.109) 11.108 9.489 ( 5.998 -1.632 0.627) 6.248 9.701 ( -3.598 -6.252 4.142) 8.318 10.408 ( 11.581 1.456 1.548) 11.774 11.375 ( -0.905 21.194 -2.530) 21.363 11.935 ( 1.718 0.800 -9.024) 9.220 11.996 ( -2.930 -8.183 3.056) 9.213 12.755 ( 2.923 12.919 -0.046) 13.245 13.241 ( 4.855 -1.016 3.175) 5.890 13.418 ( -3.008 4.564 -2.608) 6.056 14.891 ( -4.044 -8.219 -21.218) 23.111 18.267 ( 9.090 -12.007 2.815) 15.320 18.805 ( -17.700 -13.367 -12.578) 25.498 19.604 ( -7.632 11.342 -5.795) 14.849 19.820 ( -1.918 0.464 -5.770) 6.098 21.009 ( 13.507 -3.532 8.873) 16.542 22.234 ( -0.586 -10.040 3.591) 10.679 23.477 ( -11.166 15.571 -5.348) 19.893 23.815 ( 3.158 0.614 -0.857) 3.329 ======================= Grid point 286 (133/432) ======================= q-point: ( 0.27 -0.73 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( -16.327 -0.000 -4.416) 16.914 3.117 ( -8.992 -0.000 -7.642) 11.801 3.852 ( -11.565 -0.000 -6.365) 13.201 3.887 ( -8.291 -0.000 1.899) 8.505 4.141 ( -2.489 -0.000 13.105) 13.340 4.577 ( 4.026 0.000 2.423) 4.699 4.723 ( 4.060 0.000 -3.211) 5.176 4.887 ( -4.638 -0.000 -10.493) 11.472 5.404 ( -2.165 -0.000 -0.921) 2.352 5.803 ( -17.808 -0.000 -3.359) 18.122 6.201 ( 3.567 0.000 -5.511) 6.565 6.259 ( -9.357 -0.000 -7.174) 11.791 7.128 ( 2.584 0.000 6.294) 6.804 7.150 ( -7.567 -0.000 -1.122) 7.650 7.527 ( -21.638 -0.000 32.850) 39.336 7.949 ( -1.495 -0.000 -6.181) 6.360 8.555 ( -5.995 -0.000 12.483) 13.848 9.236 ( -8.537 -0.000 6.280) 10.598 9.324 ( -7.659 -0.000 -2.982) 8.219 9.845 ( -5.753 -0.000 -12.306) 13.584 10.974 ( 18.596 0.000 10.507) 21.359 11.868 ( 13.432 0.000 -6.152) 14.774 12.282 ( 2.591 0.000 -0.200) 2.599 12.354 ( 5.556 0.000 7.401) 9.254 12.698 ( -9.777 -0.000 13.196) 16.423 13.083 ( 7.841 0.000 5.128) 9.369 13.278 ( -6.070 -0.000 -14.771) 15.969 14.379 ( 12.550 0.000 -0.380) 12.555 17.430 ( -7.013 -0.000 -17.856) 19.184 18.531 ( 4.459 0.000 12.046) 12.845 19.247 ( 8.577 0.000 1.664) 8.737 19.314 ( 15.099 0.000 -4.410) 15.729 21.582 ( -0.425 -0.000 -22.602) 22.606 22.293 ( -10.895 -0.000 9.863) 14.696 23.590 ( 8.551 0.000 6.338) 10.644 24.047 ( 1.884 0.000 2.825) 3.396 ======================= Grid point 288 (134/432) ======================= q-point: (-0.64 0.27 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( -13.670 11.829 -4.110) 18.539 2.901 ( -13.758 0.129 -8.876) 16.373 3.638 ( -14.017 -1.892 0.029) 14.144 3.777 ( -14.863 -9.269 0.494) 17.523 4.147 ( -10.834 1.504 3.242) 11.408 4.637 ( -1.871 1.980 -13.567) 13.837 4.726 ( 2.341 3.311 10.069) 10.855 4.845 ( 3.827 -8.121 4.894) 10.225 5.357 ( -2.236 10.133 1.469) 10.480 5.607 ( -10.618 -11.936 -3.848) 16.433 6.028 ( -11.931 -3.551 -9.233) 15.498 6.231 ( 6.654 1.592 -0.713) 6.879 7.013 ( -7.939 -0.341 -3.370) 8.631 7.164 ( -8.684 3.396 5.578) 10.865 7.578 ( -21.496 -0.556 26.575) 34.185 7.877 ( -1.043 -2.456 -5.716) 6.308 8.589 ( -4.692 -0.219 6.032) 7.645 9.165 ( -8.269 2.618 3.892) 9.507 9.260 ( -5.155 -7.480 -0.361) 9.091 9.661 ( -1.736 1.762 -9.002) 9.335 11.286 ( 13.476 0.590 7.809) 15.586 11.869 ( 9.089 20.725 -3.831) 22.953 12.258 ( 0.304 5.154 -1.263) 5.315 12.497 ( -1.882 -11.425 4.028) 12.260 12.698 ( -11.207 -4.312 8.593) 14.766 13.043 ( -4.609 0.962 -11.794) 12.699 13.380 ( 17.245 -1.821 11.803) 20.976 14.539 ( 14.315 -4.844 -5.726) 16.161 17.162 ( -5.539 0.128 -14.117) 15.166 18.793 ( 9.594 -0.727 15.814) 18.511 19.395 ( 15.430 6.212 -3.098) 16.919 19.503 ( 17.624 -5.592 0.065) 18.489 21.281 ( -3.350 3.599 -22.389) 22.923 22.222 ( -16.523 -4.782 5.253) 17.985 23.762 ( 5.227 0.901 7.724) 9.370 24.106 ( 1.743 -0.178 3.842) 4.223 ======================= Grid point 289 (135/432) ======================= q-point: (-0.55 0.27 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( -12.596 14.463 1.662) 19.251 2.571 ( -13.424 14.364 -4.963) 20.277 3.573 ( -10.759 -11.144 7.793) 17.340 3.702 ( -14.229 -14.205 2.712) 20.288 3.965 ( -16.569 -1.770 -1.607) 16.740 4.459 ( -0.972 1.618 -10.994) 11.155 4.732 ( -3.355 17.295 10.669) 20.596 5.068 ( 3.677 -7.592 8.443) 11.935 5.328 ( 0.633 -5.446 2.878) 6.192 5.505 ( -10.826 -5.378 -8.124) 14.565 5.899 ( -5.852 -11.978 -1.111) 13.377 6.320 ( 8.059 2.512 2.067) 8.691 6.885 ( -8.291 -0.376 -3.959) 9.195 6.959 ( -23.301 2.218 4.894) 23.913 7.596 ( -14.222 1.559 15.269) 20.924 7.841 ( 0.467 -5.967 -4.759) 7.647 8.606 ( -1.134 0.405 4.906) 5.051 9.088 ( -7.947 0.194 2.823) 8.436 9.268 ( -4.480 -11.345 -2.145) 12.385 9.586 ( 1.999 2.184 -1.387) 3.269 11.466 ( 8.534 9.391 2.443) 12.922 11.724 ( 4.307 24.726 1.334) 25.133 12.195 ( -1.134 2.604 -3.157) 4.247 12.507 ( -12.161 2.797 8.284) 14.978 12.744 ( 1.265 -11.052 -3.519) 11.667 12.907 ( -2.921 -5.011 -3.838) 6.955 13.738 ( 14.164 -1.896 9.863) 17.363 14.693 ( 14.410 -9.629 -10.734) 20.386 16.982 ( -2.529 0.444 -6.625) 7.105 19.110 ( 12.205 1.492 13.856) 18.525 19.457 ( 12.388 3.043 -10.659) 16.624 19.853 ( 24.641 -1.170 6.747) 25.575 20.939 ( -5.816 3.618 -21.350) 22.422 22.075 ( -20.516 -7.264 3.043) 21.976 23.864 ( 1.628 3.798 5.454) 6.842 24.190 ( 0.511 -3.184 5.470) 6.350 ======================= Grid point 290 (136/432) ======================= q-point: (-0.45 0.27 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( -10.768 22.081 4.644) 25.002 2.304 ( -7.624 21.519 9.563) 24.752 3.632 ( -11.698 -1.402 3.087) 12.179 3.682 ( -13.441 -15.121 4.429) 20.710 3.841 ( -8.620 -13.428 11.488) 19.662 4.344 ( 0.706 9.817 0.383) 9.849 4.686 ( -2.701 4.677 4.332) 6.923 5.170 ( -6.972 -10.317 -4.451) 13.224 5.354 ( -3.711 -10.609 -2.292) 11.471 5.480 ( -0.720 -3.961 12.295) 12.937 5.981 ( -0.541 -9.202 3.541) 9.875 6.420 ( 4.152 1.273 1.797) 4.700 6.604 ( -24.346 0.965 4.515) 24.780 6.853 ( -2.198 -5.665 -3.516) 7.020 7.510 ( -12.146 4.736 6.186) 14.430 7.882 ( 2.606 -6.845 -2.618) 7.778 8.672 ( 1.724 0.613 6.251) 6.514 9.020 ( -7.011 -3.739 -0.252) 7.949 9.269 ( -6.514 -12.247 -2.562) 14.107 9.638 ( 3.877 1.587 5.744) 7.109 11.321 ( 3.146 33.420 -3.869) 33.790 11.712 ( 2.876 7.091 7.015) 10.380 12.118 ( -1.369 2.151 -3.824) 4.596 12.394 ( -11.431 7.079 7.489) 15.390 12.775 ( 4.513 -0.757 -3.295) 5.639 12.958 ( -1.293 -14.477 -1.282) 14.591 13.955 ( 6.507 -0.705 1.254) 6.664 14.818 ( 12.616 -12.888 -15.044) 23.486 16.972 ( 2.502 -1.768 5.336) 6.153 19.367 ( 6.451 2.720 8.695) 11.163 19.418 ( 13.541 2.344 -18.280) 22.870 20.275 ( 25.099 4.290 10.620) 27.589 20.596 ( -6.318 1.401 -20.062) 21.080 21.911 ( -21.210 -8.947 5.167) 23.592 23.879 ( 0.036 5.002 2.560) 5.619 24.267 ( -3.635 -4.829 3.919) 7.204 ======================= Grid point 291 (137/432) ======================= q-point: (-0.36 0.27 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( -0.207 24.223 14.410) 28.186 2.198 ( -1.886 24.999 15.744) 29.604 3.424 ( -13.228 11.110 7.493) 18.830 3.768 ( -5.568 -13.933 7.099) 16.599 4.113 ( -2.151 -18.302 18.661) 26.227 4.330 ( 0.891 9.173 8.480) 12.524 4.624 ( -5.632 -2.823 -5.037) 8.066 5.111 ( -8.331 -15.823 -1.344) 17.932 5.490 ( 3.077 -15.726 1.369) 16.082 5.588 ( -9.142 1.092 15.715) 18.214 6.048 ( -2.810 -2.414 -1.003) 3.838 6.358 ( -10.456 -1.324 8.024) 13.246 6.566 ( 2.438 -7.404 0.771) 7.834 6.868 ( 2.294 -3.105 -1.305) 4.075 7.392 ( -9.601 4.445 5.787) 12.059 7.922 ( 0.533 -5.227 -4.298) 6.788 8.749 ( 2.238 4.403 3.340) 5.962 8.986 ( -4.414 -10.844 -0.639) 11.725 9.265 ( -5.616 -11.390 0.124) 12.700 9.755 ( 2.940 2.591 7.979) 8.890 11.017 ( 1.815 35.694 -2.610) 35.836 11.764 ( 0.251 4.759 6.639) 8.172 12.034 ( -0.703 3.955 -4.107) 5.745 12.277 ( -8.459 8.662 5.770) 13.412 12.826 ( 5.763 1.017 0.347) 5.862 13.032 ( -0.383 -11.811 -3.041) 12.202 13.933 ( -1.578 3.457 -7.958) 8.819 14.880 ( 8.616 -14.121 -18.289) 24.660 17.212 ( 7.819 -8.829 16.379) 20.184 19.222 ( -5.947 -4.497 -18.683) 20.116 19.561 ( 19.229 7.400 -2.905) 20.808 20.255 ( -10.361 1.193 -12.880) 16.573 20.686 ( 23.411 7.741 7.834) 25.872 21.824 ( -16.009 -9.989 9.310) 21.041 23.855 ( -0.469 3.966 0.865) 4.086 24.231 ( -9.362 -2.217 -1.759) 9.780 ======================= Grid point 292 (138/432) ======================= q-point: (-0.27 0.27 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 6.626 20.515 15.331) 26.454 2.202 ( 5.703 23.608 18.421) 30.483 3.375 ( -3.485 12.436 21.723) 25.272 3.900 ( -1.044 -8.509 5.447) 10.157 4.375 ( -7.668 6.136 18.025) 20.527 4.434 ( 1.703 -16.378 3.281) 16.790 4.570 ( 0.103 -10.349 2.139) 10.568 5.182 ( -6.550 -14.185 8.180) 17.636 5.588 ( 1.090 1.374 1.240) 2.148 5.694 ( -12.126 -16.677 14.466) 25.187 5.929 ( -2.363 4.188 -6.729) 8.271 6.440 ( 1.298 -0.218 9.662) 9.751 6.693 ( 0.623 -12.970 1.751) 13.102 6.911 ( 1.781 -0.780 0.928) 2.154 7.337 ( -5.715 1.934 6.789) 9.083 7.855 ( -5.235 -1.606 -7.488) 9.276 8.720 ( 0.093 5.356 -0.179) 5.360 9.098 ( 0.534 -15.055 2.758) 15.315 9.347 ( 0.799 -11.708 3.299) 12.190 9.806 ( 0.264 9.749 5.176) 11.041 10.751 ( 1.965 29.442 0.276) 29.509 11.775 ( -4.087 5.184 5.049) 8.311 11.953 ( 2.206 4.424 -4.313) 6.560 12.146 ( -6.797 9.212 0.898) 11.483 12.883 ( 4.577 0.178 -2.696) 5.315 13.103 ( 3.238 -4.177 2.221) 5.733 13.725 ( -6.413 6.697 -9.164) 13.037 14.850 ( 3.443 -13.643 -20.914) 25.206 17.636 ( 9.320 -15.041 17.660) 24.999 18.927 ( -12.086 -7.530 -19.712) 24.317 19.698 ( 17.319 4.900 -5.992) 18.970 19.993 ( -10.601 -2.245 -9.695) 14.540 20.926 ( 11.898 12.450 8.446) 19.180 21.896 ( -2.747 -9.663 10.177) 14.300 23.826 ( -1.057 2.035 -0.019) 2.293 24.021 ( -12.502 4.553 -7.146) 15.103 ======================= Grid point 293 (139/432) ======================= q-point: (-0.18 0.27 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 6.361 22.448 14.507) 27.474 2.412 ( 12.865 13.164 21.015) 27.936 3.589 ( 5.649 5.437 22.345) 23.681 3.987 ( -0.508 -2.877 4.039) 4.985 4.412 ( -10.086 -0.720 14.188) 17.423 4.511 ( 2.076 -9.516 -4.924) 10.914 4.820 ( 2.257 -12.581 9.094) 15.687 5.334 ( -2.832 -8.926 6.485) 11.391 5.616 ( 4.584 3.464 5.666) 8.070 5.747 ( -10.571 -6.415 7.238) 14.328 5.910 ( 0.410 -0.829 6.227) 6.296 6.552 ( 1.805 3.185 8.942) 9.662 6.794 ( -4.073 -11.978 0.345) 12.656 6.949 ( -3.621 -2.757 5.140) 6.866 7.350 ( -1.756 -2.522 1.031) 3.241 7.682 ( -7.546 1.437 -4.271) 8.789 8.715 ( 1.807 2.137 3.164) 4.224 9.242 ( -0.196 -14.276 -1.764) 14.386 9.524 ( 2.111 -10.212 5.392) 11.740 9.746 ( 1.712 16.998 5.154) 17.845 10.588 ( 2.604 18.710 0.861) 18.910 11.660 ( -7.463 10.119 0.012) 12.574 11.943 ( 3.196 1.380 -0.900) 3.596 11.971 ( -3.019 5.852 -7.409) 9.912 12.887 ( 2.859 1.721 -2.440) 4.134 13.234 ( 5.835 1.668 6.190) 8.668 13.506 ( -6.229 4.894 -3.982) 8.866 14.722 ( -1.279 -11.725 -22.147) 25.092 18.041 ( 7.972 -14.013 11.155) 19.604 18.621 ( -12.977 -8.997 -16.203) 22.625 19.735 ( 0.967 4.124 -8.610) 9.595 19.802 ( -6.671 -2.137 -4.135) 8.134 21.035 ( 6.645 7.017 7.797) 12.417 22.107 ( 8.781 -5.822 5.891) 12.070 23.684 ( -11.444 8.868 -6.692) 15.950 23.831 ( 0.703 1.524 -1.611) 2.326 ======================= Grid point 294 (140/432) ======================= q-point: (-0.09 0.27 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 6.975 14.766 18.613) 24.761 2.736 ( 13.733 12.498 22.641) 29.281 3.826 ( 5.246 -6.212 2.692) 8.565 4.059 ( -2.808 -2.050 9.238) 9.871 4.455 ( 0.036 -7.252 -2.382) 7.633 4.578 ( -3.857 -1.663 10.931) 11.710 4.921 ( 1.315 -4.680 -7.988) 9.351 5.331 ( -1.092 4.583 -1.561) 4.963 5.773 ( 7.924 -1.217 8.414) 11.622 5.881 ( -1.078 3.906 5.208) 6.599 5.976 ( -5.043 -3.044 25.316) 25.992 6.663 ( 0.107 1.076 11.229) 11.281 6.793 ( -5.008 -6.686 -3.546) 9.075 6.964 ( -9.547 -1.654 8.247) 12.724 7.301 ( -5.222 -7.757 -8.259) 12.476 7.637 ( -1.949 -1.818 7.937) 8.373 8.791 ( 1.203 0.679 6.672) 6.814 9.262 ( -4.447 -7.021 -2.483) 8.673 9.629 ( -5.855 -4.296 1.434) 7.402 9.742 ( 9.307 14.718 7.914) 19.128 10.542 ( 5.694 5.008 -0.750) 7.620 11.454 ( -6.577 9.569 -3.351) 12.085 11.813 ( -1.784 2.195 -6.525) 7.112 11.998 ( 7.949 -0.883 -3.453) 8.712 12.885 ( 1.242 5.620 2.462) 6.260 13.245 ( -6.026 0.144 -2.450) 6.507 13.496 ( 7.295 4.510 6.812) 10.953 14.521 ( -4.550 -8.616 -20.432) 22.637 18.304 ( -4.149 -12.276 3.592) 13.447 18.409 ( 1.914 -6.521 -11.302) 13.188 19.480 ( -10.033 11.016 -10.470) 18.211 19.688 ( -12.004 -0.244 0.136) 12.008 21.218 ( 9.752 -5.932 6.359) 13.066 22.300 ( 11.639 1.091 -0.226) 11.692 23.422 ( -4.940 9.911 -4.696) 12.028 23.836 ( 1.652 -1.128 -0.654) 2.105 ======================= Grid point 299 (141/432) ======================= q-point: ( 0.36 -0.64 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( -10.795 -0.000 -0.063) 10.795 2.715 ( -7.813 -0.000 -3.773) 8.676 3.482 ( -13.719 -0.000 6.851) 15.334 3.545 ( -17.328 -0.000 4.949) 18.021 3.953 ( -15.598 -0.000 -3.144) 15.912 4.437 ( -0.150 -0.000 -13.788) 13.789 4.950 ( 3.299 0.000 13.545) 13.941 4.997 ( 3.987 0.000 9.045) 9.885 5.299 ( -10.470 -0.000 -1.023) 10.520 5.425 ( -4.521 -0.000 -6.157) 7.638 5.785 ( -7.475 -0.000 -0.738) 7.511 6.343 ( 7.581 0.000 1.380) 7.706 6.864 ( -6.037 -0.000 -5.140) 7.929 6.998 ( -28.408 -0.000 5.061) 28.856 7.617 ( -10.620 -0.000 16.900) 19.960 7.776 ( -2.480 -0.000 -4.923) 5.512 8.614 ( -1.608 -0.000 5.457) 5.689 9.105 ( -9.220 -0.000 2.317) 9.507 9.154 ( -2.547 -0.000 -2.414) 3.510 9.606 ( 1.927 0.000 -2.092) 2.844 11.519 ( 9.211 0.000 6.413) 11.224 12.019 ( 7.687 0.000 -5.937) 9.713 12.306 ( -1.318 -0.000 1.143) 1.744 12.385 ( -3.716 -0.000 -0.519) 3.752 12.628 ( -12.560 -0.000 9.133) 15.530 12.886 ( -0.922 -0.000 -8.222) 8.273 13.721 ( 14.170 0.000 10.375) 17.562 14.609 ( 14.362 0.000 -10.899) 18.030 16.986 ( -2.456 -0.000 -7.072) 7.487 19.122 ( 12.263 0.000 15.502) 19.766 19.485 ( 12.793 0.000 -14.358) 19.230 19.842 ( 26.390 0.000 8.724) 27.794 20.971 ( -6.595 -0.000 -22.347) 23.300 22.013 ( -19.886 -0.000 3.509) 20.193 23.899 ( 0.356 0.000 8.331) 8.338 24.161 ( 1.306 0.000 2.584) 2.895 ======================= Grid point 301 (142/432) ======================= q-point: (-0.55 0.36 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( -4.301 13.998 8.183) 16.775 2.579 ( -4.912 8.896 4.729) 11.209 3.443 ( -12.319 -7.789 9.292) 17.285 3.487 ( -12.517 -11.219 9.011) 19.071 3.759 ( -9.022 -0.520 1.367) 9.139 4.345 ( 4.199 -3.020 -9.437) 10.761 4.920 ( -9.343 12.827 3.183) 16.185 5.049 ( -12.344 -3.320 1.034) 12.824 5.246 ( 1.956 -1.277 -7.234) 7.601 5.401 ( 1.483 -5.927 15.775) 16.916 5.847 ( 0.661 -5.397 8.576) 10.155 6.424 ( 3.838 -0.288 -1.849) 4.270 6.627 ( -31.598 1.156 3.892) 31.857 6.778 ( -0.649 -2.597 -2.949) 3.983 7.611 ( -7.444 6.973 5.907) 11.787 7.753 ( -0.646 -8.015 -0.693) 8.071 8.673 ( 0.264 -0.212 6.340) 6.349 8.999 ( -9.188 0.296 0.948) 9.241 9.122 ( -1.751 -4.926 -2.822) 5.940 9.658 ( 3.627 0.681 4.980) 6.198 11.657 ( 5.651 5.385 3.508) 8.557 11.953 ( 3.260 17.518 -3.229) 18.109 12.170 ( -3.202 9.205 -2.318) 10.018 12.440 ( -7.326 -7.613 4.420) 11.453 12.612 ( -5.022 -11.382 2.005) 12.602 12.849 ( 3.459 -0.371 -1.679) 3.862 13.940 ( 5.688 -0.680 3.908) 6.935 14.661 ( 13.112 -5.157 -15.227) 20.746 16.955 ( 2.271 -0.431 2.257) 3.231 19.369 ( -0.694 -0.367 -1.285) 1.506 19.471 ( 20.311 2.015 -10.061) 22.756 20.322 ( 29.623 1.362 11.342) 31.749 20.617 ( -9.010 0.842 -20.761) 22.647 21.812 ( -19.561 -2.962 5.108) 20.433 23.948 ( -3.341 2.704 5.769) 7.194 24.201 ( -0.735 -2.590 1.305) 2.992 ======================= Grid point 302 (143/432) ======================= q-point: (-0.45 0.36 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( -1.817 19.880 9.107) 21.942 2.589 ( 2.570 20.617 16.957) 26.818 3.437 ( -10.797 -8.273 2.718) 13.872 3.565 ( -4.714 -10.390 11.085) 15.908 3.863 ( 0.900 -9.253 15.484) 18.061 4.366 ( 4.607 -4.037 -3.013) 6.827 4.684 ( -17.840 5.634 0.403) 18.713 4.903 ( -7.429 -7.888 -1.586) 10.951 5.342 ( 7.828 -0.677 4.585) 9.097 5.600 ( -5.694 0.065 15.677) 16.679 5.994 ( 1.582 -4.407 5.040) 6.879 6.321 ( -18.377 -1.657 5.367) 19.216 6.445 ( 0.528 -7.123 -4.410) 8.395 6.824 ( 3.875 -1.752 1.879) 4.649 7.503 ( -6.254 8.359 3.469) 11.001 7.809 ( 0.412 -8.020 -2.595) 8.440 8.766 ( -0.003 -3.438 6.605) 7.446 8.890 ( -7.628 0.281 -0.471) 7.648 9.124 ( -1.325 -5.497 -0.336) 5.665 9.784 ( 3.551 1.073 9.266) 9.981 11.579 ( 3.392 28.144 -4.115) 28.645 11.844 ( -1.812 7.005 3.938) 8.238 12.064 ( -1.313 1.221 -4.634) 4.969 12.408 ( -8.790 5.140 8.567) 13.307 12.695 ( -0.073 -17.049 -5.117) 17.800 12.932 ( 6.395 0.309 4.538) 7.847 13.958 ( -3.375 0.209 -3.538) 4.895 14.679 ( 10.161 -9.171 -18.938) 23.367 17.113 ( 7.210 -3.498 11.649) 14.140 19.164 ( -5.626 -2.424 -21.691) 22.539 19.652 ( 16.131 3.631 -2.355) 16.702 20.262 ( -10.833 0.099 -17.498) 20.580 20.808 ( 27.804 5.944 11.920) 30.830 21.699 ( -14.342 -5.201 8.449) 17.439 23.917 ( -4.414 3.110 2.685) 6.030 24.189 ( -4.892 -2.408 -1.687) 5.707 ======================= Grid point 303 (144/432) ======================= q-point: (-0.36 0.36 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 5.722 16.669 11.741) 21.177 2.626 ( 4.593 26.372 14.325) 30.361 3.460 ( -1.629 -1.560 10.025) 10.275 3.756 ( 0.055 -9.309 10.611) 14.115 4.163 ( 2.176 -13.815 11.654) 18.204 4.427 ( 4.259 -6.452 -6.760) 10.269 4.486 ( -15.742 3.049 16.815) 23.235 4.953 ( -4.238 -12.072 7.803) 14.986 5.517 ( 4.620 -2.123 7.515) 9.074 5.616 ( -8.311 1.646 9.190) 12.500 6.005 ( 2.003 4.148 -5.107) 6.878 6.344 ( -4.660 -10.048 12.718) 16.865 6.513 ( 2.797 -9.386 -1.109) 9.856 6.904 ( 2.455 0.041 2.513) 3.514 7.407 ( -5.872 6.040 4.047) 9.346 7.809 ( -0.887 -3.432 -6.111) 7.065 8.791 ( -5.699 -0.637 -0.860) 5.798 8.880 ( -0.270 -7.001 5.606) 8.973 9.194 ( 1.777 -6.817 3.616) 7.918 9.917 ( 2.051 4.157 10.295) 11.290 11.285 ( 1.290 33.132 -4.878) 33.514 11.819 ( -5.682 1.665 4.127) 7.217 11.991 ( 1.305 0.516 -6.823) 6.966 12.329 ( -6.974 10.508 6.045) 13.986 12.760 ( 0.560 -13.895 -6.307) 15.269 13.100 ( 8.802 2.529 9.092) 12.905 13.792 ( -9.753 1.846 -7.290) 12.315 14.635 ( 5.747 -11.438 -21.979) 25.435 17.442 ( 9.687 -8.297 16.587) 20.924 18.825 ( -10.322 -4.718 -22.786) 25.456 19.765 ( 13.581 3.154 -6.336) 15.314 19.951 ( -11.226 -2.283 -12.998) 17.326 21.149 ( 14.626 13.406 10.549) 22.470 21.753 ( 0.137 -8.069 9.281) 12.299 23.857 ( -4.616 1.593 0.785) 4.946 24.065 ( -7.968 1.294 -5.881) 9.988 ======================= Grid point 304 (145/432) ======================= q-point: (-0.27 0.36 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 12.647 20.130 9.903) 25.753 2.640 ( 6.226 16.530 14.876) 23.093 3.613 ( 3.193 -1.077 9.967) 10.522 3.906 ( -3.893 -7.858 6.625) 10.991 4.297 ( 1.931 -9.157 -5.512) 10.861 4.497 ( -5.955 -0.989 15.388) 16.530 4.640 ( 3.975 -6.011 14.503) 16.195 5.149 ( -2.330 -12.400 13.946) 18.806 5.594 ( -11.501 -4.290 17.611) 21.467 5.691 ( 10.628 2.651 -1.148) 11.013 5.971 ( 5.418 5.187 -0.692) 7.533 6.530 ( -1.545 -10.034 9.790) 14.104 6.610 ( 1.301 -6.147 1.442) 6.447 6.932 ( -1.599 0.654 2.250) 2.837 7.330 ( -7.052 0.173 0.109) 7.055 7.714 ( -2.407 2.946 -4.818) 6.139 8.746 ( -1.556 0.213 1.363) 2.080 8.998 ( -1.702 -13.027 1.964) 13.284 9.358 ( 3.680 -8.777 6.234) 11.377 9.988 ( 1.234 11.067 9.757) 14.805 10.988 ( 0.623 28.156 -3.797) 28.418 11.722 ( -13.027 0.600 0.696) 13.059 11.954 ( 6.954 0.135 -7.949) 10.563 12.179 ( -4.853 14.946 0.294) 15.716 12.809 ( 0.822 -9.845 -3.558) 10.500 13.303 ( 8.556 5.421 10.173) 14.355 13.560 ( -10.535 1.425 -4.686) 11.618 14.518 ( 1.290 -12.179 -23.432) 26.439 17.831 ( 8.521 -10.647 15.004) 20.275 18.498 ( -9.689 -5.885 -17.965) 21.243 19.708 ( -8.135 -4.499 -11.324) 14.651 19.816 ( 5.025 2.155 -4.243) 6.920 21.215 ( 1.586 13.240 6.241) 14.723 22.021 ( 14.267 -4.975 7.888) 17.044 23.770 ( -8.064 2.078 -2.643) 8.736 23.874 ( -3.697 3.316 -5.743) 7.593 ======================= Grid point 305 (146/432) ======================= q-point: (-0.18 0.36 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 5.988 19.947 9.280) 22.800 2.912 ( 15.815 8.460 19.034) 26.153 3.735 ( 2.938 -3.971 -0.137) 4.941 3.958 ( -8.331 -8.978 5.424) 13.396 4.302 ( -2.281 -9.450 -6.285) 11.576 4.631 ( 2.581 2.432 10.245) 10.842 4.863 ( 6.316 -0.387 6.866) 9.337 5.335 ( -3.329 -4.660 10.872) 12.288 5.754 ( 2.885 -1.212 6.353) 7.082 5.859 ( 3.680 -3.441 23.302) 23.840 6.005 ( 2.171 5.181 3.551) 6.645 6.642 ( -2.779 -10.915 -1.320) 11.340 6.705 ( 1.749 2.386 9.029) 9.501 6.927 ( -6.225 -2.319 6.226) 9.104 7.186 ( -10.214 -4.682 -8.643) 14.176 7.654 ( 1.213 3.512 1.678) 4.077 8.781 ( 0.684 -1.970 4.000) 4.510 9.079 ( -4.040 -13.161 -0.441) 13.774 9.528 ( -0.035 -6.907 5.039) 8.550 10.010 ( 3.296 15.355 9.567) 18.389 10.761 ( 2.047 19.969 -2.862) 20.276 11.498 ( -16.789 -1.028 -5.481) 17.691 11.953 ( 5.950 6.217 -8.106) 11.822 12.028 ( 3.230 9.181 0.211) 9.735 12.863 ( 0.185 -6.963 -0.769) 7.007 13.280 ( -9.995 2.541 -2.010) 10.507 13.579 ( 8.785 5.415 10.007) 14.375 14.351 ( -1.715 -11.503 -21.647) 24.574 18.123 ( -1.525 -9.266 6.984) 11.703 18.306 ( 2.193 -5.742 -9.604) 11.402 19.525 ( -6.735 -3.387 -10.461) 12.894 19.749 ( -7.395 5.531 -0.574) 9.252 21.203 ( 3.353 4.127 1.582) 5.548 22.317 ( 15.853 0.788 5.156) 16.689 23.564 ( -5.791 6.909 -6.331) 11.016 23.814 ( -0.759 -1.472 -1.531) 2.256 ======================= Grid point 306 (147/432) ======================= q-point: (-0.09 0.36 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 2.083 8.057 11.719) 14.373 3.263 ( 14.153 10.336 20.178) 26.726 3.757 ( -0.443 -6.002 -5.114) 7.898 3.982 ( -7.239 -9.628 2.936) 12.398 4.270 ( -4.381 -10.280 -5.694) 12.542 4.661 ( 6.280 2.696 -10.796) 12.778 5.019 ( 7.296 9.678 10.275) 15.889 5.366 ( -1.349 4.994 1.584) 5.410 5.890 ( -2.754 6.434 -2.766) 7.526 5.948 ( -2.087 -4.035 18.056) 18.619 6.257 ( 2.220 -2.102 18.715) 18.963 6.642 ( -1.151 -5.686 -5.790) 8.197 6.797 ( -4.347 -0.974 13.750) 14.454 6.936 ( -8.068 0.795 8.674) 11.873 7.031 ( -7.836 -9.243 -4.141) 12.806 7.737 ( 7.453 -1.619 4.747) 8.984 8.844 ( -5.605 -2.436 6.434) 8.874 9.140 ( -2.118 -10.253 2.952) 10.877 9.521 ( -7.723 1.139 -1.340) 7.920 10.069 ( 7.804 11.151 8.273) 15.928 10.663 ( 4.748 12.040 -0.423) 12.949 11.220 ( -14.625 -6.937 -10.090) 19.074 11.882 ( 6.379 10.724 -0.663) 12.496 12.080 ( 8.863 1.103 -2.240) 9.208 12.906 ( -1.498 -5.768 0.323) 5.968 13.118 ( -9.291 2.094 -0.135) 9.525 13.737 ( 7.962 6.558 4.157) 11.121 14.202 ( -1.176 -7.857 -13.047) 15.276 18.075 ( -7.729 -4.817 -3.966) 9.934 18.444 ( 10.661 -6.734 -2.381) 12.832 19.325 ( -4.273 6.285 -10.662) 13.094 19.541 ( -17.022 5.852 3.437) 18.325 21.291 ( 6.799 -8.321 -1.589) 10.862 22.513 ( 12.170 7.433 3.047) 14.582 23.408 ( 0.455 6.380 -4.591) 7.873 23.822 ( 0.081 -3.723 -0.238) 3.731 ======================= Grid point 312 (148/432) ======================= q-point: ( 0.45 -0.55 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( -3.456 -0.000 4.565) 5.726 2.791 ( 6.932 0.000 20.747) 21.875 3.337 ( -11.235 -0.000 5.471) 12.496 3.429 ( -6.164 -0.000 12.470) 13.910 3.803 ( 2.620 0.000 11.786) 12.074 4.317 ( 7.169 0.000 -6.202) 9.480 4.714 ( -22.169 -0.000 -5.659) 22.880 4.845 ( -8.743 -0.000 1.158) 8.820 5.386 ( 8.884 0.000 5.835) 10.629 5.592 ( 1.657 0.000 16.296) 16.380 5.939 ( -3.338 -0.000 10.762) 11.267 6.322 ( -19.711 -0.000 5.118) 20.364 6.363 ( 0.314 0.000 -9.586) 9.591 6.810 ( 4.613 0.000 3.123) 5.571 7.631 ( -8.062 -0.000 3.174) 8.664 7.685 ( 3.267 0.000 -1.743) 3.703 8.724 ( -3.534 -0.000 4.626) 5.821 8.905 ( -6.326 -0.000 2.179) 6.691 9.079 ( 0.450 0.000 -0.463) 0.646 9.793 ( 3.676 0.000 9.472) 10.160 11.771 ( 2.149 0.000 3.397) 4.020 11.985 ( 2.472 0.000 -7.292) 7.700 12.183 ( -5.923 -0.000 -6.866) 9.067 12.329 ( 0.015 0.000 3.328) 3.329 12.524 ( -9.245 -0.000 6.692) 11.413 12.942 ( 8.127 0.000 4.198) 9.147 13.957 ( -4.046 -0.000 -2.044) 4.533 14.599 ( 10.754 0.000 -19.137) 21.952 17.085 ( 7.119 0.000 10.003) 12.277 19.143 ( -5.459 -0.000 -22.763) 23.409 19.682 ( 15.063 0.000 -2.073) 15.205 20.263 ( -10.840 -0.000 -18.753) 21.661 20.861 ( 30.029 0.000 12.968) 32.710 21.654 ( -14.645 -0.000 8.208) 16.789 23.946 ( -6.914 -0.000 3.880) 7.928 24.165 ( -2.316 -0.000 -2.334) 3.289 ======================= Grid point 314 (149/432) ======================= q-point: (-0.45 0.45 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( 1.466 7.808 7.022) 10.603 3.041 ( 6.229 21.494 17.035) 28.125 3.371 ( 0.197 -7.951 10.270) 12.990 3.569 ( -1.235 -11.174 9.025) 14.417 4.018 ( 4.552 -3.554 11.549) 12.913 4.351 ( 6.694 -2.463 -11.474) 13.510 4.472 ( -16.756 -2.375 14.833) 22.503 4.810 ( -7.175 -4.639 9.029) 12.431 5.559 ( 11.733 2.439 3.824) 12.579 5.692 ( -6.248 8.234 9.624) 14.123 6.003 ( -4.760 -6.195 7.048) 10.522 6.240 ( -2.584 1.608 5.603) 6.376 6.353 ( 3.166 -9.318 -1.360) 9.935 6.909 ( 3.192 0.317 4.031) 5.151 7.504 ( -9.011 4.222 0.087) 9.951 7.757 ( 5.946 -2.288 -2.037) 6.689 8.679 ( -10.107 -5.267 1.693) 11.522 8.899 ( -0.798 2.196 4.178) 4.787 9.117 ( 1.708 -2.405 3.203) 4.354 9.959 ( 3.039 1.141 12.217) 12.641 11.764 ( 2.571 16.331 -3.533) 16.906 11.863 ( -6.405 7.976 -2.377) 10.502 11.991 ( -0.110 0.015 -8.879) 8.880 12.431 ( -3.784 -4.414 7.227) 9.276 12.505 ( -3.862 -8.235 0.225) 9.098 13.137 ( 10.305 1.299 9.340) 13.968 13.804 ( -11.695 0.069 -5.757) 13.036 14.497 ( 7.067 -4.545 -22.553) 24.067 17.354 ( 9.947 -2.535 14.996) 18.173 18.771 ( -9.341 -1.638 -24.365) 26.146 19.801 ( 11.240 1.137 -5.644) 12.629 19.924 ( -11.139 -0.873 -15.594) 19.184 21.345 ( 22.609 8.785 12.516) 27.294 21.625 ( -5.056 -6.474 8.173) 11.587 23.876 ( -7.384 0.617 1.368) 7.535 24.075 ( -4.870 0.185 -5.501) 7.349 ======================= Grid point 315 (150/432) ======================= q-point: (-0.36 0.45 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( 11.308 7.042 10.823) 17.164 3.017 ( 2.886 25.383 6.824) 26.442 3.592 ( 4.641 -1.064 9.725) 10.828 3.721 ( -4.682 -14.407 4.979) 15.946 4.162 ( -0.424 -6.693 -0.437) 6.720 4.381 ( 8.648 -7.746 -2.527) 11.882 4.620 ( -4.316 -0.811 27.277) 27.628 4.960 ( -3.866 -9.109 18.375) 20.870 5.623 ( -5.025 6.871 7.341) 11.240 5.734 ( 13.434 2.054 0.386) 13.595 6.044 ( 2.129 2.469 2.945) 4.393 6.351 ( -1.806 -7.564 9.134) 11.996 6.499 ( 4.018 -8.347 4.712) 10.393 6.957 ( -0.592 1.652 2.232) 2.839 7.341 ( -10.712 0.683 -2.859) 11.108 7.790 ( 4.825 5.666 -2.479) 7.844 8.640 ( -8.524 -10.899 1.708) 13.941 8.911 ( -1.595 1.202 3.179) 3.755 9.240 ( 3.348 -5.261 6.636) 9.107 10.116 ( 1.977 4.643 13.105) 14.043 11.468 ( -0.066 27.178 -10.540) 29.151 11.729 ( -13.094 0.865 0.895) 13.154 11.946 ( 6.835 -1.370 -9.039) 11.415 12.394 ( -5.635 9.856 4.376) 12.167 12.595 ( -0.116 -14.708 -0.626) 14.721 13.381 ( 10.069 3.456 11.605) 15.748 13.560 ( -14.245 -0.943 -5.035) 15.138 14.342 ( 2.807 -8.063 -24.557) 25.999 17.697 ( 9.487 -5.359 15.793) 19.187 18.424 ( -7.843 -3.022 -18.696) 20.498 19.643 ( -9.135 -2.843 -12.459) 15.709 19.842 ( 6.359 0.942 -5.872) 8.707 21.432 ( -2.071 11.710 4.384) 12.674 21.933 ( 18.902 -5.434 10.714) 22.397 23.784 ( -7.270 0.235 -0.527) 7.293 23.920 ( -4.992 1.911 -7.669) 9.348 ======================= Grid point 316 (151/432) ======================= q-point: (-0.27 0.45 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( 1.876 20.248 1.542) 20.393 3.019 ( 15.091 4.574 15.934) 22.417 3.701 ( 2.854 -0.838 1.375) 3.277 3.805 ( -6.161 -7.900 4.974) 11.185 4.151 ( -4.358 -8.408 -3.965) 10.266 4.563 ( 12.832 -8.655 -6.302) 16.712 4.927 ( 2.730 5.028 27.605) 28.192 5.209 ( -4.846 -8.743 19.050) 21.514 5.702 ( 3.638 -3.418 10.322) 11.466 5.872 ( 8.681 3.552 5.667) 10.958 6.097 ( 2.523 5.646 5.023) 7.967 6.461 ( -2.049 -9.576 2.155) 10.027 6.696 ( 4.583 -3.944 10.095) 11.767 6.916 ( -5.823 1.168 0.962) 6.016 7.142 ( -11.703 -1.145 -6.974) 13.671 7.754 ( 2.790 8.458 -0.117) 8.907 8.670 ( -5.826 -12.720 1.640) 14.087 8.922 ( -2.562 -3.323 2.675) 4.976 9.419 ( 3.195 -5.720 7.654) 10.075 10.219 ( 0.802 9.365 11.700) 15.008 11.139 ( 0.300 22.349 -9.931) 24.458 11.499 ( -16.871 3.043 -3.863) 17.573 11.971 ( 9.404 -0.913 -7.315) 11.949 12.260 ( -3.163 13.878 0.999) 14.269 12.697 ( -0.996 -12.078 -0.337) 12.124 13.297 ( -13.759 -0.445 -2.776) 14.044 13.664 ( 10.486 4.205 13.055) 17.265 14.158 ( -0.259 -10.912 -23.494) 25.906 17.999 ( 3.226 -5.578 10.535) 12.349 18.225 ( -0.018 -3.834 -9.397) 10.149 19.452 ( -6.049 -4.264 -9.078) 11.712 19.813 ( -1.112 2.161 -3.669) 4.401 21.323 ( -1.632 8.731 -2.537) 9.238 22.322 ( 18.165 -0.207 10.079) 20.775 23.650 ( -6.117 3.443 -4.958) 8.594 23.791 ( -2.712 -1.134 -4.431) 5.318 ======================= Grid point 317 (152/432) ======================= q-point: (-0.18 0.45 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( -6.909 8.378 1.694) 10.990 3.383 ( 13.143 4.320 17.178) 22.057 3.714 ( -1.385 0.873 -1.044) 1.942 3.832 ( -2.109 -7.997 1.465) 8.399 4.138 ( -0.826 -5.183 -2.938) 6.015 4.659 ( 12.345 -3.149 -13.851) 18.819 5.175 ( 5.966 8.563 13.859) 17.348 5.395 ( -5.225 -1.785 16.156) 17.073 5.851 ( 6.732 -3.637 1.043) 7.723 6.030 ( -8.418 6.712 9.642) 14.453 6.200 ( 5.174 -5.212 15.965) 17.573 6.496 ( -5.825 -8.939 -3.187) 11.135 6.791 ( -7.555 0.293 5.642) 9.433 6.929 ( -0.287 -3.797 1.108) 3.966 6.956 ( -4.523 1.363 6.245) 7.830 7.758 ( 6.745 4.128 0.552) 7.927 8.714 ( -9.010 -13.085 3.236) 16.214 8.979 ( -0.329 -7.082 3.873) 8.079 9.537 ( -1.646 0.230 4.357) 4.663 10.254 ( 1.033 10.491 8.072) 13.277 10.909 ( 3.593 12.942 -7.839) 15.552 11.176 ( -17.699 5.370 -5.948) 19.429 12.018 ( 8.851 2.988 -4.880) 10.540 12.154 ( 1.226 9.170 1.673) 9.402 12.756 ( -2.525 -10.804 -1.943) 11.264 13.139 ( -9.235 -0.279 1.029) 9.296 13.832 ( 2.998 3.455 -1.708) 4.882 14.057 ( 5.465 -8.254 -5.884) 11.516 18.029 ( -4.423 -0.875 -1.032) 4.625 18.325 ( 8.470 -7.237 0.277) 11.144 19.342 ( -1.182 -1.658 -6.842) 7.139 19.672 ( -11.968 7.111 0.178) 13.923 21.230 ( 3.367 0.668 -7.367) 8.128 22.619 ( 13.609 5.271 8.973) 17.132 23.500 ( -0.492 4.611 -6.311) 7.831 23.752 ( -2.215 -4.516 -1.401) 5.222 ======================= Grid point 318 (153/432) ======================= q-point: (-0.09 -0.55 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( -12.337 -5.213 2.839) 13.691 3.504 ( -14.756 -8.541 3.607) 17.427 3.766 ( 4.940 4.837 8.679) 11.096 3.948 ( 11.052 0.776 3.515) 11.623 4.124 ( 1.014 -0.850 -4.491) 4.682 4.646 ( 11.511 2.386 -15.027) 19.079 5.202 ( -2.296 4.973 -2.539) 6.037 5.465 ( 1.714 11.019 5.976) 12.652 5.862 ( -9.143 7.711 3.301) 12.407 6.050 ( -3.546 -4.663 11.562) 12.961 6.257 ( -9.091 -1.161 -8.237) 12.322 6.422 ( -7.367 -14.138 -5.474) 16.856 6.847 ( -8.482 -5.612 17.399) 20.153 6.997 ( -0.681 1.369 7.364) 7.521 7.082 ( 3.630 3.352 19.324) 19.946 7.883 ( 13.243 -1.803 -1.683) 13.471 8.730 ( -14.479 -12.032 8.908) 20.827 9.115 ( 1.812 -8.452 5.013) 9.993 9.446 ( -6.655 8.421 -1.831) 10.888 10.263 ( -0.599 6.703 2.196) 7.079 10.834 ( -3.825 -12.553 -9.594) 16.256 10.884 ( 0.261 19.282 1.424) 19.336 12.052 ( 6.008 5.213 2.384) 8.304 12.176 ( 5.188 1.377 0.325) 5.377 12.785 ( -1.507 -9.553 -1.972) 9.870 13.075 ( -4.330 2.331 3.532) 6.054 13.698 ( -4.644 -3.748 -13.653) 14.900 14.242 ( 11.690 2.703 7.984) 14.412 17.944 ( -4.384 0.724 -5.116) 6.776 18.470 ( 8.072 -5.688 -3.465) 10.465 19.281 ( 2.821 6.447 -4.304) 8.249 19.422 ( -16.200 7.651 3.587) 18.272 21.236 ( 6.301 -8.937 -9.470) 14.465 22.776 ( 5.853 10.951 7.886) 14.709 23.435 ( 5.936 3.548 -5.046) 8.561 23.776 ( -1.203 -6.571 1.449) 6.836 ======================= Grid point 325 (154/432) ======================= q-point: (-0.45 0.55 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 8.964 0.000 9.205) 12.848 3.406 ( -5.659 -0.000 5.153) 7.653 3.429 ( 5.481 0.000 7.382) 9.195 3.585 ( 5.422 0.000 9.553) 10.984 4.099 ( -2.617 -0.000 1.495) 3.014 4.312 ( 11.375 0.000 -8.651) 14.291 4.606 ( -4.631 -0.000 29.623) 29.983 4.879 ( -4.527 -0.000 20.141) 20.643 5.720 ( 0.755 0.000 -6.758) 6.800 5.746 ( 13.005 0.000 1.554) 13.097 6.042 ( -6.277 -0.000 18.673) 19.699 6.329 ( 0.586 0.000 2.707) 2.770 6.384 ( 7.302 0.000 6.840) 10.005 6.972 ( -0.348 -0.000 2.543) 2.567 7.347 ( -11.789 -0.000 -4.291) 12.545 7.853 ( 9.625 0.000 -1.457) 9.734 8.527 ( -12.982 -0.000 3.072) 13.341 8.932 ( -1.889 -0.000 2.520) 3.150 9.193 ( 2.983 0.000 6.831) 7.454 10.153 ( 2.418 0.000 14.093) 14.299 11.696 ( -15.113 -0.000 -7.673) 16.949 11.845 ( 4.860 0.000 -8.391) 9.697 11.876 ( 4.218 0.000 -9.221) 10.140 12.425 ( -0.670 -0.000 4.797) 4.844 12.480 ( -6.015 -0.000 6.192) 8.632 13.410 ( 11.434 0.000 12.358) 16.836 13.548 ( -16.460 -0.000 -5.866) 17.474 14.272 ( 3.241 0.000 -24.942) 25.151 17.653 ( 9.893 0.000 15.761) 18.608 18.399 ( -7.221 -0.000 -18.901) 20.233 19.619 ( -9.346 -0.000 -13.086) 16.081 19.849 ( 6.421 0.000 -6.317) 9.007 21.548 ( -6.418 -0.000 1.957) 6.710 21.872 ( 23.770 0.000 13.627) 27.399 23.785 ( -7.495 -0.000 -0.135) 7.497 23.936 ( -4.943 -0.000 -7.997) 9.401 ======================= Grid point 327 (155/432) ======================= q-point: (-0.36 0.55 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.064 ( 16.933 1.620 13.651) 21.810 3.164 ( -12.303 11.346 -4.559) 17.346 3.620 ( 4.542 -6.450 2.692) 8.336 3.794 ( 3.936 4.321 10.227) 11.779 4.027 ( -6.055 -6.114 -3.011) 9.116 4.425 ( 16.840 -5.643 -9.704) 20.238 4.975 ( 1.817 0.970 35.437) 35.496 5.094 ( -4.479 -4.037 21.139) 21.982 5.675 ( 6.636 -0.210 -4.673) 8.119 5.922 ( 10.427 1.706 2.076) 10.768 6.179 ( -1.622 3.223 12.588) 13.094 6.353 ( -2.367 -2.973 4.273) 5.719 6.613 ( 7.964 -4.117 10.482) 13.793 6.940 ( -5.849 1.012 -0.709) 5.978 7.133 ( -11.432 -0.147 -5.982) 12.903 7.908 ( 6.524 7.872 -2.285) 10.476 8.445 ( -12.773 -10.569 4.706) 17.234 8.915 ( -2.870 0.544 1.286) 3.191 9.349 ( 4.582 -2.332 9.538) 10.835 10.321 ( 0.520 2.995 13.065) 13.414 11.352 ( -13.499 3.352 -15.069) 20.507 11.691 ( -0.756 17.752 -4.422) 18.310 11.915 ( 7.481 -7.209 -7.940) 13.076 12.434 ( -5.523 5.975 3.007) 8.674 12.505 ( -1.731 -8.519 3.371) 9.324 13.283 ( -15.472 -0.737 -3.019) 15.781 13.706 ( 11.590 0.905 13.626) 17.911 14.023 ( -0.240 -4.388 -24.631) 25.019 17.938 ( 6.148 -1.841 12.509) 14.059 18.182 ( -1.429 -1.319 -9.498) 9.695 19.401 ( -5.059 -1.663 -9.302) 10.719 19.831 ( 1.016 0.398 -4.942) 5.061 21.442 ( -3.550 4.347 -5.421) 7.803 22.314 ( 19.343 -0.446 13.891) 23.818 23.683 ( -6.831 0.804 -1.414) 7.022 23.780 ( -3.288 -0.271 -8.829) 9.425 ======================= Grid point 328 (156/432) ======================= q-point: (-0.27 0.55 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.842 ( -17.925 4.607 -4.708) 19.097 3.418 ( 5.271 0.079 13.937) 14.900 3.687 ( -1.368 -5.111 -0.525) 5.317 3.825 ( 9.339 8.332 2.358) 12.736 4.088 ( 5.599 -2.133 2.194) 6.381 4.570 ( 16.488 -6.507 -13.390) 22.215 5.249 ( -3.188 -1.691 10.776) 11.364 5.369 ( 2.289 1.916 28.206) 28.364 5.793 ( 9.051 -4.225 -2.871) 10.393 6.079 ( 0.414 -2.236 18.526) 18.665 6.156 ( -4.918 3.069 -2.555) 6.335 6.407 ( -6.441 -2.323 2.914) 7.441 6.799 ( -10.845 0.422 -0.990) 10.899 6.869 ( 7.335 -3.375 8.021) 11.381 6.982 ( -2.962 1.571 3.642) 4.950 7.871 ( 3.933 9.075 -1.095) 9.951 8.455 ( -12.840 -16.156 4.767) 21.181 8.908 ( -1.087 -2.251 1.824) 3.094 9.532 ( 3.626 -0.532 8.848) 9.577 10.399 ( -1.467 6.343 8.585) 10.775 10.981 ( -13.543 -0.265 -16.287) 21.184 11.459 ( -1.599 22.743 -2.662) 22.954 12.002 ( 9.749 -4.739 -5.329) 12.078 12.314 ( -7.233 8.021 2.029) 10.989 12.577 ( -1.444 -9.504 -0.436) 9.623 13.121 ( -9.026 -1.189 1.475) 9.223 13.789 ( -3.059 -7.026 -20.387) 21.780 14.003 ( 12.141 1.119 12.665) 17.580 18.041 ( -1.374 2.192 1.612) 3.048 18.211 ( 5.833 -6.248 1.298) 8.646 19.312 ( 1.023 -1.470 -4.166) 4.534 19.749 ( -6.518 2.343 -2.041) 7.220 21.280 ( 0.508 3.967 -12.093) 12.737 22.687 ( 14.452 2.828 14.248) 20.491 23.561 ( -2.658 2.789 -5.277) 6.534 23.680 ( -2.837 -3.844 -4.786) 6.762 ======================= Grid point 329 (157/432) ======================= q-point: (-0.18 -0.45 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( -21.579 -3.584 -1.290) 21.913 3.327 ( -24.728 -11.514 -0.533) 27.283 3.858 ( 7.940 6.512 7.494) 12.712 3.992 ( 16.023 4.647 5.767) 17.651 4.177 ( 9.780 4.883 -0.323) 10.936 4.644 ( 15.052 -2.355 -15.555) 21.773 5.249 ( -5.951 1.563 -2.002) 6.470 5.625 ( 0.203 6.156 15.347) 16.537 5.880 ( 7.498 -9.354 -3.995) 12.636 6.003 ( -10.088 2.800 0.244) 10.472 6.201 ( -16.854 -3.555 -6.659) 18.467 6.311 ( -6.630 1.120 9.902) 11.969 6.728 ( -11.018 -7.878 16.355) 21.235 7.033 ( 4.289 2.511 7.844) 9.285 7.144 ( 8.041 3.103 14.437) 16.814 7.883 ( 9.434 2.241 -2.598) 10.039 8.471 ( -16.738 -17.219 7.781) 25.243 8.980 ( 2.357 -6.866 2.752) 7.764 9.593 ( -2.420 7.595 3.649) 8.767 10.381 ( -3.498 7.153 1.143) 8.045 10.672 ( -9.929 -6.928 -11.287) 16.552 11.246 ( 2.179 22.737 -0.993) 22.863 12.104 ( 8.370 -0.127 -2.499) 8.736 12.201 ( -7.749 2.003 4.495) 9.179 12.636 ( 2.657 -7.898 -1.743) 8.514 13.088 ( -3.010 -0.132 4.112) 5.097 13.592 ( -5.202 -8.245 -16.239) 18.940 14.289 ( 12.856 2.695 11.694) 17.587 17.976 ( -3.562 2.894 -4.439) 6.385 18.366 ( 7.881 -6.308 1.207) 10.167 19.339 ( 6.221 1.998 -0.187) 6.537 19.563 ( -14.816 7.109 0.685) 16.447 21.148 ( 5.316 -2.067 -15.303) 16.332 22.942 ( 6.514 8.836 13.588) 17.468 23.482 ( 5.334 2.067 -6.960) 9.010 23.658 ( -3.259 -7.266 0.231) 7.967 ======================= Grid point 330 (158/432) ======================= q-point: (-0.09 -0.45 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -23.002 -11.607 1.952) 25.838 3.114 ( -26.055 -18.530 0.473) 31.976 3.912 ( 1.778 6.218 1.500) 6.639 4.072 ( 0.607 4.840 -0.877) 4.956 4.346 ( 16.694 10.340 4.635) 20.176 4.647 ( 10.764 2.366 -13.259) 17.242 5.032 ( -16.063 -0.378 -7.237) 17.622 5.578 ( -2.925 10.342 -2.918) 11.137 5.846 ( -10.924 3.751 -5.132) 12.639 5.974 ( -5.353 -2.197 -1.982) 6.117 6.061 ( -0.336 -7.878 3.880) 8.788 6.254 ( -7.433 -2.684 6.661) 10.336 6.915 ( -6.892 -5.039 19.448) 21.239 7.058 ( -3.351 5.200 2.987) 6.870 7.423 ( 3.790 3.737 22.202) 22.831 7.979 ( 10.860 -1.525 -7.178) 13.106 8.524 ( -15.041 -19.104 13.001) 27.571 9.136 ( 5.019 -9.196 3.683) 11.105 9.445 ( -5.624 14.121 -1.365) 15.261 10.143 ( -14.739 1.682 -10.086) 17.939 10.675 ( 4.627 -6.934 1.409) 8.455 11.126 ( 6.126 16.636 -0.633) 17.740 12.143 ( -2.176 0.237 4.680) 5.167 12.208 ( -1.156 -4.439 2.846) 5.398 12.761 ( 9.993 -4.998 -0.217) 11.175 13.113 ( 0.177 2.513 4.402) 5.072 13.416 ( -7.451 -7.290 -11.424) 15.466 14.552 ( 14.118 5.021 9.076) 17.518 17.787 ( -5.376 2.124 -14.837) 15.923 18.552 ( 10.757 -2.027 3.872) 11.611 19.282 ( -15.802 9.920 1.540) 18.721 19.427 ( 7.831 4.020 1.993) 9.025 21.103 ( 6.831 -8.940 -15.372) 19.050 22.996 ( -3.677 13.223 9.279) 16.567 23.505 ( 10.983 1.325 -6.380) 12.771 23.740 ( -1.088 -8.283 7.922) 11.513 ======================= Grid point 338 (159/432) ======================= q-point: (-0.36 -0.36 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( -23.130 -0.000 -6.091) 23.918 3.409 ( -1.926 -0.000 10.437) 10.613 3.644 ( 7.980 0.000 1.136) 8.060 3.952 ( 11.469 0.000 -3.262) 11.924 4.038 ( 5.798 0.000 11.042) 12.472 4.501 ( 18.172 0.000 -12.770) 22.210 5.213 ( -5.507 -0.000 14.413) 15.429 5.403 ( 4.273 0.000 25.434) 25.790 5.743 ( 10.910 0.000 -1.993) 11.091 6.059 ( 1.764 0.000 7.728) 7.926 6.193 ( -8.576 -0.000 2.592) 8.959 6.391 ( -6.036 -0.000 5.519) 8.178 6.801 ( -11.651 -0.000 -3.500) 12.166 6.838 ( 9.728 0.000 9.842) 13.838 6.997 ( -2.090 -0.000 3.635) 4.192 7.992 ( 6.254 0.000 -4.925) 7.960 8.272 ( -17.749 -0.000 9.266) 20.022 8.890 ( -1.907 -0.000 0.572) 1.991 9.527 ( 5.375 0.000 10.520) 11.813 10.453 ( -1.694 -0.000 9.046) 9.203 10.974 ( -16.712 -0.000 -16.903) 23.770 11.760 ( 0.686 0.000 -7.357) 7.389 11.871 ( 9.558 0.000 -3.709) 10.253 12.385 ( -10.710 -0.000 2.243) 10.943 12.489 ( -0.352 -0.000 2.012) 2.042 13.111 ( -8.449 -0.000 1.789) 8.636 13.715 ( -1.913 -0.000 -22.527) 22.608 14.019 ( 11.287 0.000 14.102) 18.063 18.080 ( 0.350 0.000 4.458) 4.472 18.140 ( 4.203 0.000 -0.280) 4.212 19.299 ( 2.142 0.000 -3.391) 4.010 19.765 ( -4.792 -0.000 -2.756) 5.528 21.320 ( -0.287 -0.000 -13.957) 13.960 22.711 ( 14.775 0.000 16.620) 22.238 23.590 ( -6.856 -0.000 -0.357) 6.865 23.640 ( 0.150 0.000 -10.734) 10.735 ======================= Grid point 339 (160/432) ======================= q-point: (-0.27 -0.36 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( -27.241 -1.001 -1.630) 27.309 3.171 ( -28.026 -5.706 -3.700) 28.839 3.952 ( 13.641 3.453 9.553) 17.008 4.107 ( 16.332 8.280 2.690) 18.507 4.212 ( 9.883 -2.037 2.104) 10.308 4.596 ( 18.098 -2.229 -13.653) 22.780 5.283 ( -3.962 2.696 6.069) 7.733 5.555 ( -6.218 -9.213 1.224) 11.182 5.842 ( 8.080 3.066 -4.128) 9.577 6.020 ( -3.751 -0.614 -5.916) 7.032 6.186 ( -14.503 0.343 -2.249) 14.681 6.369 ( -8.326 4.115 29.558) 30.983 6.607 ( -14.328 -5.552 4.130) 15.912 7.061 ( 8.760 0.756 6.859) 11.151 7.179 ( 9.988 1.167 14.478) 17.628 7.961 ( 3.434 6.411 -3.463) 8.055 8.210 ( -18.594 -12.456 9.895) 24.470 8.900 ( 1.230 -2.481 0.758) 2.871 9.679 ( 1.933 2.611 7.271) 7.963 10.488 ( -3.948 5.396 0.614) 6.714 10.582 ( -12.459 -4.417 -12.204) 17.991 11.587 ( -0.314 15.364 -6.683) 16.758 12.028 ( 9.471 -6.999 -1.472) 11.868 12.254 ( -11.923 3.208 4.876) 13.275 12.530 ( 1.875 -4.393 1.115) 4.905 13.089 ( -1.393 0.410 4.321) 4.558 13.467 ( -3.746 -5.048 -18.007) 19.072 14.323 ( 12.297 1.103 13.062) 17.974 18.025 ( -4.029 2.295 -6.129) 7.685 18.278 ( 8.258 -3.459 5.636) 10.579 19.363 ( 7.355 0.826 2.472) 7.804 19.637 ( -11.449 1.943 -0.472) 11.623 21.142 ( 4.073 0.447 -19.737) 20.158 23.057 ( 8.336 4.267 19.287) 21.441 23.502 ( -1.765 0.215 -2.853) 3.362 23.558 ( 0.570 -3.593 -7.479) 8.317 ======================= Grid point 340 (161/432) ======================= q-point: (-0.18 -0.36 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -28.958 -5.025 4.899) 29.797 2.823 ( -31.175 -14.747 -2.548) 34.581 4.037 ( 0.267 7.992 -1.660) 8.167 4.158 ( 2.286 4.161 0.603) 4.786 4.484 ( 21.570 5.490 2.970) 22.455 4.681 ( 14.873 2.114 -9.990) 18.041 5.047 ( -20.937 3.150 -9.606) 23.250 5.604 ( -12.271 -14.644 5.971) 20.018 5.791 ( 6.080 3.899 -13.244) 15.086 5.948 ( -4.015 -2.555 -7.222) 8.649 6.001 ( -2.766 0.085 2.442) 3.691 6.334 ( -12.147 8.022 12.317) 19.068 6.815 ( -7.861 -6.521 28.432) 30.211 7.160 ( 1.106 6.434 2.935) 7.158 7.478 ( 8.826 2.331 16.697) 19.029 7.963 ( 8.611 -0.157 -5.884) 10.430 8.206 ( -20.587 -17.090 14.530) 30.446 8.989 ( 5.034 -7.067 0.996) 8.733 9.665 ( -3.516 10.494 1.917) 11.232 10.152 ( -15.250 -0.110 -14.698) 21.181 10.623 ( 5.983 -0.628 4.505) 7.516 11.392 ( 0.822 13.247 -6.211) 14.654 12.134 ( -1.331 -3.229 2.387) 4.230 12.169 ( -5.730 3.075 5.933) 8.803 12.665 ( 8.569 -6.973 2.728) 11.379 13.141 ( 1.863 1.254 4.721) 5.228 13.285 ( -5.620 -7.343 -12.837) 15.820 14.615 ( 13.852 2.500 10.889) 17.796 17.820 ( -5.172 1.643 -15.959) 16.856 18.514 ( 11.200 -2.089 8.684) 14.325 19.420 ( -16.578 5.825 0.300) 17.574 19.492 ( 8.654 3.452 4.154) 10.201 20.997 ( 7.470 -3.902 -20.645) 22.299 23.207 ( -4.136 12.167 12.333) 17.812 23.518 ( 10.518 -0.070 -10.604) 14.936 23.590 ( -0.765 -9.337 11.760) 15.035 ======================= Grid point 341 (162/432) ======================= q-point: (-0.09 -0.36 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( -29.355 -9.522 8.598) 32.036 2.589 ( -29.190 -23.356 2.126) 37.444 3.818 ( -14.273 -1.397 -14.072) 20.092 4.164 ( 3.283 9.849 3.402) 10.925 4.493 ( -17.523 6.081 -2.696) 18.743 4.656 ( 4.963 7.015 -6.451) 10.746 4.842 ( 4.850 0.835 0.622) 4.961 5.481 ( -16.411 1.049 -0.239) 16.446 5.698 ( 2.223 1.715 -5.856) 6.494 5.925 ( 5.907 -3.323 -6.106) 9.122 6.054 ( 2.456 -2.284 1.116) 3.535 6.342 ( -5.567 4.122 16.797) 18.170 6.999 ( -6.613 -2.221 13.712) 15.385 7.071 ( -6.750 8.956 1.793) 11.357 7.688 ( -2.207 3.582 14.949) 15.530 7.969 ( 0.661 -1.379 -5.221) 5.441 8.360 ( -7.035 -20.966 14.217) 26.291 9.178 ( 9.702 -11.201 2.047) 14.959 9.488 ( -5.567 16.324 -1.318) 17.298 9.837 ( -11.379 -1.002 -9.799) 15.050 10.761 ( 6.572 0.372 2.777) 7.144 11.260 ( 2.936 7.924 -5.116) 9.879 12.134 ( -9.566 1.207 8.614) 12.929 12.184 ( -1.262 -4.699 3.932) 6.256 12.890 ( 13.331 -4.209 -1.623) 14.074 13.161 ( -7.068 -9.878 -1.691) 12.263 13.216 ( 3.675 3.355 4.299) 6.577 14.879 ( 15.454 4.898 6.969) 17.646 17.510 ( -5.559 1.665 -23.239) 23.953 18.785 ( 12.743 0.338 9.725) 16.033 19.152 ( -15.637 5.789 0.409) 16.680 19.616 ( 9.170 4.709 3.397) 10.854 20.925 ( 7.221 -8.333 -18.516) 21.550 23.106 ( -9.633 13.701 6.314) 17.900 23.543 ( 8.371 -3.014 -7.652) 11.735 23.860 ( 3.465 -3.782 19.102) 19.779 ======================= Grid point 350 (163/432) ======================= q-point: (-0.27 -0.27 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -31.230 -0.000 7.447) 32.106 2.688 ( -33.328 -0.000 -5.032) 33.706 4.127 ( -7.922 -0.000 -7.023) 10.587 4.182 ( 9.512 0.000 3.461) 10.122 4.529 ( 24.927 0.000 3.389) 25.156 4.699 ( 16.054 0.000 -7.555) 17.742 5.124 ( -28.136 -0.000 -14.617) 31.706 5.397 ( -0.864 -0.000 9.197) 9.238 5.867 ( 4.786 0.000 -10.853) 11.861 5.904 ( -6.668 -0.000 -8.099) 10.491 6.002 ( -4.209 -0.000 0.445) 4.233 6.422 ( -12.667 -0.000 8.037) 15.001 6.743 ( -7.397 -0.000 35.928) 36.681 7.228 ( 7.371 0.000 2.218) 7.697 7.495 ( 9.321 0.000 15.039) 17.693 7.979 ( 4.462 0.000 -7.030) 8.326 8.030 ( -23.524 -0.000 18.314) 29.812 8.927 ( 4.361 0.000 -0.110) 4.362 9.758 ( -1.718 -0.000 3.602) 3.991 10.149 ( -14.864 -0.000 -16.583) 22.270 10.622 ( 5.834 0.000 5.426) 7.967 11.507 ( -4.226 -0.000 -9.645) 10.530 12.107 ( 7.189 0.000 -2.127) 7.497 12.222 ( -9.648 -0.000 11.641) 15.120 12.577 ( 3.633 0.000 5.275) 6.405 13.158 ( 2.929 0.000 4.528) 5.393 13.211 ( -3.879 -0.000 -14.229) 14.748 14.636 ( 13.599 0.000 11.537) 17.833 17.835 ( -5.154 -0.000 -16.726) 17.502 18.495 ( 11.136 0.000 10.767) 15.490 19.468 ( -15.635 -0.000 -0.084) 15.635 19.524 ( 8.480 0.000 5.434) 10.071 20.966 ( 7.457 0.000 -23.355) 24.516 23.383 ( -1.667 -0.000 19.737) 19.807 23.422 ( -7.507 -0.000 1.910) 7.746 23.531 ( 14.550 0.000 -6.881) 16.095 ======================= Grid point 351 (164/432) ======================= q-point: (-0.18 -0.27 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -32.764 0.340 16.174) 36.540 2.254 ( -34.324 -13.877 -0.808) 37.032 3.803 ( -20.007 -0.426 -19.299) 27.801 4.306 ( 6.386 5.704 4.233) 9.551 4.574 ( -28.414 2.582 -3.234) 28.714 4.773 ( 9.563 6.054 -5.110) 12.418 4.830 ( 12.963 -1.732 -1.363) 13.149 5.432 ( -13.629 -4.183 4.498) 14.949 5.731 ( -5.395 1.311 -1.833) 5.847 5.855 ( 15.052 -2.881 -10.937) 18.828 6.027 ( 3.137 -0.626 1.708) 3.626 6.416 ( -7.705 2.891 14.884) 17.008 6.966 ( -7.539 -1.339 17.836) 19.410 7.255 ( 0.455 10.418 0.041) 10.428 7.690 ( -3.390 -3.830 8.741) 10.128 7.957 ( 1.008 0.726 -3.623) 3.830 8.069 ( -12.149 -11.026 22.603) 27.930 9.029 ( 8.794 -5.236 0.210) 10.237 9.709 ( -4.261 8.425 -0.036) 9.441 9.823 ( -8.961 -1.020 -12.538) 15.445 10.773 ( 8.260 0.506 4.157) 9.261 11.339 ( -3.073 1.470 -8.787) 9.424 12.133 ( 3.422 -1.327 -4.943) 6.156 12.241 ( -10.109 9.173 19.526) 23.824 12.759 ( 6.974 -9.978 6.893) 13.990 13.036 ( -4.982 -3.486 -9.315) 11.124 13.254 ( 4.554 1.153 4.152) 6.269 14.932 ( 15.122 1.559 8.524) 17.429 17.530 ( -4.999 0.656 -24.356) 24.873 18.781 ( 12.117 -0.359 11.868) 16.964 19.232 ( -16.913 2.851 -1.596) 17.226 19.679 ( 7.170 2.294 5.172) 9.133 20.826 ( 8.988 -3.210 -21.725) 23.729 23.304 ( -7.822 9.137 4.411) 12.812 23.477 ( 4.892 -4.748 -4.938) 8.418 23.809 ( 6.505 -1.844 21.277) 22.325 ======================= Grid point 352 (165/432) ======================= q-point: (-0.09 -0.27 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -33.341 -2.849 15.010) 36.675 2.052 ( -30.859 -23.527 7.469) 39.517 3.216 ( -38.591 -9.272 -17.010) 43.181 4.252 ( -14.824 5.195 7.274) 17.311 4.410 ( 2.368 7.926 7.176) 10.951 4.705 ( -0.329 9.909 -4.919) 11.068 4.910 ( 1.895 -0.980 -3.189) 3.837 5.291 ( -10.720 -0.371 0.518) 10.739 5.730 ( 1.904 -0.362 5.448) 5.782 5.981 ( 13.019 2.415 -5.078) 14.181 6.115 ( 6.145 -1.300 0.914) 6.348 6.483 ( -3.924 2.887 12.890) 13.780 6.976 ( -6.696 0.328 -0.503) 6.723 7.110 ( -8.531 13.863 4.841) 16.983 7.701 ( -12.283 -6.205 4.370) 14.439 7.926 ( -0.786 3.066 1.250) 3.403 8.317 ( -1.489 -16.833 13.270) 21.486 9.254 ( 13.125 -10.843 1.505) 17.091 9.523 ( -4.613 12.226 -3.046) 13.418 9.653 ( -4.415 1.707 -4.614) 6.610 10.884 ( 5.762 4.719 0.095) 7.448 11.221 ( -1.075 -2.204 -6.520) 6.966 12.104 ( -1.039 1.935 -3.482) 4.117 12.253 ( -10.773 8.748 19.123) 23.628 12.872 ( -0.604 -0.268 -9.391) 9.414 13.124 ( 7.269 -20.397 12.290) 24.898 13.344 ( 4.319 2.831 3.898) 6.470 15.180 ( 15.707 4.068 3.248) 16.547 17.165 ( -5.998 0.373 -23.545) 24.300 18.981 ( -13.154 1.172 -2.857) 13.511 19.073 ( 12.181 0.009 10.829) 16.299 19.793 ( 6.390 2.813 3.665) 7.885 20.749 ( 7.696 -5.644 -18.097) 20.459 23.144 ( -11.235 13.790 4.841) 18.435 23.538 ( 8.279 -4.245 -5.752) 10.938 24.152 ( 3.609 0.390 25.032) 25.294 ======================= Grid point 362 (166/432) ======================= q-point: (-0.18 -0.18 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( -33.421 -0.000 26.560) 42.690 1.720 ( -35.517 -0.000 1.882) 35.566 3.142 ( -41.758 -0.000 -20.203) 46.388 4.300 ( -18.671 -0.000 8.673) 20.587 4.480 ( 5.865 0.000 6.903) 9.058 4.842 ( 2.576 0.000 -2.656) 3.701 4.849 ( 0.098 0.000 -8.179) 8.180 5.286 ( -10.617 -0.000 1.450) 10.715 5.719 ( 0.080 0.000 7.960) 7.960 6.008 ( 21.753 0.000 -6.846) 22.805 6.091 ( 2.739 0.000 2.402) 3.643 6.508 ( -4.911 -0.000 13.425) 14.295 6.974 ( -7.831 -0.000 1.622) 7.998 7.322 ( 2.378 0.000 -2.234) 3.263 7.561 ( -18.502 -0.000 5.814) 19.394 7.991 ( 8.238 0.000 -4.729) 9.499 8.135 ( -14.093 -0.000 24.634) 28.380 9.155 ( 12.446 0.000 1.598) 12.548 9.608 ( -1.487 -0.000 -11.274) 11.372 9.701 ( -4.896 -0.000 0.653) 4.939 10.919 ( 8.009 0.000 1.905) 8.232 11.192 ( -4.282 -0.000 -8.320) 9.357 12.105 ( 3.001 0.000 -5.286) 6.079 12.468 ( -6.218 -0.000 26.694) 27.409 12.826 ( 3.417 0.000 2.269) 4.102 12.881 ( -4.844 -0.000 -3.356) 5.893 13.367 ( 4.654 0.000 3.959) 6.110 15.213 ( 15.265 0.000 4.423) 15.893 17.169 ( -5.893 -0.000 -24.806) 25.496 18.985 ( -14.234 -0.000 -1.180) 14.283 19.080 ( 10.635 0.000 7.929) 13.266 19.819 ( 4.325 0.000 4.484) 6.230 20.699 ( 9.429 0.000 -18.748) 20.986 23.280 ( -9.026 -0.000 4.258) 9.980 23.488 ( 8.668 0.000 -5.132) 10.073 24.154 ( 4.160 0.000 27.523) 27.835 ======================= Grid point 363 (167/432) ======================= q-point: (-0.09 -0.18 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -32.695 -2.168 13.124) 35.297 1.586 ( -35.373 -10.274 7.304) 37.551 2.467 ( -50.355 -10.822 11.642) 52.804 4.213 ( -10.102 2.611 7.140) 12.643 4.583 ( -3.003 5.098 4.102) 7.199 4.693 ( -0.977 7.281 -1.235) 7.449 4.883 ( -0.782 -1.956 6.842) 7.159 5.185 ( -4.492 -2.188 -2.547) 5.608 5.918 ( 10.863 1.521 13.279) 17.224 6.113 ( 3.683 4.884 0.259) 6.123 6.187 ( 7.771 -1.518 -2.662) 8.353 6.589 ( 0.313 3.545 5.560) 6.602 6.802 ( -7.404 -3.282 -13.301) 15.572 7.189 ( -9.234 19.935 4.673) 22.462 7.486 ( -12.776 -12.795 5.064) 18.777 8.015 ( 3.005 8.743 2.530) 9.584 8.305 ( 0.069 -15.887 9.339) 18.429 9.357 ( 10.603 -6.672 0.901) 12.560 9.497 ( 3.017 1.920 -7.936) 8.704 9.619 ( -4.896 5.469 1.201) 7.438 10.951 ( -2.241 9.032 -7.033) 11.665 11.092 ( 0.131 -9.021 -3.176) 9.565 12.087 ( 2.752 2.017 -4.184) 5.399 12.453 ( -12.162 29.037 11.869) 33.645 12.777 ( -1.717 -0.489 -3.311) 3.762 13.111 ( 6.324 -32.804 4.197) 33.670 13.450 ( 3.038 1.634 1.731) 3.859 15.408 ( 13.448 2.553 -1.978) 13.830 16.942 ( -1.534 -0.173 3.226) 3.576 18.769 ( -9.776 -3.168 -6.120) 11.961 19.330 ( 9.466 -0.086 9.393) 13.336 19.900 ( 2.548 0.111 2.637) 3.668 20.633 ( 8.710 -1.584 -15.468) 17.822 23.166 ( -10.704 11.367 5.594) 16.585 23.566 ( 9.553 -2.582 -4.668) 10.942 24.503 ( 4.976 3.467 21.513) 22.351 ======================= Grid point 374 (168/432) ======================= q-point: (-0.09 -0.09 0.15) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -39.468 -0.000 -0.656) 39.473 1.100 ( -27.766 -0.000 19.041) 33.668 2.190 ( -45.263 -0.000 52.834) 69.572 4.158 ( -7.396 -0.000 2.568) 7.829 4.463 ( -10.419 -0.000 -3.108) 10.873 4.840 ( 8.156 0.000 2.987) 8.686 5.058 ( 1.779 0.000 20.088) 20.167 5.075 ( -3.634 -0.000 -2.495) 4.408 6.095 ( -7.020 -0.000 -2.468) 7.441 6.175 ( 0.402 0.000 -8.831) 8.840 6.307 ( 8.803 0.000 4.103) 9.712 6.448 ( 2.430 0.000 -8.830) 9.158 6.742 ( 9.226 0.000 3.164) 9.753 7.257 ( -17.314 -0.000 13.992) 22.261 7.344 ( -1.208 -0.000 1.241) 1.732 8.191 ( 8.683 0.000 1.895) 8.887 8.240 ( -2.401 -0.000 -4.629) 5.214 9.380 ( 0.574 0.000 -3.771) 3.815 9.535 ( 11.561 0.000 -2.202) 11.768 9.616 ( -3.159 -0.000 3.737) 4.893 10.680 ( -26.112 -0.000 -14.324) 29.783 11.076 ( 4.303 0.000 -2.043) 4.763 12.093 ( 3.135 0.000 -4.274) 5.301 12.534 ( -16.502 -0.000 -10.911) 19.783 12.641 ( -1.964 -0.000 -7.461) 7.715 12.952 ( -1.084 -0.000 4.870) 4.989 13.476 ( 1.346 0.000 -1.916) 2.342 15.510 ( 8.970 0.000 -8.112) 12.094 17.468 ( 36.211 0.000 50.558) 62.188 18.564 ( -5.583 -0.000 -7.728) 9.534 19.522 ( 4.208 0.000 7.880) 8.933 19.923 ( -0.562 -0.000 -0.753) 0.939 20.590 ( 10.500 0.000 -12.773) 16.535 23.168 ( -8.670 -0.000 6.658) 10.932 23.629 ( 8.983 0.000 -3.741) 9.731 24.650 ( -6.386 -0.000 -10.472) 12.266 ======================= Grid point 375 (169/432) ======================= q-point: ( 0.00 0.00 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -5.452 -0.000 32.822) 33.272 2.142 ( 8.423 0.000 26.541) 27.845 3.577 ( -3.078 -0.000 37.272) 37.399 4.063 ( -3.844 -0.000 -6.899) 7.898 4.630 ( 5.432 0.000 13.908) 14.931 4.756 ( 12.171 0.000 -12.226) 17.251 5.170 ( -9.704 -0.000 -13.113) 16.313 5.357 ( -11.107 -0.000 -9.246) 14.451 5.564 ( 3.988 0.000 9.687) 10.476 5.876 ( -7.692 -0.000 11.614) 13.930 6.199 ( -8.569 -0.000 13.284) 15.808 6.912 ( 1.793 0.000 -8.415) 8.604 7.199 ( -4.381 -0.000 2.842) 5.223 7.203 ( -19.545 -0.000 8.333) 21.247 7.348 ( 8.309 0.000 -4.647) 9.520 7.899 ( -10.075 -0.000 31.250) 32.834 8.765 ( 1.014 0.000 14.245) 14.281 9.056 ( 1.950 0.000 -3.514) 4.019 9.640 ( -11.782 -0.000 -1.123) 11.836 9.765 ( -0.696 -0.000 -0.558) 0.891 10.369 ( 18.550 0.000 9.381) 20.788 10.920 ( -1.007 -0.000 -8.147) 8.209 11.777 ( 3.240 0.000 -11.931) 12.363 12.268 ( -4.583 -0.000 -8.149) 9.349 12.506 ( -0.356 -0.000 13.151) 13.156 13.170 ( 8.046 0.000 1.703) 8.225 13.369 ( -1.230 -0.000 -3.225) 3.452 14.862 ( -1.561 -0.000 -21.429) 21.486 18.241 ( 8.438 0.000 -8.587) 12.038 19.272 ( -13.014 -0.000 -15.443) 20.196 19.446 ( -16.602 -0.000 -1.248) 16.649 19.583 ( 21.088 0.000 -0.733) 21.100 20.872 ( 25.483 0.000 5.357) 26.040 22.817 ( -37.626 -0.000 -9.185) 38.731 23.254 ( -7.206 -0.000 4.972) 8.755 23.709 ( 7.697 0.000 -3.499) 8.455 ======================= Grid point 376 (170/432) ======================= q-point: ( 0.09 0.00 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( -0.395 -2.472 32.453) 32.550 2.538 ( 9.701 -3.763 21.625) 23.998 3.931 ( 3.953 5.872 1.397) 7.215 4.045 ( 5.392 -6.975 18.948) 20.899 4.678 ( 3.347 11.400 -13.491) 17.977 4.759 ( -9.504 0.559 4.750) 10.639 4.948 ( 4.681 -3.725 -13.208) 14.500 5.068 ( -10.600 -4.371 -13.725) 17.884 5.777 ( 4.705 6.133 13.502) 15.558 5.919 ( -5.834 -8.193 11.870) 15.558 6.312 ( -6.439 -0.108 22.352) 23.261 6.772 ( -2.502 2.205 -10.152) 10.685 7.027 ( -13.801 2.970 6.196) 15.416 7.184 ( -6.726 0.576 6.041) 9.059 7.388 ( -2.380 1.229 2.309) 3.536 8.115 ( -7.906 8.754 29.628) 31.890 8.861 ( -2.883 2.615 8.617) 9.456 9.211 ( 8.455 -11.797 7.031) 16.127 9.494 ( -6.601 0.803 -0.939) 6.716 9.731 ( -2.277 -1.516 -3.141) 4.165 10.602 ( 11.003 17.291 1.909) 20.584 10.945 ( 5.505 -22.261 -1.618) 22.988 11.706 ( 6.011 -0.069 -12.289) 13.680 12.079 ( -2.989 6.125 -9.202) 11.451 12.690 ( 0.457 -7.532 11.466) 13.726 13.291 ( 2.810 1.934 -1.041) 3.567 13.330 ( 4.795 -3.108 -0.669) 5.753 14.573 ( -4.512 3.088 -19.008) 19.779 18.272 ( 11.707 1.349 -8.158) 14.332 18.812 ( -16.606 11.163 -16.168) 25.725 19.264 ( -16.402 -9.913 -2.299) 19.302 19.736 ( 3.359 -0.109 -1.356) 3.624 21.275 ( 22.805 2.660 10.513) 25.252 22.321 ( -18.248 4.292 -8.391) 20.538 23.247 ( -5.771 -6.289 1.811) 8.725 23.769 ( 6.838 -0.350 -2.850) 7.416 ======================= Grid point 377 (171/432) ======================= q-point: ( 0.18 0.00 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 2.853 -0.125 27.456) 27.604 2.973 ( 13.575 -8.598 18.881) 24.793 3.879 ( 3.988 6.720 -5.855) 9.765 4.335 ( -8.079 3.017 6.156) 10.596 4.443 ( 5.786 4.799 -4.685) 8.858 4.559 ( -5.122 5.745 -14.162) 16.118 4.815 ( -7.515 -7.052 -4.154) 11.111 5.040 ( 5.086 -11.119 -9.311) 15.369 5.873 ( -5.341 -0.103 13.324) 14.355 6.148 ( 2.039 -3.001 16.693) 17.083 6.463 ( -4.562 1.068 10.651) 11.635 6.615 ( -3.222 -1.592 -7.546) 8.357 6.936 ( -4.871 1.069 1.753) 5.286 7.153 ( -7.411 1.356 6.337) 9.845 7.382 ( -7.958 5.140 16.986) 19.449 8.164 ( -8.113 21.033 18.351) 29.068 8.909 ( -7.130 -8.026 8.679) 13.805 9.398 ( -6.522 2.644 6.529) 9.600 9.518 ( 4.316 -6.151 0.510) 7.532 9.739 ( 7.609 -5.488 3.690) 10.082 10.533 ( -0.491 3.676 -4.365) 5.728 11.247 ( 9.602 -9.177 4.337) 13.972 11.606 ( 4.252 1.125 -13.513) 14.210 11.957 ( 7.157 4.451 -6.909) 10.898 12.877 ( -0.925 -9.421 8.450) 12.689 13.218 ( -4.708 2.646 -1.568) 5.624 13.482 ( 10.520 -4.325 -1.234) 11.441 14.287 ( -4.502 4.796 -13.627) 15.132 18.284 ( 1.169 5.964 -11.212) 12.753 18.399 ( -3.015 3.330 -10.533) 11.451 19.129 ( -12.580 -8.741 -1.548) 15.397 19.675 ( -10.374 -0.637 -0.038) 10.393 21.559 ( 9.600 14.263 7.702) 18.839 22.139 ( 4.812 -8.685 -6.675) 11.964 23.248 ( -2.542 -5.103 -0.215) 5.705 23.824 ( 5.736 0.391 -1.838) 6.036 ======================= Grid point 378 (172/432) ======================= q-point: ( 0.27 0.00 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( -0.184 4.422 18.093) 18.626 3.438 ( 14.887 -10.098 14.838) 23.318 3.795 ( 0.283 6.576 -0.990) 6.656 4.112 ( -8.043 6.492 -8.280) 13.243 4.289 ( -5.840 4.372 -11.925) 13.979 4.409 ( -0.904 4.627 -3.666) 5.972 4.931 ( 5.632 -12.715 4.520) 14.622 5.073 ( 3.166 -13.651 -11.494) 18.124 5.920 ( -12.554 -3.111 10.175) 16.456 6.304 ( -6.492 -1.390 4.508) 8.025 6.338 ( -8.440 3.841 -0.230) 9.276 6.580 ( -0.784 -1.670 -3.749) 4.179 6.928 ( 0.829 -1.440 1.350) 2.141 7.133 ( -4.563 2.254 7.055) 8.700 7.524 ( -6.576 7.403 32.176) 33.665 8.029 ( -3.832 18.203 3.693) 18.965 8.997 ( -11.823 -11.476 12.474) 20.666 9.341 ( -7.106 0.705 2.890) 7.703 9.486 ( -1.476 9.339 -0.107) 9.455 10.061 ( 11.623 -7.518 8.330) 16.155 10.489 ( -2.567 -10.068 -2.021) 10.585 11.200 ( -0.432 15.416 -9.349) 18.035 11.747 ( 16.392 -7.933 3.363) 18.519 12.000 ( 11.971 0.528 -5.127) 13.034 13.000 ( -3.129 -7.503 5.109) 9.601 13.098 ( -6.840 5.614 0.050) 8.849 13.587 ( 4.017 -5.016 -7.361) 9.771 14.129 ( 3.337 1.603 -4.260) 5.643 17.989 ( -9.434 2.475 -12.846) 16.129 18.395 ( 7.889 0.072 -5.720) 9.745 19.069 ( -3.702 -5.810 -0.167) 6.891 19.522 ( -15.963 -3.231 1.857) 16.393 21.467 ( 2.304 17.374 -7.376) 19.015 22.386 ( 12.635 -13.448 5.710) 19.316 23.268 ( 2.140 -3.146 -1.575) 4.118 23.868 ( 4.339 1.857 -0.045) 4.720 ======================= Grid point 379 (173/432) ======================= q-point: (-0.64 0.00 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( -12.805 10.391 7.150) 17.974 3.693 ( -7.627 3.087 2.651) 8.644 3.844 ( -1.504 -2.379 1.565) 3.221 3.972 ( 12.722 -2.814 4.105) 13.661 4.054 ( -5.610 5.422 -5.947) 9.810 4.382 ( 6.163 -1.391 -4.948) 8.025 5.091 ( -1.502 -9.377 -3.847) 10.246 5.138 ( 7.554 -10.415 -3.684) 13.383 5.803 ( -21.193 -9.312 -0.488) 23.154 6.101 ( -6.757 4.339 -5.755) 9.880 6.278 ( -13.907 -0.188 5.106) 14.816 6.520 ( -2.806 1.957 -0.997) 3.563 6.990 ( 2.546 -1.350 2.092) 3.561 7.146 ( -2.899 3.179 6.583) 7.864 7.752 ( -4.809 6.058 25.610) 26.752 7.918 ( 2.003 8.572 2.123) 9.055 9.044 ( -15.608 -8.955 10.473) 20.820 9.285 ( -5.650 2.326 3.985) 7.295 9.385 ( -1.294 8.884 1.068) 9.041 10.145 ( -9.083 -4.264 -4.097) 10.838 10.677 ( 9.335 -13.661 6.712) 17.855 10.982 ( 5.617 21.282 -5.577) 22.706 12.000 ( 12.768 -1.237 -4.324) 13.537 12.187 ( 15.281 -4.033 7.107) 17.329 12.959 ( -6.969 9.406 2.973) 12.078 13.051 ( -3.100 -6.442 1.716) 7.352 13.495 ( -4.449 -1.165 -8.988) 10.096 14.252 ( 12.512 -6.668 0.226) 14.180 17.708 ( -9.167 -1.298 -15.956) 18.448 18.468 ( 7.192 -0.911 2.621) 7.709 19.126 ( 4.211 -5.599 0.164) 7.008 19.382 ( -14.132 -5.026 2.440) 15.197 21.240 ( 3.710 15.685 -14.103) 21.417 22.708 ( 4.086 -14.315 8.962) 17.377 23.325 ( 8.544 0.128 -2.607) 8.933 23.913 ( 3.213 2.844 3.577) 5.586 ======================= Grid point 380 (174/432) ======================= q-point: (-0.55 0.00 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( -21.632 11.668 7.545) 25.710 3.365 ( -23.173 8.479 -6.563) 25.534 3.898 ( 1.664 3.973 3.630) 5.633 3.958 ( 0.826 -2.927 -1.243) 3.285 4.260 ( 7.721 -8.155 2.616) 11.531 4.484 ( 8.187 -4.580 2.636) 9.744 4.989 ( -14.913 3.043 -2.066) 15.360 5.250 ( 8.676 -9.392 -7.134) 14.641 5.599 ( -16.010 -12.404 -5.956) 21.110 5.979 ( -2.497 3.282 0.576) 4.164 6.133 ( -13.124 -2.377 0.558) 13.349 6.477 ( -5.819 -1.418 4.369) 7.414 7.032 ( -0.476 -0.502 0.468) 0.836 7.144 ( -2.106 3.318 3.778) 5.452 7.804 ( 4.807 2.407 -3.877) 6.628 8.020 ( -6.661 4.098 21.562) 22.936 8.959 ( -16.601 0.476 5.649) 17.542 9.250 ( -6.238 -2.936 3.912) 7.927 9.360 ( 2.245 6.314 3.521) 7.571 9.947 ( -12.967 -2.538 -5.786) 14.424 10.853 ( 5.217 15.126 -3.346) 16.347 10.984 ( 10.677 -5.732 7.129) 14.060 12.062 ( 8.937 0.682 -8.188) 12.139 12.497 ( 8.384 0.430 12.310) 14.900 12.840 ( -2.784 8.186 0.462) 8.659 13.102 ( 0.582 -5.627 2.595) 6.224 13.363 ( -4.247 -0.104 -2.244) 4.805 14.501 ( 14.819 -10.674 -1.765) 18.348 17.402 ( -9.458 -0.814 -17.263) 19.701 18.667 ( 9.503 -3.045 9.588) 13.839 19.196 ( -7.338 -5.540 1.872) 9.383 19.354 ( 5.617 -5.362 -0.491) 7.781 20.993 ( 4.688 14.108 -16.755) 22.399 22.899 ( -6.918 -15.319 5.829) 17.790 23.422 ( 12.978 4.059 -3.095) 13.946 24.013 ( 3.834 1.249 10.345) 11.104 ======================= Grid point 381 (175/432) ======================= q-point: (-0.45 0.00 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( -25.971 11.191 13.226) 31.220 2.866 ( -27.758 10.392 -8.789) 30.915 3.847 ( -6.856 14.676 5.811) 17.209 4.069 ( 3.641 -10.527 2.698) 11.461 4.349 ( -6.388 -7.791 1.802) 10.235 4.565 ( -10.632 -2.123 2.372) 11.098 4.826 ( 1.132 -2.557 1.538) 3.191 5.358 ( -0.685 -8.561 -0.947) 8.641 5.474 ( 2.461 -6.288 -8.936) 11.200 5.949 ( -7.405 -1.903 2.497) 8.043 6.060 ( 0.882 -1.390 1.610) 2.303 6.487 ( -7.121 -8.237 3.896) 11.565 6.982 ( -4.291 0.435 -3.910) 5.822 7.133 ( -2.596 2.804 3.865) 5.435 7.816 ( 6.106 -0.079 -4.208) 7.416 8.059 ( -12.935 3.395 12.004) 17.970 8.777 ( -13.689 5.418 2.886) 15.002 9.269 ( -2.685 -7.132 1.844) 7.840 9.391 ( 1.315 3.897 5.159) 6.598 9.784 ( -5.423 3.760 -0.256) 6.604 10.763 ( 0.239 5.044 -3.808) 6.325 11.194 ( 7.637 0.301 4.298) 8.768 12.042 ( 6.001 2.480 -9.607) 11.596 12.602 ( -11.713 7.227 15.833) 20.978 12.766 ( 4.086 0.263 -8.416) 9.359 13.211 ( 2.913 -5.285 2.533) 6.545 13.398 ( 6.500 2.487 7.376) 10.141 14.755 ( 15.487 -12.351 -5.256) 20.495 17.115 ( -7.744 0.693 -11.539) 13.914 18.925 ( 5.784 -3.738 7.114) 9.901 19.140 ( -3.742 0.000 3.666) 5.239 19.533 ( 12.748 -7.167 -1.444) 14.696 20.752 ( 4.378 11.908 -16.373) 20.714 22.944 ( -11.958 -16.145 2.377) 20.231 23.493 ( 10.836 6.577 -3.821) 13.239 24.231 ( 4.895 -2.313 15.710) 16.617 ======================= Grid point 382 (176/432) ======================= q-point: (-0.36 0.00 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( -26.995 12.127 17.421) 34.341 2.282 ( -32.680 10.579 -8.947) 35.496 3.616 ( -23.491 24.248 20.608) 39.553 4.165 ( -3.249 -10.213 -3.257) 11.201 4.408 ( -3.425 -11.290 8.218) 14.379 4.508 ( -6.137 -8.467 0.886) 10.494 4.918 ( -0.869 -4.486 3.860) 5.981 5.322 ( -3.522 0.594 3.552) 5.037 5.618 ( 14.910 -10.156 -6.248) 19.092 5.921 ( -3.625 -7.333 1.137) 8.259 6.162 ( 5.509 0.560 5.162) 7.570 6.484 ( -8.517 -10.420 -2.308) 13.654 6.840 ( -3.432 3.308 -7.829) 9.166 7.111 ( -7.822 -0.501 5.892) 9.806 7.870 ( 6.039 -1.506 -1.609) 6.429 7.937 ( -16.539 2.273 7.237) 18.196 8.604 ( -6.989 7.428 -0.043) 10.199 9.315 ( 2.460 -4.985 -3.343) 6.487 9.460 ( -1.638 -1.478 8.859) 9.129 9.716 ( 2.037 11.961 2.142) 12.320 10.691 ( -6.757 -8.055 -4.128) 11.295 11.274 ( 5.128 7.459 1.467) 9.169 11.971 ( 3.891 2.185 -9.561) 10.552 12.503 ( -14.489 4.124 7.488) 16.823 12.752 ( -0.163 -1.664 -0.073) 1.674 13.309 ( 2.658 -6.250 -0.488) 6.809 13.536 ( 9.928 10.635 1.742) 14.652 14.979 ( 14.742 -12.691 -8.454) 21.210 16.998 ( -1.227 -0.354 5.553) 5.698 18.902 ( -3.952 3.571 -5.623) 7.746 19.299 ( 8.816 -0.072 9.538) 12.988 19.741 ( 13.127 -5.929 -1.556) 14.488 20.542 ( 3.110 8.456 -13.778) 16.463 22.944 ( -13.893 -19.080 2.247) 23.709 23.520 ( 9.262 6.814 -3.639) 12.061 24.486 ( 2.567 -4.512 13.063) 14.056 ======================= Grid point 383 (177/432) ======================= q-point: (-0.27 0.00 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -32.317 11.896 -0.074) 34.437 1.853 ( -23.963 15.313 18.977) 34.188 3.409 ( -32.996 17.727 39.311) 54.298 4.150 ( -2.434 -7.302 -4.014) 8.681 4.418 ( -7.230 -7.522 -2.938) 10.839 4.651 ( 3.377 -8.665 4.196) 10.202 4.944 ( -8.071 -8.391 6.614) 13.390 5.396 ( 2.091 4.952 11.948) 13.102 5.796 ( 7.917 -12.105 -10.079) 17.629 6.032 ( 6.513 -10.395 3.011) 12.631 6.284 ( 3.769 1.539 7.405) 8.450 6.332 ( -9.164 -3.170 -12.994) 16.213 6.743 ( 4.715 3.576 -2.709) 6.508 7.083 ( -12.819 -8.528 6.874) 16.861 7.802 ( -14.549 0.906 8.360) 16.804 7.958 ( 1.583 -3.918 2.352) 4.836 8.467 ( 0.736 11.197 -3.483) 11.749 9.357 ( 3.236 -6.291 -2.611) 7.541 9.502 ( -0.351 6.825 0.095) 6.835 9.707 ( 4.336 8.578 7.057) 11.924 10.595 ( -17.144 -15.595 -5.220) 23.756 11.252 ( 5.246 13.785 -0.996) 14.783 11.917 ( 3.540 -2.225 -7.286) 8.401 12.364 ( -13.352 0.071 3.596) 13.828 12.768 ( -2.351 -0.720 2.611) 3.586 13.329 ( 0.366 -0.933 -10.248) 10.297 13.476 ( 4.929 15.742 -3.590) 16.882 15.140 ( 11.957 -11.133 -11.847) 20.181 17.295 ( 13.340 -9.392 26.139) 30.813 18.739 ( 2.378 11.216 -8.412) 14.220 19.480 ( 3.545 -3.448 4.720) 6.836 19.925 ( 12.189 0.574 0.346) 12.207 20.380 ( 3.230 3.999 -12.457) 13.476 22.970 ( -14.985 -23.472 4.358) 28.186 23.547 ( 9.312 5.673 -3.477) 11.445 24.602 ( -5.123 -3.183 0.781) 6.081 ======================= Grid point 384 (178/432) ======================= q-point: (-0.18 0.00 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -11.421 11.429 23.139) 28.222 1.681 ( -18.762 14.752 22.849) 33.041 3.332 ( -37.782 7.500 43.917) 58.416 4.182 ( 3.645 -2.761 3.332) 5.658 4.339 ( -8.068 -5.377 -3.471) 10.298 4.693 ( 7.061 -0.928 -10.287) 12.511 5.107 ( -5.429 -13.196 16.079) 21.498 5.519 ( -2.593 3.319 13.513) 14.154 5.747 ( -5.015 -9.855 -11.612) 16.035 6.020 ( -8.889 3.666 -11.397) 14.911 6.208 ( 4.130 2.828 0.156) 5.008 6.569 ( 19.241 -8.999 9.870) 23.422 6.807 ( 8.772 1.929 -0.114) 8.982 7.101 ( -11.999 -17.177 6.139) 21.833 7.730 ( -15.559 -0.247 12.994) 20.273 7.940 ( -6.163 1.628 -6.976) 9.450 8.411 ( 5.864 9.064 5.094) 11.937 9.367 ( -0.864 11.085 -6.500) 12.879 9.467 ( 4.233 -10.251 1.682) 11.218 9.816 ( 7.355 7.744 8.240) 13.490 10.353 ( -28.020 -12.927 -5.677) 31.376 11.166 ( 5.145 16.246 -3.578) 17.413 11.928 ( 4.474 -4.445 -7.132) 9.520 12.261 ( -10.898 -4.585 4.226) 12.556 12.709 ( -4.257 7.959 -2.509) 9.369 13.122 ( -0.058 10.026 -7.068) 12.267 13.438 ( 2.016 2.809 -1.481) 3.761 15.184 ( 7.626 -7.721 -16.875) 20.063 17.964 ( 17.957 -21.766 18.572) 33.780 18.662 ( 19.407 17.874 -0.567) 26.390 19.550 ( -4.589 -10.284 -1.381) 11.346 19.993 ( 0.408 11.697 1.503) 11.801 20.327 ( 14.950 -1.320 -11.237) 18.749 23.042 ( -15.889 -27.019 5.781) 31.873 23.588 ( 9.533 4.012 -3.695) 10.983 24.346 ( -21.961 6.403 -14.097) 26.870 ======================= Grid point 385 (179/432) ======================= q-point: (-0.09 0.00 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -10.670 7.493 29.030) 31.823 1.694 ( 7.574 4.640 32.607) 33.795 3.331 ( -26.551 3.145 40.500) 48.529 4.208 ( -8.241 -2.038 -5.127) 9.917 4.378 ( 8.408 -1.057 11.670) 14.422 4.709 ( 12.504 -1.599 -10.886) 16.655 5.298 ( -5.349 -9.340 11.740) 15.927 5.437 ( -8.809 3.293 -3.607) 10.073 5.687 ( -6.253 -2.489 -11.812) 13.595 5.826 ( -6.903 2.633 11.275) 13.480 6.202 ( -2.599 3.300 3.255) 5.313 6.894 ( 6.646 -1.966 -1.849) 7.173 7.016 ( 20.023 -7.105 6.100) 22.105 7.177 ( -7.321 -14.342 3.671) 16.516 7.598 ( -14.918 2.019 -11.704) 19.068 7.756 ( -14.866 7.047 23.516) 28.699 8.562 ( 4.229 0.737 13.526) 14.191 9.178 ( -2.271 7.941 -7.802) 11.361 9.642 ( 1.277 -12.976 2.206) 13.224 9.883 ( -0.919 16.164 3.009) 16.467 10.113 ( -7.971 -11.347 3.647) 14.338 11.045 ( 2.885 12.071 -5.800) 13.700 11.884 ( 1.683 -0.448 -10.947) 11.085 12.285 ( -4.996 -11.810 4.249) 13.509 12.522 ( -3.536 14.790 0.170) 15.208 13.080 ( 4.060 2.182 0.987) 4.714 13.414 ( 0.343 0.925 -2.847) 3.013 15.083 ( 2.807 -3.744 -20.659) 21.183 18.236 ( 4.463 -6.711 -7.518) 11.021 19.083 ( 36.626 3.214 10.988) 38.373 19.505 ( -11.280 -16.539 -7.586) 21.409 19.781 ( -9.205 15.805 -5.464) 19.089 20.525 ( 23.653 -0.245 -1.605) 23.708 23.112 ( -19.691 -30.016 2.611) 35.993 23.613 ( -4.689 12.433 -6.427) 14.760 23.700 ( -19.228 12.264 -9.394) 24.665 ======================= Grid point 387 (180/432) ======================= q-point: ( 0.09 0.09 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 4.272 0.000 30.281) 30.581 2.889 ( 11.350 0.000 19.270) 22.364 3.944 ( 6.004 0.000 -6.629) 8.944 4.345 ( -1.289 -0.000 12.992) 13.056 4.486 ( -4.620 -0.000 -8.452) 9.632 4.654 ( 2.209 0.000 -15.097) 15.258 4.747 ( -9.662 -0.000 -10.801) 14.492 4.912 ( 1.569 0.000 -7.788) 7.944 5.877 ( -10.051 -0.000 15.713) 18.652 6.116 ( 6.990 0.000 15.395) 16.907 6.473 ( -2.727 -0.000 12.658) 12.948 6.600 ( -4.864 -0.000 -10.917) 11.952 6.946 ( -6.140 -0.000 0.293) 6.147 7.165 ( -6.754 -0.000 5.584) 8.763 7.422 ( -9.881 -0.000 20.341) 22.614 8.412 ( -7.805 -0.000 29.561) 30.574 8.770 ( -16.031 -0.000 -1.523) 16.103 9.405 ( -3.635 -0.000 -0.865) 3.737 9.476 ( 17.248 0.000 15.239) 23.015 9.699 ( 1.681 0.000 -2.881) 3.335 10.583 ( -8.047 -0.000 -9.686) 12.592 11.149 ( 21.211 0.000 11.374) 24.068 11.622 ( 4.518 0.000 -15.307) 15.960 12.010 ( 5.373 0.000 -8.200) 9.803 12.779 ( -1.419 -0.000 9.671) 9.774 13.243 ( -4.023 -0.000 -0.924) 4.127 13.446 ( 10.931 0.000 -2.085) 11.128 14.327 ( -5.719 -0.000 -13.680) 14.827 18.336 ( 11.645 0.000 -8.467) 14.398 18.436 ( -14.700 -0.000 -19.920) 24.756 19.040 ( -13.774 -0.000 4.792) 14.584 19.670 ( -10.658 -0.000 -0.583) 10.674 21.716 ( 20.129 0.000 13.986) 24.511 22.035 ( -6.891 -0.000 -14.189) 15.774 23.202 ( -1.254 -0.000 1.104) 1.671 23.827 ( 6.483 0.000 -1.962) 6.773 ======================= Grid point 388 (181/432) ======================= q-point: ( 0.18 0.09 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.985 ( 4.842 4.610 21.467) 22.484 3.276 ( 10.760 -7.401 17.449) 21.795 3.925 ( 3.130 7.247 -4.267) 8.974 4.117 ( -9.359 -3.770 -12.536) 16.093 4.386 ( -8.523 5.400 -11.166) 15.049 4.554 ( 0.707 11.781 -5.814) 13.156 4.731 ( 6.695 -9.286 8.233) 14.101 4.841 ( -0.526 -13.317 -12.396) 18.201 5.891 ( -14.918 -0.626 10.443) 18.220 6.289 ( -3.037 -0.463 5.954) 6.700 6.406 ( -6.404 4.122 -3.702) 8.468 6.519 ( -1.663 -4.404 -2.557) 5.357 6.921 ( 0.873 0.160 2.258) 2.427 7.158 ( -2.268 0.632 4.736) 5.289 7.606 ( -10.067 2.452 34.237) 35.770 8.355 ( -12.983 19.619 1.792) 23.594 8.725 ( -13.658 -18.458 13.969) 26.877 9.372 ( -3.366 1.575 3.821) 5.330 9.630 ( -1.034 6.307 -3.088) 7.098 9.950 ( 19.300 -5.026 15.508) 25.264 10.373 ( -9.138 -3.588 -8.137) 12.751 11.440 ( 9.232 12.208 -6.747) 16.727 11.615 ( 17.217 -8.192 4.594) 19.612 12.029 ( 10.675 1.979 -6.154) 12.480 12.861 ( -3.329 -6.159 5.234) 8.741 13.176 ( -5.858 2.598 2.042) 6.726 13.522 ( 6.745 -2.216 -8.026) 10.715 14.151 ( -1.555 0.744 -6.182) 6.418 18.031 ( -11.367 1.837 -18.443) 21.742 18.384 ( 7.285 -0.857 -5.242) 9.016 18.994 ( -4.671 -2.612 5.060) 7.365 19.489 ( -15.943 -0.888 0.255) 15.969 21.744 ( 1.503 13.639 -13.525) 19.267 22.165 ( 11.869 -11.639 11.051) 19.961 23.228 ( 3.388 -1.381 0.205) 3.664 23.888 ( 5.597 0.599 -0.601) 5.661 ======================= Grid point 389 (182/432) ======================= q-point: (-0.73 0.09 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.079 ( -5.387 11.448 5.359) 13.740 3.595 ( -3.309 -11.583 4.950) 13.023 3.859 ( 3.394 3.277 0.999) 4.823 3.992 ( 1.088 2.977 0.693) 3.244 4.157 ( -5.902 5.069 -4.122) 8.804 4.400 ( 1.680 5.570 -6.608) 8.804 4.843 ( 2.799 -16.212 -11.284) 19.949 4.987 ( 5.122 -10.026 6.757) 13.131 5.712 ( -21.593 -1.820 -0.706) 21.681 6.178 ( -4.782 4.215 -5.109) 8.169 6.280 ( -15.227 0.926 3.957) 15.760 6.490 ( -3.067 -4.361 -3.895) 6.603 6.992 ( 4.207 1.138 3.753) 5.751 7.193 ( 0.383 1.735 3.631) 4.043 7.843 ( -10.839 4.373 32.479) 34.519 8.066 ( -7.730 8.406 -3.403) 11.916 8.838 ( -13.081 -11.718 12.687) 21.665 9.364 ( -4.056 4.145 6.574) 8.766 9.500 ( -4.097 4.381 -3.763) 7.081 10.099 ( -10.194 -0.698 -6.792) 12.269 10.491 ( 16.535 -8.522 12.189) 22.239 11.335 ( 10.649 18.811 -7.354) 22.832 11.981 ( 15.603 -1.009 3.310) 15.982 12.132 ( 14.411 -2.477 2.363) 14.812 12.916 ( -3.026 -8.315 1.824) 9.034 13.091 ( -7.903 5.657 4.552) 10.732 13.455 ( -2.161 -2.764 -11.059) 11.603 14.163 ( 8.155 -3.817 -2.403) 9.319 17.693 ( -9.330 -0.556 -17.194) 19.570 18.448 ( 4.993 -1.166 2.749) 5.817 19.055 ( 3.681 -2.807 1.870) 4.992 19.318 ( -12.580 -2.563 1.091) 12.884 21.484 ( 2.731 12.534 -17.380) 21.601 22.490 ( 2.858 -11.074 11.257) 16.048 23.323 ( 9.200 -0.276 0.987) 9.257 23.948 ( 4.362 1.422 1.560) 4.846 ======================= Grid point 390 (183/432) ======================= q-point: (-0.64 0.09 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( -14.682 13.221 0.979) 19.782 3.412 ( -18.615 -2.569 -11.671) 22.121 3.907 ( -2.520 0.655 1.412) 2.962 4.060 ( 2.196 10.411 6.200) 12.315 4.130 ( 2.002 -6.564 5.283) 8.661 4.417 ( 8.465 -2.720 0.690) 8.918 4.889 ( -0.333 -13.287 -8.117) 15.574 5.172 ( 3.157 -8.765 2.315) 9.600 5.402 ( -22.041 -2.266 -3.323) 22.405 6.056 ( -2.529 5.546 -0.910) 6.163 6.091 ( -15.550 -2.553 -0.063) 15.758 6.421 ( -7.145 -5.383 -3.167) 9.490 7.055 ( 1.956 2.931 1.473) 3.819 7.201 ( -1.915 2.392 3.187) 4.421 7.853 ( -0.005 3.483 -4.280) 5.518 8.075 ( -13.432 2.094 26.644) 29.911 8.856 ( -13.085 -7.365 5.896) 16.131 9.313 ( -8.251 5.726 5.735) 11.565 9.429 ( 0.677 1.255 0.137) 1.432 9.867 ( -13.234 -4.763 -7.770) 16.069 10.884 ( 15.046 -3.010 9.625) 18.113 11.230 ( 9.698 23.830 -3.239) 25.931 12.079 ( 9.975 1.735 -7.008) 12.313 12.476 ( 14.129 -3.318 10.420) 17.867 12.976 ( -8.285 7.387 2.797) 11.447 12.993 ( 1.104 -6.978 4.071) 8.154 13.322 ( -4.713 -4.175 -6.119) 8.780 14.326 ( 13.252 -9.551 -4.642) 16.982 17.392 ( -8.981 -0.456 -15.602) 18.008 18.617 ( 6.837 -2.779 10.290) 12.663 19.135 ( 0.540 -1.980 0.658) 2.155 19.273 ( 2.966 -4.231 -0.242) 5.173 21.212 ( 2.600 11.748 -18.498) 22.067 22.663 ( -6.796 -12.422 6.466) 15.566 23.481 ( 12.359 2.860 2.516) 12.933 24.028 ( 3.603 0.528 5.776) 6.828 ======================= Grid point 391 (184/432) ======================= q-point: (-0.55 0.09 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( -18.840 13.431 6.913) 24.148 2.986 ( -23.570 4.274 -12.866) 27.191 3.918 ( -2.019 -7.212 3.459) 8.250 4.057 ( 1.167 8.197 4.008) 9.199 4.229 ( -6.081 -5.305 6.425) 10.315 4.541 ( -3.732 -1.958 -0.478) 4.241 4.795 ( -8.827 -0.985 -0.516) 8.897 5.232 ( -7.132 -7.681 2.162) 10.702 5.294 ( 5.791 -11.296 -4.855) 13.590 5.901 ( -13.123 -2.701 -1.147) 13.447 6.063 ( 3.821 1.262 2.672) 4.831 6.345 ( -9.202 -8.746 -1.181) 12.750 7.012 ( -2.834 2.662 -3.007) 4.915 7.191 ( -3.254 3.388 4.371) 6.417 7.815 ( 4.023 -0.120 -4.657) 6.156 8.108 ( -18.532 2.700 17.066) 25.338 8.776 ( -11.866 -3.837 2.140) 12.653 9.234 ( -6.602 3.159 4.861) 8.786 9.452 ( 2.194 1.614 1.078) 2.930 9.719 ( -9.404 -9.482 -1.178) 13.407 11.000 ( 4.884 19.235 -4.404) 20.328 11.242 ( 11.738 7.046 7.556) 15.637 12.085 ( 7.317 2.621 -8.324) 11.389 12.684 ( 1.015 0.493 7.001) 7.092 12.810 ( -8.258 5.716 -2.843) 10.438 13.112 ( -0.222 -6.094 2.285) 6.513 13.381 ( 9.315 -3.988 7.505) 12.609 14.534 ( 14.922 -13.467 -8.277) 21.738 17.128 ( -7.617 0.735 -10.301) 12.832 18.866 ( 5.862 -3.101 10.724) 12.609 19.151 ( 3.155 1.274 1.874) 3.885 19.425 ( 13.372 -5.810 -1.824) 14.694 20.938 ( 1.402 10.147 -17.920) 20.641 22.688 ( -12.732 -14.033 1.926) 19.046 23.609 ( 10.085 7.009 0.720) 12.303 24.185 ( 3.548 -3.132 11.624) 12.550 ======================= Grid point 392 (185/432) ======================= q-point: (-0.45 0.09 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( -20.943 14.306 14.307) 29.120 2.458 ( -27.205 10.299 -10.014) 30.765 4.000 ( -7.081 -7.672 2.010) 10.632 4.043 ( -4.115 20.738 12.087) 24.354 4.210 ( -11.100 -9.784 8.222) 16.927 4.367 ( -12.952 -7.781 -0.848) 15.134 4.807 ( -2.453 -8.199 0.852) 8.600 5.293 ( 0.308 -5.019 5.235) 7.259 5.443 ( 11.603 -10.106 -5.165) 16.231 5.775 ( -10.390 -7.959 -0.565) 13.100 6.178 ( 7.105 0.168 4.457) 8.389 6.302 ( -8.948 -10.018 -0.114) 13.433 6.893 ( -3.813 2.801 -5.346) 7.139 7.138 ( -9.243 2.586 4.526) 10.612 7.844 ( 5.382 -1.771 -2.739) 6.293 7.955 ( -20.646 0.832 6.191) 21.571 8.689 ( -7.359 2.285 3.559) 8.487 9.210 ( -3.461 -3.483 1.414) 5.110 9.484 ( 1.480 2.148 4.527) 5.225 9.741 ( -4.147 -11.215 2.631) 12.243 10.784 ( -1.219 20.735 -5.688) 21.535 11.401 ( 9.155 7.488 5.314) 12.966 12.034 ( 4.888 4.566 -9.157) 11.339 12.604 ( -14.024 6.731 3.843) 16.023 12.732 ( 0.024 -0.628 0.684) 0.929 13.180 ( 0.465 -9.071 -1.030) 9.141 13.641 ( 12.869 2.536 5.446) 14.203 14.738 ( 14.712 -15.615 -11.058) 24.136 16.993 ( -3.141 -0.281 1.767) 3.615 18.964 ( 2.795 3.761 -1.232) 4.845 19.295 ( 8.366 -0.454 6.607) 10.670 19.656 ( 18.193 -4.221 -0.763) 18.692 20.678 ( -0.665 7.532 -15.414) 17.168 22.638 ( -16.218 -16.899 0.657) 23.431 23.651 ( 7.832 8.707 -1.091) 11.762 24.400 ( 0.949 -5.784 12.253) 13.583 ======================= Grid point 393 (186/432) ======================= q-point: (-0.36 0.09 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -24.971 16.465 0.906) 29.924 2.117 ( -20.134 16.072 18.696) 31.831 3.744 ( -30.658 17.896 21.907) 41.714 4.068 ( 5.765 0.889 -0.599) 5.863 4.259 ( -11.594 -11.296 1.515) 16.258 4.438 ( -1.466 -15.533 11.605) 19.445 4.823 ( -4.587 -7.574 -1.907) 9.057 5.427 ( 1.278 -2.307 8.314) 8.722 5.599 ( 7.960 -11.028 -7.514) 15.538 5.803 ( -1.176 -14.496 5.123) 15.419 6.244 ( -6.563 -7.069 -4.064) 10.467 6.321 ( 5.085 2.712 6.059) 8.362 6.783 ( -0.690 1.315 -3.221) 3.547 7.018 ( -14.779 -0.730 3.932) 15.310 7.767 ( -16.353 -3.537 2.866) 16.975 7.913 ( 3.577 -2.398 0.466) 4.332 8.628 ( -2.606 8.054 4.229) 9.463 9.218 ( -1.428 -8.125 -2.434) 8.601 9.562 ( 1.746 2.030 6.703) 7.218 9.799 ( -3.248 -7.730 0.461) 8.397 10.524 ( -7.008 14.881 -3.418) 16.800 11.477 ( 8.171 12.233 3.089) 15.032 11.939 ( 3.150 4.590 -8.841) 10.447 12.423 ( -12.444 5.417 3.558) 14.031 12.753 ( -1.483 -0.680 3.709) 4.052 13.229 ( 0.561 -8.575 -5.682) 10.302 13.720 ( 7.529 11.028 -5.350) 14.385 14.912 ( 12.161 -15.835 -12.797) 23.715 17.147 ( 5.693 -7.874 17.598) 20.102 18.923 ( 9.088 10.119 -7.307) 15.440 19.421 ( 1.388 -3.223 0.513) 3.547 19.943 ( 21.829 1.432 2.488) 22.017 20.449 ( -2.870 4.063 -12.044) 13.031 22.587 ( -18.319 -21.193 2.585) 28.133 23.660 ( 7.277 7.884 -1.917) 10.899 24.531 ( -5.619 -5.292 5.359) 9.397 ======================= Grid point 394 (187/432) ======================= q-point: (-0.27 0.09 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -8.729 18.730 19.903) 28.690 1.960 ( -17.211 17.590 21.321) 32.561 3.503 ( -30.590 11.402 27.739) 42.839 4.164 ( 7.399 1.985 5.596) 9.487 4.212 ( -9.883 -9.298 0.131) 13.570 4.635 ( 2.955 -7.088 -2.689) 8.136 4.865 ( -5.922 -14.273 12.118) 19.638 5.534 ( -4.040 -5.170 10.060) 12.011 5.597 ( -1.045 -5.223 -10.881) 12.115 5.994 ( -4.069 -8.196 -2.733) 9.550 6.234 ( 7.939 -2.360 5.595) 9.995 6.415 ( 1.464 -4.196 4.674) 6.449 6.816 ( 6.323 -2.562 -0.453) 6.838 6.898 ( -14.278 -5.842 6.776) 16.849 7.659 ( -14.160 -5.950 4.860) 16.110 7.956 ( -0.684 -0.954 -0.946) 1.507 8.581 ( -0.052 10.499 5.028) 11.641 9.281 ( 1.194 -11.368 0.281) 11.434 9.574 ( 1.088 10.865 -1.474) 11.018 9.807 ( -6.851 -11.899 0.304) 13.734 10.304 ( -7.305 13.029 2.277) 15.110 11.471 ( 7.455 18.774 -0.206) 20.201 11.871 ( 3.487 -0.872 -6.781) 7.675 12.274 ( -10.830 4.130 3.678) 12.160 12.773 ( -1.554 1.545 2.626) 3.420 13.189 ( -0.002 -3.016 -10.022) 10.466 13.591 ( 2.154 13.806 -5.597) 15.052 15.001 ( 7.791 -13.839 -16.487) 22.892 17.621 ( 11.750 -18.757 20.084) 29.887 18.916 ( 19.765 11.824 -7.558) 24.240 19.403 ( -5.604 -6.315 -5.023) 9.824 20.185 ( 3.542 10.896 4.988) 12.496 20.298 ( 13.481 -1.801 -10.693) 17.301 22.583 ( -19.686 -25.701 5.421) 32.825 23.670 ( 7.243 5.932 -2.604) 9.717 24.414 ( -16.251 1.346 -5.385) 17.173 ======================= Grid point 395 (188/432) ======================= q-point: (-0.18 0.09 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 6.387 11.683 29.016) 31.925 1.889 ( -11.776 16.089 25.496) 32.366 3.429 ( -19.090 7.930 31.716) 37.858 4.147 ( -7.898 -5.000 -2.073) 9.575 4.358 ( 9.581 -0.511 9.145) 13.255 4.656 ( 3.878 -4.523 -5.185) 7.898 5.085 ( -4.436 -15.358 10.510) 19.132 5.479 ( -1.309 1.765 -6.727) 7.077 5.612 ( -8.155 -6.493 2.125) 10.639 5.880 ( -7.297 2.963 4.665) 9.154 6.295 ( -2.400 6.996 2.754) 7.893 6.670 ( -2.227 -25.382 6.255) 26.236 6.879 ( 9.032 -1.750 0.850) 9.239 7.014 ( 1.096 -8.560 9.922) 13.149 7.567 ( -13.335 -3.836 0.338) 13.880 7.876 ( -8.828 4.056 3.946) 10.486 8.607 ( 0.975 5.059 10.191) 11.419 9.396 ( -0.294 12.874 -3.459) 13.334 9.437 ( 2.258 -8.190 0.295) 8.501 9.836 ( -10.555 -18.677 1.742) 21.524 10.182 ( 2.900 18.927 5.619) 19.956 11.350 ( 4.510 22.017 -4.040) 22.835 11.859 ( 3.998 -2.490 -9.488) 10.593 12.172 ( -8.653 -1.629 3.684) 9.545 12.723 ( -1.692 8.735 0.533) 8.914 13.123 ( 3.312 1.261 -3.249) 4.808 13.471 ( -0.223 7.080 -2.727) 7.590 14.962 ( 3.048 -10.507 -20.216) 22.986 18.045 ( 7.553 -14.874 3.644) 17.075 19.114 ( 20.876 -5.355 -5.487) 22.240 19.302 ( -2.540 -2.478 -3.848) 5.234 19.996 ( -9.193 8.810 -6.088) 14.113 20.541 ( 23.085 3.479 1.891) 23.422 22.610 ( -21.402 -27.767 5.354) 35.464 23.690 ( 7.140 3.756 -3.162) 8.665 23.984 ( -24.029 13.786 -9.401) 29.254 ======================= Grid point 396 (189/432) ======================= q-point: (-0.09 0.09 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -6.788 9.197 30.545) 32.613 2.192 ( 9.447 6.108 25.179) 27.578 3.620 ( -0.924 4.434 31.772) 32.093 4.055 ( -4.123 -0.599 -3.482) 5.430 4.588 ( 9.669 -5.686 2.235) 11.437 4.703 ( 0.883 -3.942 1.551) 4.327 5.135 ( -4.125 -6.160 -11.008) 13.271 5.375 ( -10.492 2.900 -6.820) 12.845 5.536 ( 3.989 -1.994 4.590) 6.399 5.917 ( -7.928 3.133 16.661) 18.715 6.232 ( -8.529 3.485 9.688) 13.369 6.805 ( -2.335 -12.290 -1.149) 12.563 7.051 ( -3.554 -9.265 5.614) 11.401 7.193 ( -2.409 -5.630 5.976) 8.557 7.393 ( -2.848 2.890 -4.834) 6.311 7.877 ( -11.247 -2.729 22.250) 25.080 8.726 ( 0.810 -1.349 10.310) 10.429 9.231 ( 2.193 16.935 0.339) 17.080 9.529 ( -3.470 -9.336 -0.564) 9.976 9.835 ( -8.073 -0.318 2.127) 8.355 10.268 ( 14.171 -1.809 5.220) 15.210 11.151 ( 1.964 21.635 -5.589) 22.432 11.782 ( 3.779 0.435 -12.141) 12.723 12.146 ( -5.927 -8.925 -2.420) 10.984 12.657 ( 0.223 12.182 6.939) 14.021 13.180 ( 7.437 0.740 1.179) 7.566 13.388 ( -1.490 2.940 -2.912) 4.398 14.805 ( -1.261 -6.760 -21.318) 22.399 18.197 ( 8.665 -5.077 -5.854) 11.625 19.058 ( -16.093 -17.548 -12.115) 26.715 19.497 ( 12.074 2.419 -0.562) 12.327 19.712 ( -3.632 10.595 -6.984) 13.199 20.868 ( 22.810 0.345 6.680) 23.770 22.560 ( -24.036 -20.925 -0.649) 31.875 23.483 ( -16.355 17.901 -2.972) 24.429 23.723 ( 6.911 1.642 -3.281) 7.824 ======================= Grid point 399 (190/432) ======================= q-point: ( 0.18 0.18 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.217 ( 1.021 0.000 3.644) 3.784 3.450 ( -6.737 -0.000 7.192) 9.855 3.890 ( 2.458 0.000 -4.024) 4.715 4.024 ( 2.290 0.000 5.616) 6.065 4.196 ( -7.638 -0.000 -3.387) 8.355 4.560 ( -2.950 -0.000 -13.928) 14.237 4.603 ( 5.068 0.000 -6.128) 7.952 4.882 ( 5.213 0.000 6.329) 8.200 5.704 ( -19.716 -0.000 0.337) 19.719 6.214 ( -5.815 -0.000 -3.627) 6.854 6.303 ( -14.331 -0.000 1.872) 14.453 6.434 ( -3.306 -0.000 -3.778) 5.020 7.006 ( 4.649 0.000 4.813) 6.692 7.205 ( 2.217 0.000 1.239) 2.540 7.882 ( -13.142 -0.000 36.701) 38.983 8.150 ( -13.643 -0.000 -10.236) 17.056 8.726 ( -9.783 -0.000 18.336) 20.783 9.400 ( -4.322 -0.000 6.836) 8.088 9.532 ( -6.037 -0.000 -6.368) 8.775 10.104 ( -11.239 -0.000 -11.196) 15.864 10.413 ( 20.930 0.000 17.664) 27.388 11.513 ( 14.146 0.000 -10.673) 17.720 11.970 ( 18.646 0.000 14.714) 23.752 12.110 ( 10.876 0.000 -5.809) 12.330 12.831 ( -3.400 -0.000 3.191) 4.662 13.141 ( -7.829 -0.000 4.789) 9.177 13.428 ( -0.987 -0.000 -12.405) 12.444 14.131 ( 5.849 0.000 -3.236) 6.684 17.688 ( -9.464 -0.000 -17.886) 20.235 18.437 ( 3.956 0.000 3.499) 5.281 19.032 ( 4.178 0.000 2.263) 4.751 19.297 ( -12.202 -0.000 0.455) 12.211 21.603 ( 2.303 0.000 -21.170) 21.295 22.386 ( 2.405 0.000 14.459) 14.658 23.320 ( 9.422 0.000 2.385) 9.719 23.960 ( 4.800 0.000 0.852) 4.875 ======================= Grid point 400 (191/432) ======================= q-point: (-0.73 0.18 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.068 ( -8.766 11.498 -6.412) 15.816 3.304 ( -15.056 -8.780 -9.381) 19.793 3.950 ( -7.581 3.879 1.971) 8.741 4.028 ( -2.009 -4.828 6.422) 8.282 4.242 ( 0.057 8.109 12.241) 14.684 4.414 ( 9.606 2.381 -6.503) 11.842 4.664 ( 5.423 -11.113 -6.768) 14.097 4.955 ( -5.009 -10.067 -1.564) 11.352 5.480 ( -12.950 4.881 3.286) 14.224 6.050 ( -18.549 -1.840 -1.362) 18.689 6.146 ( -3.512 4.350 -0.287) 5.598 6.326 ( -7.451 -4.763 -6.354) 10.889 7.114 ( 3.955 3.295 3.622) 6.294 7.206 ( -1.860 -1.329 -1.155) 2.561 7.909 ( -4.090 2.492 -7.478) 8.881 8.086 ( -17.501 -0.316 31.919) 36.403 8.782 ( -10.681 -1.723 11.544) 15.822 9.379 ( -8.161 2.070 2.572) 8.804 9.410 ( -5.026 -2.075 0.474) 5.458 9.829 ( -9.667 -0.415 -12.410) 15.736 10.853 ( 17.391 -0.884 14.009) 22.349 11.560 ( 15.091 12.230 -6.917) 20.620 12.143 ( 9.499 6.229 -4.884) 12.364 12.373 ( 12.200 -8.361 9.233) 17.436 12.894 ( 1.534 -3.643 8.956) 9.789 13.076 ( -7.149 3.926 3.608) 8.918 13.252 ( -5.489 -3.246 -10.765) 12.512 14.209 ( 11.488 -3.851 -6.161) 13.593 17.387 ( -8.632 -0.133 -14.609) 16.969 18.583 ( 5.005 -1.082 11.369) 12.469 19.121 ( 7.685 -0.054 -1.867) 7.909 19.220 ( -0.721 -1.920 1.036) 2.298 21.359 ( 1.455 5.020 -21.470) 22.097 22.509 ( -6.865 -5.203 8.357) 12.002 23.513 ( 11.969 1.004 6.521) 13.667 24.033 ( 3.715 0.147 2.679) 4.583 ======================= Grid point 401 (192/432) ======================= q-point: (-0.64 0.18 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( -12.069 11.657 -1.299) 16.830 3.011 ( -17.096 -1.277 -12.499) 21.216 3.842 ( -9.502 -1.567 4.068) 10.454 4.035 ( -10.372 -6.843 2.256) 12.629 4.263 ( -3.366 6.113 7.505) 10.248 4.497 ( 4.275 -2.429 -6.524) 8.169 4.755 ( 2.288 -3.243 0.674) 4.026 4.974 ( -3.852 -16.286 2.132) 16.871 5.346 ( -5.674 11.088 5.132) 13.471 5.838 ( -15.631 -6.076 -0.957) 16.798 6.082 ( -1.590 0.550 -3.491) 3.876 6.222 ( -5.997 -4.852 0.002) 7.714 7.054 ( -4.633 2.154 -4.624) 6.891 7.229 ( -0.917 1.025 3.717) 3.963 7.813 ( 1.861 -0.090 -6.103) 6.381 8.146 ( -23.557 1.562 24.115) 33.747 8.735 ( -10.074 -0.042 4.809) 11.163 9.297 ( -8.541 2.457 5.237) 10.316 9.394 ( -4.270 -7.682 0.187) 8.791 9.612 ( -5.247 -1.371 -8.170) 9.806 11.175 ( 12.798 3.295 8.232) 15.569 11.526 ( 11.120 21.658 -2.815) 24.508 12.138 ( 7.261 4.639 -6.513) 10.801 12.606 ( 4.487 -10.013 0.384) 10.979 12.915 ( -13.226 5.704 3.497) 14.822 13.035 ( -4.159 -2.513 0.264) 4.866 13.293 ( 13.937 -5.579 8.471) 17.238 14.338 ( 14.231 -9.067 -10.235) 19.736 17.138 ( -7.664 0.471 -9.602) 12.294 18.827 ( 6.951 -1.603 13.612) 15.368 19.180 ( 8.154 2.012 -2.029) 8.640 19.341 ( 12.653 -4.221 0.017) 13.338 21.078 ( -0.541 6.204 -20.342) 21.274 22.497 ( -12.610 -8.358 2.518) 15.336 23.713 ( 9.220 5.085 6.743) 12.503 24.133 ( 2.906 -2.817 6.379) 7.554 ======================= Grid point 402 (193/432) ======================= q-point: (-0.55 0.18 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( -13.921 13.141 8.071) 20.775 2.618 ( -18.559 8.631 -8.982) 22.352 3.846 ( -5.293 -8.789 4.169) 11.075 4.003 ( -11.317 -9.820 6.502) 16.334 4.206 ( -12.933 -5.506 1.696) 14.158 4.401 ( -5.927 3.448 -3.460) 7.680 4.743 ( -4.431 6.466 4.031) 8.814 5.158 ( 3.393 -9.389 6.779) 12.067 5.330 ( 4.562 -2.523 0.907) 5.291 5.682 ( -13.617 -4.112 -0.902) 14.253 6.056 ( -3.650 -11.950 -1.956) 12.647 6.259 ( 2.221 1.991 6.611) 7.253 6.917 ( -4.769 -0.228 -6.682) 8.213 7.184 ( -9.944 3.050 3.193) 10.880 7.802 ( 3.880 -3.160 -5.680) 7.570 7.990 ( -25.567 3.413 11.209) 28.124 8.697 ( -5.448 -0.095 6.621) 8.575 9.216 ( -8.169 2.919 3.726) 9.442 9.434 ( -4.858 -14.815 -0.245) 15.593 9.550 ( 0.062 -1.526 0.757) 1.705 11.214 ( 6.111 24.680 -3.323) 25.642 11.535 ( 9.301 10.379 6.412) 15.341 12.104 ( 5.061 3.884 -7.460) 9.816 12.683 ( 2.858 -1.787 -8.575) 9.214 12.731 ( -13.699 3.130 8.757) 16.557 13.022 ( -4.183 -9.005 0.075) 9.929 13.645 ( 14.991 -1.327 9.144) 17.609 14.487 ( 14.858 -13.527 -13.350) 24.124 16.989 ( -4.371 -0.172 -1.071) 4.504 19.021 ( 8.221 2.824 1.538) 8.827 19.285 ( 7.898 -0.632 2.730) 8.381 19.602 ( 21.471 -2.319 2.258) 21.714 20.786 ( -3.052 5.303 -17.959) 18.973 22.401 ( -16.202 -11.194 0.058) 19.693 23.801 ( 5.620 9.057 3.044) 11.085 24.296 ( 0.628 -6.651 9.539) 11.646 ======================= Grid point 403 (194/432) ======================= q-point: (-0.45 0.18 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( -16.677 17.878 2.267) 24.554 2.386 ( -13.899 16.078 14.767) 25.879 3.832 ( -12.808 -2.719 1.133) 13.142 4.032 ( -13.484 -13.148 2.097) 18.949 4.167 ( -6.569 -15.816 9.484) 19.577 4.298 ( -4.296 13.448 12.029) 18.547 4.704 ( -0.877 -1.834 -1.263) 2.393 5.320 ( -1.385 -8.236 4.878) 9.672 5.410 ( 1.015 -11.950 -6.591) 13.685 5.649 ( -2.081 -4.258 10.702) 11.705 6.107 ( -3.318 -9.095 1.711) 9.831 6.363 ( 4.839 2.017 5.360) 7.497 6.793 ( -3.733 -0.360 -5.362) 6.543 7.013 ( -17.664 -0.263 2.370) 17.824 7.718 ( -13.798 -2.011 -2.262) 14.126 7.876 ( -0.395 -1.665 2.149) 2.748 8.725 ( -2.625 3.339 8.752) 9.728 9.134 ( -6.620 -1.434 0.345) 6.782 9.485 ( -8.126 -17.040 -0.046) 18.878 9.632 ( 3.387 -0.968 5.992) 6.951 10.971 ( 2.350 32.415 -3.846) 32.727 11.644 ( 7.368 8.145 5.632) 12.342 12.033 ( 3.594 5.359 -8.038) 10.308 12.526 ( -9.266 7.075 1.101) 11.710 12.740 ( -1.654 -1.733 3.683) 4.394 13.061 ( -1.005 -11.271 -3.600) 11.875 13.842 ( 8.653 4.250 -0.505) 9.654 14.636 ( 12.976 -16.399 -14.534) 25.466 17.041 ( 1.766 -4.892 10.641) 11.844 19.052 ( 12.230 4.912 -11.631) 17.578 19.391 ( 1.293 0.002 2.859) 3.138 19.968 ( 27.322 1.427 4.182) 27.677 20.510 ( -5.991 3.109 -13.617) 15.198 22.290 ( -17.863 -14.272 1.473) 22.912 23.804 ( 4.236 9.294 0.595) 10.231 24.428 ( -5.008 -6.992 6.607) 10.845 ======================= Grid point 404 (195/432) ======================= q-point: (-0.36 0.18 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( -6.270 21.704 16.648) 28.063 2.258 ( -12.960 18.413 18.505) 29.145 3.642 ( -19.082 4.366 8.824) 21.472 4.018 ( -7.533 -12.762 0.927) 14.849 4.280 ( 2.478 5.378 6.471) 8.771 4.454 ( -2.878 -11.032 19.576) 22.654 4.687 ( -2.699 -5.105 -2.217) 6.186 5.363 ( -9.452 -12.742 6.203) 17.035 5.499 ( 5.202 -11.012 -7.871) 14.501 5.830 ( -0.074 -5.804 11.783) 13.135 6.155 ( -3.060 -5.550 4.682) 7.880 6.435 ( 0.614 2.544 2.048) 3.323 6.724 ( -5.988 -5.726 2.634) 8.694 6.865 ( -6.155 -1.439 0.277) 6.327 7.573 ( -11.528 -3.593 1.917) 12.226 7.913 ( 0.987 -3.680 -2.310) 4.456 8.745 ( -2.987 8.764 8.755) 12.743 9.111 ( -2.609 -8.346 0.877) 8.788 9.503 ( -10.997 -17.158 0.612) 20.389 9.734 ( 3.794 4.636 3.800) 7.095 10.700 ( 1.572 30.697 -0.137) 30.737 11.717 ( 6.418 8.940 3.985) 11.705 11.926 ( 3.172 7.428 -8.677) 11.854 12.367 ( -9.677 7.254 2.580) 12.366 12.786 ( 0.525 -0.203 3.616) 3.660 13.081 ( 0.003 -8.729 -6.065) 10.629 13.799 ( 2.085 9.994 -6.776) 12.254 14.741 ( 8.614 -16.732 -16.684) 25.150 17.354 ( 7.838 -13.214 17.889) 23.581 19.014 ( 12.499 -0.286 -19.275) 22.974 19.385 ( -0.198 4.555 0.091) 4.560 20.256 ( -1.706 -1.836 -13.204) 13.439 20.360 ( 20.833 8.713 8.265) 24.047 22.224 ( -17.746 -17.151 4.821) 25.146 23.783 ( 3.996 7.545 -0.998) 8.596 24.396 ( -12.751 -3.120 -0.509) 13.137 ======================= Grid point 405 (196/432) ======================= q-point: (-0.27 0.18 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 0.538 15.474 23.104) 27.812 2.187 ( -6.911 19.559 21.820) 30.107 3.553 ( -9.760 5.650 17.496) 20.815 4.043 ( -4.944 -7.485 1.798) 9.149 4.362 ( 6.737 -1.374 -0.227) 6.880 4.610 ( -4.370 2.593 10.908) 12.034 4.802 ( -2.031 -18.331 9.245) 20.630 5.446 ( -6.264 -9.856 6.889) 13.559 5.510 ( 2.210 -2.604 -6.581) 7.415 5.910 ( -5.020 0.640 5.089) 7.177 6.243 ( -16.322 -19.088 9.488) 26.848 6.440 ( 5.149 5.099 6.318) 9.615 6.819 ( 1.102 -11.136 1.946) 11.358 6.884 ( 3.679 -1.463 4.534) 6.019 7.502 ( -9.646 -3.431 3.046) 10.681 7.880 ( -4.691 -2.699 -3.811) 6.620 8.721 ( -3.935 8.145 9.505) 13.122 9.224 ( 0.943 -12.039 3.596) 12.600 9.531 ( -7.324 -15.646 2.941) 17.524 9.701 ( 2.243 15.271 -1.250) 15.485 10.526 ( 2.212 23.370 4.366) 23.877 11.712 ( 3.907 18.835 0.034) 19.236 11.826 ( 4.578 0.026 -9.490) 10.536 12.202 ( -10.202 4.667 -0.300) 11.222 12.819 ( 0.974 2.941 2.009) 3.693 13.097 ( 3.113 -3.565 -1.991) 5.135 13.633 ( -1.873 10.673 -5.295) 12.061 14.745 ( 3.811 -15.036 -19.880) 25.215 17.782 ( 8.832 -15.763 12.711) 22.092 18.931 ( -0.050 -12.124 -19.539) 22.995 19.386 ( 12.428 7.876 -1.386) 14.779 20.056 ( -9.181 -0.869 -8.527) 12.560 20.665 ( 22.771 10.704 5.987) 25.864 22.223 ( -15.952 -18.657 6.442) 25.378 23.765 ( 4.179 5.130 -2.155) 6.959 24.136 ( -19.081 5.040 -6.274) 20.708 ======================= Grid point 406 (197/432) ======================= q-point: (-0.18 0.18 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( -6.462 12.212 24.573) 28.191 2.348 ( 9.187 12.395 22.586) 27.353 3.681 ( 1.517 1.618 16.144) 16.295 4.059 ( -2.136 1.147 6.266) 6.719 4.444 ( 5.633 -10.469 -9.324) 15.108 4.685 ( -4.637 1.878 15.593) 16.376 4.965 ( -1.957 -12.625 -2.458) 13.011 5.423 ( -6.016 0.587 -7.320) 9.493 5.519 ( 6.065 0.309 2.995) 6.771 5.947 ( -8.298 0.577 19.821) 21.496 6.248 ( -13.042 -5.731 9.741) 17.257 6.605 ( 2.283 -6.415 8.022) 10.522 6.913 ( -1.630 -8.843 1.351) 9.093 7.058 ( 2.926 -8.625 5.748) 10.770 7.416 ( -6.481 0.149 -2.295) 6.877 7.811 ( -9.852 -4.871 6.712) 12.877 8.747 ( -2.172 3.273 9.993) 10.737 9.351 ( -2.143 -11.222 0.960) 11.465 9.550 ( 2.826 17.747 2.224) 18.108 9.686 ( 0.597 -10.788 5.232) 12.004 10.433 ( 2.323 17.246 3.358) 17.723 11.534 ( 1.701 23.004 -4.373) 23.478 11.784 ( 5.683 -0.250 -11.828) 13.124 12.041 ( -9.377 -2.994 -3.198) 10.349 12.826 ( 1.465 6.759 4.527) 8.266 13.184 ( 6.833 0.229 2.389) 7.242 13.477 ( -2.888 7.202 -3.235) 8.407 14.644 ( -0.323 -12.253 -21.212) 24.498 18.079 ( 9.049 -8.882 1.403) 12.757 18.770 ( -13.010 -16.338 -13.402) 24.816 19.535 ( 16.102 2.168 -3.177) 16.555 19.830 ( -8.589 2.781 -8.728) 12.557 20.921 ( 16.940 6.921 8.380) 20.127 22.248 ( -11.755 -15.713 3.181) 19.879 23.735 ( -17.748 11.591 -5.899) 22.004 23.761 ( 4.461 3.046 -2.973) 6.166 ======================= Grid point 407 (198/432) ======================= q-point: (-0.09 0.18 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( -1.553 6.801 27.608) 28.475 2.650 ( 12.586 8.977 20.291) 25.509 3.829 ( 3.099 -6.254 -1.026) 7.055 4.171 ( 2.848 7.209 18.806) 20.341 4.461 ( 1.277 -13.136 -12.281) 18.028 4.733 ( -7.348 -2.740 -0.736) 7.876 4.933 ( -2.500 -3.066 -3.373) 5.199 5.208 ( -1.731 9.620 -11.285) 14.929 5.708 ( 7.746 -2.037 10.174) 12.948 6.044 ( -7.626 5.868 16.205) 18.847 6.308 ( -7.106 -1.366 21.478) 22.664 6.715 ( 0.213 -3.705 -2.603) 4.533 6.941 ( -8.891 -6.981 5.340) 12.502 7.159 ( -6.353 -2.843 6.915) 9.811 7.340 ( -1.907 -4.347 -2.756) 5.489 7.905 ( -9.448 -13.628 18.118) 24.561 8.839 ( 1.209 0.032 9.324) 9.402 9.362 ( -5.056 -2.118 3.341) 6.419 9.557 ( 8.458 14.188 6.036) 17.586 9.748 ( -7.169 -1.602 0.093) 7.347 10.439 ( 7.761 0.132 1.347) 7.878 11.318 ( 2.171 21.933 -2.879) 22.228 11.707 ( 4.062 0.051 -12.816) 13.444 11.950 ( -2.195 -7.294 -6.711) 10.152 12.853 ( 1.248 9.024 8.183) 12.245 13.268 ( 0.673 -0.046 -0.641) 0.931 13.400 ( 5.136 5.118 0.096) 7.252 14.473 ( -3.317 -8.810 -19.148) 21.337 18.230 ( 11.443 -3.573 -6.076) 13.440 18.581 ( -15.584 -14.484 -9.409) 23.263 19.442 ( -11.003 8.799 -8.827) 16.626 19.738 ( 2.594 0.070 -2.035) 3.298 21.213 ( 13.759 -3.457 10.879) 17.878 22.227 ( -4.832 -5.533 -4.119) 8.422 23.403 ( -9.957 10.657 -2.364) 14.775 23.779 ( 5.301 0.821 -2.628) 5.973 ======================= Grid point 411 (199/432) ======================= q-point: ( 0.27 -0.73 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( -6.495 -0.000 -10.943) 12.726 2.957 ( -16.137 -0.000 -6.128) 17.261 3.847 ( -14.284 -0.000 5.704) 15.381 3.955 ( -12.444 -0.000 3.341) 12.885 4.327 ( -10.673 -0.000 2.766) 11.026 4.475 ( 7.761 0.000 -12.105) 14.380 4.753 ( 11.292 0.000 8.750) 14.286 4.789 ( -2.419 -0.000 2.686) 3.615 5.495 ( -3.709 -0.000 8.512) 9.285 5.740 ( -21.291 -0.000 -2.903) 21.489 6.083 ( -11.058 -0.000 -9.410) 14.520 6.189 ( 2.151 0.000 4.116) 4.644 7.074 ( -7.364 -0.000 -6.006) 9.503 7.234 ( 2.360 0.000 3.673) 4.365 7.813 ( 0.572 0.000 -6.993) 7.016 8.158 ( -25.216 -0.000 27.622) 37.401 8.748 ( -10.414 -0.000 7.276) 12.704 9.275 ( -5.981 -0.000 -2.870) 6.634 9.349 ( -9.980 -0.000 5.447) 11.370 9.612 ( -2.453 -0.000 -9.925) 10.223 11.198 ( 13.566 0.000 11.149) 17.560 11.735 ( 15.171 0.000 -6.889) 16.662 12.235 ( 8.063 0.000 -5.199) 9.594 12.442 ( -0.051 -0.000 1.374) 1.375 12.971 ( -14.579 -0.000 12.311) 19.081 13.020 ( -6.742 -0.000 -10.770) 12.706 13.235 ( 18.781 0.000 10.686) 21.608 14.259 ( 13.888 0.000 -10.877) 17.640 17.142 ( -7.712 -0.000 -9.392) 12.153 18.813 ( 7.452 0.000 14.653) 16.439 19.203 ( 10.892 0.000 -6.062) 12.465 19.299 ( 11.343 0.000 3.250) 11.799 21.131 ( -1.231 -0.000 -21.656) 21.691 22.425 ( -12.465 -0.000 3.133) 12.853 23.759 ( 8.907 0.000 10.454) 13.734 24.106 ( 2.692 0.000 3.015) 4.042 ======================= Grid point 413 (200/432) ======================= q-point: (-0.64 0.27 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( -11.375 5.238 1.843) 12.658 2.730 ( -7.152 4.192 -6.902) 10.786 3.751 ( -12.776 -1.659 8.622) 15.502 3.853 ( -14.587 -7.114 5.716) 17.207 4.145 ( -16.159 -1.461 -2.301) 16.387 4.333 ( -2.665 -4.829 -12.811) 13.948 4.914 ( 8.594 7.124 7.542) 13.472 5.036 ( 6.518 -4.614 10.966) 13.566 5.390 ( -9.638 9.839 2.181) 13.944 5.585 ( -13.592 -9.154 1.399) 16.446 5.889 ( -6.499 -6.060 -2.421) 9.210 6.289 ( 4.093 1.115 5.891) 7.259 6.899 ( -7.016 -1.059 -7.698) 10.469 7.231 ( -7.604 1.932 1.028) 7.913 7.755 ( 0.594 -1.852 -5.890) 6.203 8.045 ( -28.407 2.216 16.496) 32.924 8.710 ( -5.440 1.367 7.023) 8.988 9.201 ( -4.689 -8.937 -3.833) 10.796 9.266 ( -11.010 1.785 5.026) 12.234 9.556 ( 3.127 0.420 -0.743) 3.242 11.440 ( 9.842 4.283 6.483) 12.539 11.783 ( 10.964 12.940 -4.165) 17.464 12.201 ( 3.718 9.769 -4.826) 11.513 12.513 ( 0.842 -15.355 -2.106) 15.522 12.814 ( -7.539 4.652 -3.536) 9.538 12.915 ( -11.239 -3.984 5.145) 12.987 13.620 ( 16.553 -1.033 11.364) 20.105 14.323 ( 14.996 -5.430 -14.775) 21.741 16.987 ( -4.927 -0.059 -2.543) 5.545 19.054 ( 11.224 1.051 2.555) 11.559 19.277 ( 7.658 -0.297 0.128) 7.665 19.577 ( 22.947 -0.725 4.828) 23.461 20.848 ( -4.228 1.950 -19.904) 20.441 22.274 ( -15.685 -3.919 0.243) 16.169 23.935 ( 3.591 5.947 8.766) 11.185 24.191 ( 1.259 -5.020 4.601) 6.925 ======================= Grid point 414 (201/432) ======================= q-point: (-0.55 0.27 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( -8.380 15.393 3.612) 17.895 2.624 ( -6.747 10.980 10.326) 16.514 3.744 ( -8.185 -7.225 5.579) 12.261 3.840 ( -16.485 -9.716 9.113) 21.195 3.941 ( -11.971 -8.520 0.675) 14.708 4.271 ( 1.355 -9.679 -7.135) 12.101 4.916 ( -2.515 18.893 7.456) 20.466 5.200 ( 2.085 -6.465 3.736) 7.752 5.266 ( -12.718 -2.591 -2.931) 13.307 5.581 ( -0.745 -5.790 13.126) 14.366 5.958 ( -0.365 -7.870 5.963) 9.881 6.383 ( 2.478 0.408 3.089) 3.981 6.765 ( -2.347 -2.472 -6.586) 7.416 7.021 ( -22.307 1.225 0.876) 22.357 7.692 ( -4.904 -1.472 -5.666) 7.636 7.871 ( -11.727 0.983 6.158) 13.282 8.751 ( -2.049 0.582 9.193) 9.437 9.152 ( -10.183 1.680 2.354) 10.585 9.208 ( -5.886 -12.807 -0.243) 14.097 9.642 ( 5.249 0.725 6.010) 8.012 11.464 ( 6.253 22.511 -2.526) 23.499 11.777 ( 6.174 9.363 2.518) 11.494 12.109 ( 1.034 5.368 -4.693) 7.205 12.626 ( 4.399 -10.981 -4.665) 12.716 12.662 ( -9.400 5.760 3.811) 11.665 12.894 ( -5.246 -7.313 1.907) 9.200 13.882 ( 8.859 1.125 4.227) 9.880 14.400 ( 14.142 -10.996 -16.891) 24.621 16.982 ( 0.248 -2.236 6.308) 6.697 19.092 ( 11.875 0.581 -18.580) 22.059 19.414 ( 3.075 2.002 9.319) 10.015 19.987 ( 30.101 0.794 5.063) 30.535 20.550 ( -6.980 1.674 -15.936) 17.478 22.113 ( -16.513 -6.970 1.267) 17.969 23.962 ( 0.691 9.339 3.920) 10.151 24.302 ( -3.217 -7.963 5.257) 10.070 ======================= Grid point 415 (202/432) ======================= q-point: (-0.45 0.27 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( -4.685 20.506 12.989) 24.722 2.572 ( -5.663 18.835 16.161) 25.457 3.668 ( -14.397 -0.897 2.418) 14.626 3.802 ( -6.741 -12.117 5.035) 14.751 4.102 ( -0.715 -17.039 9.835) 19.687 4.336 ( 2.699 -10.087 -2.123) 10.656 4.822 ( -5.979 17.105 12.491) 22.008 5.119 ( -11.571 -14.799 -0.441) 18.791 5.332 ( 2.599 -5.549 4.055) 7.348 5.798 ( 0.063 -1.143 14.903) 14.947 6.058 ( -2.782 -5.286 3.294) 6.821 6.426 ( 0.852 -4.298 0.111) 4.383 6.670 ( -14.469 -0.535 1.202) 14.529 6.819 ( -3.886 -3.661 0.987) 5.429 7.557 ( -6.837 1.692 -1.343) 7.170 7.844 ( -1.394 -4.379 -2.169) 5.082 8.840 ( -0.712 1.606 9.978) 10.131 9.035 ( -10.494 -0.001 3.328) 11.009 9.243 ( -6.136 -12.997 0.890) 14.400 9.790 ( 5.636 2.134 8.155) 10.140 11.240 ( 3.247 32.100 -4.189) 32.534 11.808 ( 3.879 3.868 -0.428) 5.495 12.038 ( -0.053 4.626 -1.839) 4.978 12.524 ( -6.728 11.046 2.881) 13.251 12.724 ( 1.800 -9.526 -1.587) 9.824 12.940 ( 0.696 -6.550 1.086) 6.676 13.920 ( 1.342 4.965 -3.724) 6.350 14.472 ( 10.260 -14.747 -17.925) 25.378 17.183 ( 5.996 -7.390 14.241) 17.128 18.965 ( 6.148 -3.775 -25.517) 26.517 19.495 ( 3.917 6.748 3.696) 8.634 20.226 ( -2.167 -1.602 -15.437) 15.671 20.483 ( 24.513 5.738 8.687) 26.632 22.007 ( -15.090 -9.233 4.443) 18.240 23.916 ( -0.050 8.254 0.933) 8.306 24.320 ( -9.497 -5.794 1.223) 11.192 ======================= Grid point 416 (203/432) ======================= q-point: (-0.36 0.27 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( -2.465 16.603 16.373) 23.448 2.540 ( -2.213 22.809 18.365) 29.367 3.597 ( -6.037 -0.390 8.381) 10.336 3.908 ( -0.474 -8.227 6.194) 10.309 4.259 ( 1.771 -9.469 -5.372) 11.029 4.489 ( 1.425 -18.494 3.488) 18.874 4.778 ( -10.088 13.587 22.705) 28.318 5.217 ( -4.538 -15.962 9.027) 18.890 5.446 ( 6.104 -4.508 -1.775) 7.793 5.917 ( -3.424 0.692 11.638) 12.151 6.016 ( -15.541 -7.684 2.695) 17.545 6.498 ( 1.963 -0.159 6.560) 6.849 6.617 ( -4.454 -11.082 3.633) 12.484 6.875 ( 4.200 -0.617 1.705) 4.575 7.475 ( -5.313 0.735 1.825) 5.666 7.812 ( -2.541 -4.991 -6.624) 8.675 8.859 ( -6.995 7.934 8.951) 13.856 9.039 ( -3.227 -9.999 5.864) 12.033 9.303 ( -2.991 -11.119 3.909) 12.160 9.901 ( 4.337 8.222 6.012) 11.070 10.972 ( 1.746 29.657 -1.778) 29.762 11.801 ( 4.347 0.425 -6.550) 7.872 11.971 ( -2.639 7.546 0.972) 8.053 12.344 ( -6.991 12.622 -2.484) 14.641 12.792 ( 0.624 -7.203 -1.109) 7.315 13.052 ( 6.526 -0.784 5.042) 8.284 13.787 ( -4.130 7.312 -5.711) 10.156 14.483 ( 5.312 -15.716 -20.235) 26.166 17.548 ( 9.036 -11.884 15.951) 21.847 18.753 ( -1.731 -8.935 -24.729) 26.350 19.517 ( 9.519 7.486 -3.069) 12.493 20.008 ( -9.201 -3.938 -10.513) 14.515 20.856 ( 25.548 11.247 7.528) 28.912 21.979 ( -11.436 -11.080 5.925) 16.990 23.857 ( 0.211 5.780 -0.973) 5.866 24.171 ( -14.872 -0.366 -3.854) 15.368 ======================= Grid point 417 (204/432) ======================= q-point: (-0.27 0.27 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( -0.246 14.166 16.754) 21.942 2.591 ( 3.585 16.666 19.688) 26.043 3.670 ( 0.303 -2.177 5.736) 6.142 4.060 ( 1.681 -2.226 11.363) 11.701 4.270 ( 1.751 -9.735 -8.603) 13.109 4.642 ( -0.329 -13.270 -2.848) 13.577 4.861 ( -7.399 5.350 21.837) 23.669 5.367 ( -1.367 -6.291 3.899) 7.526 5.531 ( 8.340 -0.345 -1.439) 8.470 5.942 ( -9.676 -2.377 16.062) 18.901 6.058 ( -9.552 -10.415 15.876) 21.255 6.610 ( 3.870 2.521 6.542) 8.008 6.719 ( -2.450 -13.196 1.491) 13.504 6.966 ( 2.910 -2.835 3.913) 5.641 7.413 ( -6.482 0.075 -0.882) 6.542 7.731 ( -5.088 -4.260 -2.983) 7.275 8.817 ( -6.412 4.716 9.589) 12.462 9.155 ( -3.163 -11.668 4.306) 12.833 9.458 ( 2.298 -10.766 7.020) 13.056 9.898 ( 4.123 17.429 4.332) 18.426 10.765 ( -0.241 22.343 0.826) 22.359 11.776 ( 6.967 -0.438 -10.452) 12.569 11.846 ( -6.424 10.414 -0.176) 12.237 12.084 ( -6.247 10.975 -8.744) 15.360 12.848 ( 0.321 -4.106 2.005) 4.581 13.220 ( 9.555 4.234 7.395) 12.802 13.598 ( -6.374 6.597 -3.875) 9.959 14.412 ( 1.242 -15.015 -21.589) 26.326 17.916 ( 9.297 -10.139 9.693) 16.828 18.532 ( -8.294 -12.059 -17.218) 22.598 19.568 ( 12.443 1.761 -7.173) 14.470 19.819 ( -8.402 -3.049 -7.648) 11.764 21.095 ( 13.457 13.102 7.932) 20.388 22.035 ( -2.237 -10.433 3.578) 11.255 23.809 ( 0.670 3.103 -1.823) 3.661 23.881 ( -15.630 5.738 -6.421) 17.845 ======================= Grid point 418 (205/432) ======================= q-point: (-0.18 0.27 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 0.544 11.772 19.795) 23.037 2.810 ( 12.162 9.685 18.577) 24.225 3.734 ( 1.555 -4.661 -1.449) 5.123 4.208 ( -7.323 -6.721 9.006) 13.413 4.290 ( 6.054 -4.486 -3.855) 8.464 4.642 ( -1.840 -8.543 -11.089) 14.118 4.930 ( -4.007 3.722 10.943) 12.234 5.349 ( 2.352 7.167 -5.620) 9.407 5.689 ( 8.796 -1.323 8.240) 12.125 6.105 ( -7.616 1.954 21.129) 22.545 6.229 ( -6.411 -8.600 22.408) 24.843 6.685 ( 1.863 -0.291 -0.408) 1.929 6.803 ( -3.498 -8.857 6.196) 11.361 7.080 ( -1.191 -6.060 6.600) 9.039 7.275 ( -8.404 -2.656 -5.803) 10.552 7.725 ( -5.606 -7.072 5.912) 10.788 8.848 ( -1.936 0.837 9.783) 10.008 9.239 ( -4.692 -10.089 3.503) 11.665 9.640 ( -0.073 -8.023 5.260) 9.594 9.871 ( 6.151 19.327 7.073) 21.480 10.596 ( -0.683 15.949 -0.204) 15.965 11.625 ( -10.462 9.699 -4.125) 14.850 11.726 ( 6.783 4.852 -12.714) 15.205 11.891 ( 2.746 2.950 -6.669) 7.792 12.915 ( 0.073 -2.166 4.461) 4.959 13.322 ( -1.316 6.268 1.858) 6.668 13.492 ( 4.940 5.722 2.124) 7.852 14.288 ( -1.282 -13.069 -19.685) 23.663 18.158 ( 11.018 -4.843 -1.462) 12.124 18.359 ( -12.037 -11.866 -6.728) 18.192 19.516 ( -5.662 0.008 -11.654) 12.956 19.738 ( 3.071 -0.119 -2.738) 4.116 21.207 ( 2.257 3.534 8.733) 9.687 22.156 ( 8.797 -2.996 -0.842) 9.331 23.565 ( -11.838 8.349 -4.880) 15.286 23.793 ( 2.499 0.749 -2.315) 3.488 ======================= Grid point 419 (206/432) ======================= q-point: (-0.09 0.27 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( 1.110 4.428 21.594) 22.071 3.127 ( 16.386 8.976 16.701) 25.060 3.765 ( 1.273 -5.831 -3.583) 6.961 4.195 ( -6.759 -11.456 -4.764) 14.129 4.378 ( -3.653 -4.423 5.389) 7.871 4.500 ( -1.430 -2.826 -16.215) 16.521 4.948 ( 0.968 8.571 3.447) 9.289 5.232 ( 5.002 11.679 -8.284) 15.168 5.889 ( 1.309 1.298 10.659) 10.817 6.189 ( -5.536 1.412 17.530) 18.438 6.441 ( -5.958 -1.544 11.294) 12.862 6.638 ( -2.451 0.589 -3.440) 4.265 6.913 ( -0.737 -1.786 5.596) 5.920 7.126 ( -8.428 -1.613 6.380) 10.692 7.242 ( -5.068 -11.469 11.352) 16.914 7.844 ( -3.848 -15.358 9.020) 18.222 8.963 ( -0.350 -0.611 10.643) 10.666 9.307 ( -4.864 -7.963 7.486) 11.963 9.613 ( -11.079 3.026 -2.672) 11.792 9.912 ( 10.243 14.893 8.402) 19.933 10.535 ( 4.265 5.305 -0.030) 6.806 11.345 ( -12.473 0.644 -8.654) 15.195 11.655 ( 10.691 8.583 -6.063) 14.991 11.913 ( 10.460 -0.124 -5.776) 11.949 12.981 ( -1.197 -0.304 6.062) 6.186 13.200 ( -7.337 2.470 -1.842) 7.958 13.584 ( 9.825 7.701 0.949) 12.519 14.170 ( -1.166 -9.075 -13.193) 16.055 18.173 ( -5.666 -6.299 -9.155) 12.474 18.339 ( 5.847 -3.877 -2.971) 7.619 19.262 ( -8.520 5.717 -9.067) 13.692 19.696 ( -8.254 2.020 0.660) 8.523 21.334 ( 1.118 -11.258 3.774) 11.926 22.275 ( 14.390 7.519 -1.264) 16.285 23.350 ( -4.811 6.547 -2.726) 8.570 23.812 ( 3.617 -1.054 -1.479) 4.048 ======================= Grid point 424 (207/432) ======================= q-point: ( 0.36 -0.64 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( -2.566 -0.000 1.329) 2.890 2.694 ( -3.766 -0.000 11.127) 11.747 3.695 ( -14.009 -0.000 6.749) 15.549 3.706 ( -14.016 -0.000 13.396) 19.388 3.892 ( -14.290 -0.000 -2.474) 14.503 4.171 ( 3.468 0.000 -10.845) 11.385 5.101 ( -9.140 -0.000 4.304) 10.103 5.113 ( 6.749 0.000 -5.615) 8.779 5.338 ( -17.799 -0.000 9.235) 20.052 5.461 ( 3.034 0.000 13.494) 13.831 5.886 ( 1.578 0.000 8.589) 8.732 6.384 ( 0.693 0.000 1.305) 1.478 6.740 ( -1.695 -0.000 -5.950) 6.187 7.035 ( -23.665 -0.000 -0.783) 23.678 7.676 ( -0.654 -0.000 -5.553) 5.591 7.885 ( -17.515 -0.000 7.437) 19.028 8.757 ( -2.991 -0.000 9.078) 9.558 9.081 ( -0.397 -0.000 -3.866) 3.886 9.182 ( -13.591 -0.000 6.676) 15.142 9.648 ( 5.684 0.000 5.583) 7.967 11.632 ( 7.253 0.000 3.502) 8.054 11.895 ( 7.407 0.000 -6.491) 9.849 12.292 ( 4.223 0.000 -2.501) 4.907 12.352 ( -5.159 -0.000 -2.095) 5.569 12.764 ( 3.605 0.000 -4.053) 5.424 12.810 ( -13.936 -0.000 8.616) 16.384 13.891 ( 8.783 0.000 6.514) 10.935 14.303 ( 14.786 0.000 -18.430) 23.628 16.964 ( -0.106 -0.000 4.860) 4.861 19.094 ( 11.330 0.000 -20.952) 23.819 19.434 ( 3.972 0.000 11.716) 12.371 19.993 ( 30.992 0.000 5.311) 31.444 20.564 ( -7.125 -0.000 -17.037) 18.467 22.056 ( -15.929 -0.000 1.353) 15.987 24.076 ( -3.003 -0.000 8.684) 9.188 24.200 ( -0.168 -0.000 1.112) 1.125 ======================= Grid point 426 (208/432) ======================= q-point: (-0.55 0.36 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( -4.042 10.943 8.168) 14.241 2.837 ( 2.792 10.342 17.941) 20.896 3.596 ( -17.121 -4.046 4.706) 18.211 3.661 ( -8.978 -6.944 7.120) 13.399 3.882 ( 1.579 -6.401 8.563) 10.807 4.178 ( 7.611 -6.345 -6.977) 12.119 4.940 ( -13.268 -5.701 -7.004) 16.050 5.018 ( -10.571 3.910 10.062) 15.109 5.372 ( -0.137 8.828 14.532) 17.004 5.721 ( 2.530 -7.369 13.578) 15.655 6.022 ( 0.885 0.640 8.283) 8.355 6.329 ( -2.931 -5.051 -5.482) 8.009 6.681 ( -24.111 0.920 1.508) 24.176 6.767 ( 3.305 -1.976 1.404) 4.099 7.606 ( -0.091 2.867 -4.474) 5.314 7.777 ( -7.373 -3.056 -0.217) 7.984 8.831 ( -2.707 -0.971 9.223) 9.661 9.066 ( -9.152 1.340 4.216) 10.165 9.093 ( -4.455 -4.277 3.196) 6.953 9.812 ( 6.078 0.591 9.363) 11.178 11.666 ( 5.578 14.583 -3.703) 16.047 11.866 ( 3.451 2.666 -6.691) 7.986 12.140 ( -4.620 11.431 0.694) 12.349 12.463 ( 0.068 -19.338 -1.594) 19.404 12.695 ( -8.189 7.842 5.468) 12.588 12.862 ( 6.271 -3.844 2.775) 7.862 13.976 ( -0.299 1.928 0.226) 1.964 14.285 ( 12.548 -6.522 -20.550) 24.946 17.103 ( 5.428 -2.321 11.775) 13.172 18.918 ( 4.535 -1.583 -27.709) 28.122 19.577 ( 3.919 2.702 5.694) 7.422 20.207 ( -3.304 -0.632 -17.496) 17.817 20.547 ( 28.339 1.957 8.362) 29.611 21.908 ( -13.823 -2.867 4.553) 14.833 24.049 ( -5.087 6.983 3.606) 9.362 24.214 ( -5.130 -6.181 0.184) 8.035 ======================= Grid point 427 (209/432) ======================= q-point: (-0.45 0.36 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( -3.779 13.088 10.479) 17.187 2.932 ( 1.803 23.383 16.527) 28.691 3.543 ( -6.218 -5.472 7.341) 11.068 3.766 ( -0.945 -10.582 8.203) 13.422 4.087 ( 3.523 -9.262 4.188) 10.758 4.243 ( 4.760 -9.527 -7.076) 12.787 4.851 ( -13.349 -8.405 12.428) 20.083 5.050 ( -4.538 -0.725 16.130) 16.772 5.452 ( 4.075 6.856 6.346) 10.192 5.858 ( -9.473 -7.345 5.008) 12.991 6.023 ( -1.664 7.020 4.000) 8.249 6.405 ( 1.787 -10.087 6.437) 12.099 6.484 ( -12.483 -5.061 5.999) 14.745 6.869 ( 5.976 0.093 1.861) 6.260 7.528 ( -1.637 5.157 -1.233) 5.549 7.723 ( -1.614 -5.606 -6.329) 8.608 8.902 ( -7.789 -6.019 8.309) 12.882 8.971 ( -8.826 5.112 8.266) 13.128 9.164 ( 0.805 -5.716 4.424) 7.273 9.989 ( 5.487 2.996 10.316) 12.063 11.462 ( 2.559 26.875 -7.802) 28.102 11.812 ( 4.066 0.644 -8.651) 9.580 12.032 ( -8.160 1.884 2.283) 8.680 12.553 ( -3.061 5.524 -4.580) 7.801 12.606 ( -4.075 -8.939 6.533) 11.798 13.052 ( 11.336 -0.162 6.759) 13.199 13.877 ( -6.888 3.726 -3.933) 8.763 14.253 ( 7.714 -11.012 -21.644) 25.480 17.397 ( 9.180 -6.066 15.793) 19.248 18.639 ( -1.510 -4.707 -27.382) 27.825 19.625 ( 5.969 5.233 -2.210) 8.241 19.943 ( -9.186 -3.509 -13.602) 16.784 21.014 ( 30.862 7.071 7.885) 32.628 21.842 ( -10.817 -5.495 5.630) 13.375 23.952 ( -4.678 5.419 0.372) 7.168 24.139 ( -10.306 -3.084 -3.008) 11.170 ======================= Grid point 428 (210/432) ======================= q-point: (-0.36 0.36 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( 3.968 11.908 11.140) 16.782 2.908 ( -1.244 21.599 14.842) 26.236 3.630 ( 0.543 -2.280 4.929) 5.457 3.958 ( -2.156 -10.810 10.347) 15.118 4.144 ( 3.635 -4.820 -5.554) 8.203 4.376 ( 4.304 -15.812 -3.454) 16.747 4.944 ( -9.760 0.233 20.764) 22.944 5.257 ( -0.801 -5.811 17.583) 18.535 5.515 ( 10.267 0.737 -5.209) 11.536 5.823 ( -11.354 -7.822 10.818) 17.525 6.052 ( -1.426 6.052 13.484) 14.849 6.522 ( -3.589 -9.151 4.395) 10.768 6.598 ( 2.054 -5.460 9.422) 11.082 6.946 ( 3.021 0.329 1.748) 3.505 7.428 ( -7.220 1.502 -2.776) 7.880 7.683 ( 2.182 -1.259 -5.597) 6.138 8.870 ( -12.290 -0.741 9.030) 15.269 9.000 ( -3.974 -4.386 7.274) 9.378 9.312 ( 3.111 -6.780 7.705) 10.724 10.120 ( 4.689 9.076 9.327) 13.834 11.169 ( -0.069 25.246 -6.788) 26.142 11.772 ( 7.252 -0.211 -10.690) 12.919 11.904 ( -12.943 0.293 -0.274) 12.949 12.349 ( -2.979 16.162 -5.888) 17.458 12.719 ( -1.622 -10.115 3.856) 10.945 13.293 ( 12.797 3.487 9.420) 16.269 13.682 ( -10.701 3.412 -3.417) 11.740 14.170 ( 3.305 -13.115 -22.612) 26.348 17.762 ( 9.717 -7.765 14.656) 19.223 18.372 ( -4.273 -7.148 -20.231) 21.878 19.593 ( 4.158 1.284 -11.059) 11.884 19.760 ( -4.410 -3.369 -6.200) 8.321 21.326 ( 14.333 13.869 6.855) 21.090 21.882 ( 2.676 -8.439 3.439) 9.498 23.859 ( -3.731 2.694 -0.976) 4.704 23.940 ( -12.361 1.763 -6.004) 13.854 ======================= Grid point 429 (211/432) ======================= q-point: (-0.27 0.36 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( 6.115 15.088 11.493) 19.929 2.966 ( 5.876 9.487 16.483) 19.906 3.687 ( 1.662 -0.886 0.864) 2.073 4.045 ( -8.885 -10.388 2.577) 13.911 4.215 ( 1.946 -6.196 0.767) 6.539 4.467 ( 3.331 -11.926 -9.946) 15.882 5.025 ( -0.559 6.337 10.500) 12.277 5.440 ( 2.050 2.949 7.582) 8.389 5.627 ( 8.383 -6.205 2.320) 10.684 6.044 ( -1.999 -11.194 26.726) 29.045 6.154 ( -4.037 4.258 16.058) 17.096 6.593 ( -3.463 -8.604 2.254) 9.544 6.746 ( 3.128 -0.459 6.856) 7.550 6.996 ( -1.397 -3.251 3.794) 5.188 7.248 ( -11.487 -0.897 -5.668) 12.841 7.676 ( 1.658 0.769 -0.985) 2.076 8.852 ( -7.395 -1.431 9.138) 11.842 9.071 ( -5.891 -8.501 6.889) 12.427 9.507 ( 2.515 -7.201 7.977) 11.037 10.173 ( 4.555 15.564 8.016) 18.090 10.901 ( -1.989 19.632 -4.922) 20.337 11.655 ( -13.909 -0.245 -8.996) 16.567 11.782 ( 7.003 0.963 -6.804) 9.811 12.114 ( 2.036 18.517 -6.687) 19.793 12.815 ( -2.090 -8.720 3.216) 9.526 13.425 ( -7.377 4.756 1.271) 8.869 13.584 ( 8.274 5.028 7.013) 11.955 14.055 ( 0.752 -14.206 -21.037) 25.396 18.072 ( 9.521 -5.467 6.768) 12.898 18.198 ( -6.157 -7.229 -8.823) 12.962 19.466 ( -4.269 -4.811 -12.217) 13.807 19.735 ( 4.839 -0.299 -4.170) 6.394 21.320 ( -5.642 9.032 3.924) 11.350 22.119 ( 19.075 -1.747 1.924) 19.251 23.677 ( -11.631 5.160 -5.522) 13.871 23.801 ( -1.068 0.159 -2.178) 2.431 ======================= Grid point 430 (212/432) ======================= q-point: (-0.18 0.36 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.773 ( -1.176 9.338 14.058) 16.918 3.250 ( 17.072 5.479 14.210) 22.878 3.713 ( 0.419 -0.059 0.820) 0.923 4.015 ( -7.084 -9.433 -2.723) 12.107 4.260 ( -8.448 -9.470 3.009) 13.042 4.439 ( 5.005 -4.824 -15.401) 16.898 5.087 ( 6.606 7.706 2.926) 10.564 5.423 ( 4.270 10.915 -5.008) 12.746 5.869 ( 3.518 -5.462 13.161) 14.677 6.196 ( -7.683 -0.030 10.410) 12.938 6.411 ( -4.050 -2.269 21.058) 21.564 6.610 ( -4.683 -4.355 -0.017) 6.395 6.878 ( 3.484 -2.079 7.548) 8.569 7.047 ( -5.159 -9.337 4.788) 11.692 7.105 ( -7.778 -1.287 6.803) 10.413 7.693 ( 1.441 -2.857 0.254) 3.210 8.917 ( -3.497 -4.760 9.568) 11.244 9.152 ( -6.405 -9.627 8.680) 14.458 9.619 ( -4.131 -1.438 3.838) 5.820 10.178 ( 4.156 15.728 6.531) 17.530 10.704 ( 1.955 13.402 -2.810) 13.832 11.329 ( -18.373 -0.139 -10.636) 21.230 11.801 ( 11.227 5.225 -6.502) 13.986 11.993 ( 8.694 11.278 -3.930) 14.772 12.883 ( -3.682 -9.217 2.355) 10.201 13.264 ( -9.938 3.111 0.181) 10.415 13.721 ( 6.929 7.534 0.929) 10.278 13.996 ( 4.660 -11.074 -10.092) 15.691 18.092 ( -4.784 -3.370 -4.997) 7.695 18.270 ( 6.983 -4.368 0.972) 8.293 19.300 ( -4.211 -0.693 -10.525) 11.358 19.730 ( -2.414 1.471 -1.138) 3.047 21.217 ( -6.091 -2.542 -1.054) 6.684 22.389 ( 20.745 6.163 2.417) 21.775 23.452 ( -6.474 5.551 -4.594) 9.687 23.787 ( 0.489 -2.056 -1.008) 2.342 ======================= Grid point 431 (213/432) ======================= q-point: (-0.09 0.36 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( -7.103 -1.742 13.323) 15.198 3.569 ( 15.039 4.852 8.918) 18.145 3.746 ( 2.191 1.276 6.392) 6.877 3.966 ( -5.677 -8.591 -4.963) 11.431 4.201 ( -12.117 -6.793 -3.180) 14.251 4.378 ( 8.061 -0.655 -11.589) 14.132 5.111 ( 4.967 8.277 0.204) 9.655 5.295 ( 4.844 13.187 -9.724) 17.085 5.986 ( -8.033 3.993 9.708) 13.218 6.262 ( -6.106 -6.035 8.179) 11.857 6.342 ( -13.264 3.052 -1.847) 13.736 6.555 ( -5.556 -4.320 -2.346) 7.419 6.958 ( 1.490 1.307 2.607) 3.275 7.105 ( -5.366 -0.069 7.294) 9.056 7.366 ( -0.971 -11.101 31.445) 33.361 7.789 ( 4.866 -9.653 -0.670) 10.831 9.032 ( -5.671 -5.792 11.913) 14.409 9.270 ( -4.783 -10.092 9.346) 14.563 9.475 ( -11.672 8.876 -2.443) 14.866 10.196 ( 4.995 8.804 3.967) 10.872 10.680 ( 6.628 10.401 1.939) 12.485 10.989 ( -13.778 -6.775 -11.801) 19.365 11.870 ( 14.097 5.966 -1.104) 15.347 12.032 ( 11.905 4.938 -2.281) 13.089 12.929 ( -6.140 -10.472 2.586) 12.411 13.137 ( -5.791 4.637 1.003) 7.486 13.650 ( -1.509 1.058 -9.243) 9.425 14.116 ( 11.245 0.840 1.324) 11.354 17.964 ( -7.519 -0.341 -7.971) 10.964 18.374 ( 7.748 -2.311 -3.155) 8.679 19.161 ( 0.186 4.638 -4.898) 6.749 19.596 ( -14.162 5.368 2.419) 15.337 21.204 ( 0.758 -13.433 -7.763) 15.533 22.598 ( 15.670 11.927 5.812) 20.532 23.324 ( 0.148 3.320 -3.968) 5.176 23.825 ( 2.037 -3.293 1.015) 4.002 ======================= Grid point 437 (214/432) ======================= q-point: ( 0.45 -0.55 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( -4.871 -0.000 7.376) 8.839 3.209 ( 9.369 0.000 20.158) 22.229 3.469 ( -10.446 -0.000 7.980) 13.145 3.602 ( -4.007 -0.000 4.079) 5.718 4.017 ( 6.234 0.000 7.644) 9.863 4.167 ( 5.745 0.000 -8.690) 10.418 4.749 ( -8.068 -0.000 7.140) 10.774 5.047 ( -10.977 -0.000 18.510) 21.520 5.569 ( -1.603 -0.000 12.832) 12.931 5.758 ( -1.379 -0.000 -4.372) 4.584 6.151 ( -2.066 -0.000 11.313) 11.500 6.246 ( 1.645 0.000 3.250) 3.643 6.442 ( -15.404 -0.000 6.471) 16.708 6.872 ( 6.812 0.000 2.095) 7.127 7.621 ( 7.287 0.000 -4.864) 8.761 7.630 ( -8.803 -0.000 -3.600) 9.511 8.850 ( -10.406 -0.000 9.323) 13.971 9.018 ( -9.149 -0.000 8.464) 12.464 9.114 ( 2.512 0.000 4.100) 4.808 10.013 ( 5.806 0.000 11.511) 12.893 11.735 ( 5.473 0.000 -9.715) 11.150 11.810 ( 3.132 0.000 -10.267) 10.734 12.068 ( -12.334 -0.000 -1.989) 12.494 12.406 ( 1.779 0.000 4.237) 4.596 12.674 ( -10.424 -0.000 7.577) 12.887 13.046 ( 14.711 0.000 5.261) 15.623 13.911 ( -9.465 -0.000 -1.786) 9.632 14.153 ( 10.189 0.000 -23.541) 25.652 17.347 ( 9.277 0.000 15.338) 17.926 18.599 ( -1.344 -0.000 -28.195) 28.227 19.674 ( 4.654 0.000 -0.279) 4.662 19.909 ( -9.227 -0.000 -16.301) 18.731 21.075 ( 33.992 0.000 7.872) 34.892 21.796 ( -11.756 -0.000 5.646) 13.041 24.013 ( -9.968 -0.000 2.548) 10.288 24.096 ( -5.206 -0.000 -4.467) 6.860 ======================= Grid point 439 (215/432) ======================= q-point: (-0.45 0.45 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( 2.399 4.688 8.279) 9.812 3.298 ( -1.660 24.440 10.283) 26.567 3.600 ( 3.531 -1.114 7.676) 8.522 3.689 ( -3.379 -20.891 7.671) 22.510 4.109 ( 3.443 0.401 -4.430) 5.625 4.176 ( 3.181 -7.438 -0.655) 8.117 4.891 ( 0.906 -3.345 17.860) 18.193 5.181 ( -7.770 -2.845 24.311) 25.681 5.581 ( 3.941 5.328 -10.538) 12.448 5.713 ( -3.032 -5.392 6.561) 9.017 6.199 ( -1.854 10.245 14.512) 17.860 6.422 ( -5.164 -2.921 7.841) 9.832 6.449 ( 2.627 -10.532 11.694) 15.956 6.960 ( 3.987 0.728 0.974) 4.168 7.448 ( -10.039 0.577 -5.464) 11.444 7.684 ( 9.817 0.639 -5.277) 11.164 8.802 ( -16.215 -3.616 11.383) 20.139 9.010 ( -5.284 1.824 6.802) 8.804 9.232 ( 3.134 -2.688 7.959) 8.966 10.213 ( 5.257 2.520 12.163) 13.487 11.540 ( 0.740 16.398 -15.908) 22.858 11.754 ( 5.404 -2.593 -11.928) 13.349 11.904 ( -11.947 0.153 1.188) 12.007 12.486 ( 0.237 -3.330 -0.231) 3.346 12.618 ( -7.910 2.624 8.063) 11.596 13.322 ( 15.714 0.325 7.848) 17.568 13.716 ( -14.793 0.871 -2.506) 15.029 14.010 ( 5.649 -5.237 -23.295) 24.536 17.672 ( 10.194 -2.830 16.185) 19.336 18.293 ( -2.190 -2.374 -21.401) 21.644 19.610 ( -6.506 0.634 -14.098) 15.540 19.718 ( 3.619 -1.451 -4.690) 6.099 21.536 ( 21.594 10.604 6.332) 24.877 21.743 ( -1.162 -8.169 3.317) 8.893 23.894 ( -8.593 1.330 0.138) 8.697 23.951 ( -8.165 -0.005 -6.324) 10.328 ======================= Grid point 440 (216/432) ======================= q-point: (-0.36 0.45 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.912 ( 13.649 7.508 9.083) 18.032 3.171 ( -5.793 16.221 9.414) 19.630 3.685 ( 1.590 -1.582 3.285) 3.977 3.873 ( -4.653 -9.092 6.767) 12.252 4.117 ( -0.568 -4.108 -2.510) 4.847 4.264 ( 4.720 -11.605 -5.754) 13.786 5.118 ( 5.621 4.597 10.801) 13.015 5.407 ( -6.664 -5.837 23.169) 24.805 5.533 ( 11.913 -4.618 -10.951) 16.828 5.895 ( 3.271 -5.342 17.097) 18.208 6.268 ( -3.324 8.434 15.475) 17.934 6.490 ( -3.386 -3.532 8.563) 9.863 6.687 ( 3.174 -6.460 9.945) 12.277 6.979 ( -1.418 0.565 0.608) 1.643 7.238 ( -11.865 -0.367 -5.443) 13.059 7.726 ( 8.289 4.103 -4.859) 10.447 8.772 ( -15.106 -6.755 11.763) 20.303 9.005 ( -6.056 -0.253 6.923) 9.201 9.411 ( 3.627 -4.177 9.867) 11.312 10.364 ( 3.460 7.322 10.614) 13.351 11.207 ( -2.669 15.222 -15.020) 21.551 11.662 ( -6.457 1.196 -8.877) 11.042 11.797 ( 2.291 1.128 -3.698) 4.494 12.392 ( -0.451 12.937 -4.645) 13.753 12.659 ( -4.707 -8.432 5.282) 11.007 13.471 ( -14.080 1.218 -0.332) 14.137 13.630 ( 13.336 -0.770 7.702) 15.419 13.860 ( 1.482 -7.286 -19.766) 21.119 17.989 ( 7.605 -3.863 12.674) 15.277 18.116 ( -0.345 -2.972 -10.719) 11.128 19.391 ( -4.814 -3.608 -12.560) 13.927 19.729 ( 5.626 -0.323 -5.554) 7.912 21.467 ( -10.367 7.399 -1.031) 12.778 22.093 ( 26.772 -1.356 4.954) 27.260 23.742 ( -10.172 2.874 -5.184) 11.773 23.797 ( -4.783 -0.647 -2.400) 5.391 ======================= Grid point 441 (217/432) ======================= q-point: (-0.27 0.45 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( -6.858 12.062 7.018) 15.549 3.312 ( 17.225 2.254 12.400) 21.343 3.749 ( 1.230 2.495 4.537) 5.322 3.887 ( -9.406 -5.484 2.178) 11.104 4.101 ( -4.193 -7.846 -0.857) 8.937 4.337 ( 8.961 -7.341 -12.399) 16.968 5.199 ( 8.294 5.852 -1.650) 10.284 5.575 ( 5.554 6.697 -1.285) 8.795 5.696 ( 1.978 -13.701 14.644) 20.151 6.158 ( -0.205 -6.198 2.178) 6.573 6.387 ( -4.985 1.513 30.000) 30.449 6.546 ( -6.656 -1.784 4.319) 8.133 6.851 ( 3.935 -1.568 4.596) 6.250 6.952 ( -4.699 -2.967 3.759) 6.709 7.087 ( -7.689 -0.697 4.969) 9.181 7.720 ( 5.510 4.865 -4.583) 8.662 8.796 ( -11.569 -9.402 11.022) 18.540 9.029 ( -6.957 -4.555 8.932) 12.204 9.588 ( 1.582 -1.878 8.694) 9.034 10.406 ( 0.252 11.086 5.975) 12.596 10.904 ( -3.383 8.375 -13.168) 15.969 11.400 ( -12.418 9.720 -5.012) 16.547 11.835 ( 11.096 -0.100 -5.923) 12.578 12.231 ( 3.525 14.958 -4.520) 16.018 12.712 ( -5.600 -10.631 1.510) 12.110 13.287 ( -12.728 -0.036 1.413) 12.806 13.719 ( -1.181 -9.904 -17.160) 19.848 13.912 ( 14.494 3.375 9.702) 17.765 18.061 ( -1.514 -0.365 -1.435) 2.118 18.198 ( 5.406 -4.159 3.516) 7.673 19.264 ( -0.370 -2.928 -8.817) 9.298 19.737 ( 2.582 -0.467 -3.857) 4.665 21.231 ( -10.588 3.075 -6.813) 12.960 22.477 ( 25.171 4.349 5.121) 26.052 23.534 ( -7.270 4.281 -5.286) 9.956 23.744 ( -3.058 -3.016 -0.681) 4.349 ======================= Grid point 442 (218/432) ======================= q-point: (-0.18 -0.55 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( -15.797 0.887 9.177) 18.291 3.621 ( 5.075 2.102 6.180) 8.268 3.792 ( 5.900 1.484 7.766) 9.865 3.846 ( -2.996 -5.663 -0.314) 6.415 4.113 ( -2.751 -1.231 1.009) 3.178 4.351 ( 12.146 -3.080 -14.403) 19.091 5.207 ( 3.639 3.721 -4.360) 6.790 5.504 ( 6.196 11.290 -9.378) 15.932 5.994 ( -0.874 -6.553 14.740) 16.155 6.125 ( -6.888 -7.737 0.763) 10.387 6.369 ( -17.178 -1.448 -8.221) 19.099 6.521 ( -10.869 3.633 11.581) 16.293 6.965 ( 1.945 -0.531 5.913) 6.248 7.113 ( -4.649 -1.597 9.323) 10.540 7.198 ( 7.010 -6.463 25.738) 27.448 7.716 ( 7.565 0.596 -5.149) 9.170 8.875 ( -10.818 -11.974 12.146) 20.197 9.107 ( -5.699 -8.475 9.365) 13.857 9.621 ( -6.071 7.366 4.174) 10.418 10.348 ( -0.664 9.036 0.382) 9.068 10.703 ( -2.629 -4.548 -11.406) 12.558 11.110 ( -8.070 17.732 -0.272) 19.484 11.930 ( 12.954 1.496 -4.471) 13.785 12.166 ( 7.832 10.236 -0.701) 12.908 12.737 ( -6.449 -12.042 0.965) 13.694 13.182 ( -6.792 0.952 2.473) 7.291 13.593 ( -3.751 -7.589 -12.192) 14.843 14.166 ( 14.549 4.541 7.291) 16.895 17.979 ( -6.388 2.002 -5.337) 8.562 18.323 ( 7.018 -3.728 0.653) 7.974 19.220 ( 4.587 2.675 -4.139) 6.732 19.676 ( -8.243 3.492 0.233) 8.955 21.040 ( -2.899 -6.197 -11.850) 13.683 22.779 ( 19.773 9.597 6.438) 22.903 23.378 ( -2.482 3.263 -5.098) 6.542 23.758 ( -0.937 -4.848 2.182) 5.398 ======================= Grid point 443 (219/432) ======================= q-point: (-0.09 -0.55 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( -20.371 -7.437 9.180) 23.549 3.563 ( -18.909 -11.376 2.673) 22.228 3.860 ( 2.160 1.242 -0.638) 2.572 4.016 ( 1.834 1.268 -2.275) 3.185 4.090 ( 15.095 8.494 4.810) 17.976 4.402 ( 10.945 0.568 -5.495) 12.261 5.132 ( -6.102 -0.001 -2.442) 6.572 5.362 ( 7.055 13.072 -11.612) 18.854 5.957 ( -14.036 6.136 -0.302) 15.321 6.044 ( -11.304 -2.417 -7.822) 13.958 6.241 ( -7.910 -7.590 6.776) 12.887 6.463 ( -8.811 -0.456 8.764) 12.435 7.028 ( 1.679 2.515 2.176) 3.725 7.123 ( -4.097 0.786 5.052) 6.551 7.650 ( 1.302 -6.131 25.554) 26.311 7.801 ( 9.865 -4.987 -2.299) 11.290 8.975 ( -13.811 -12.628 13.743) 23.218 9.224 ( -0.976 -9.961 4.845) 11.120 9.429 ( -10.724 14.930 1.847) 18.475 10.206 ( -9.440 2.077 -7.711) 12.365 10.690 ( 3.934 -12.413 -3.829) 13.573 10.943 ( 2.681 18.031 4.165) 18.699 12.019 ( 11.087 0.959 -6.242) 12.759 12.261 ( 10.787 4.752 7.355) 13.894 12.781 ( -4.673 -11.299 2.373) 12.456 13.132 ( -2.509 3.355 1.854) 4.581 13.470 ( -5.387 -4.589 -7.740) 10.487 14.371 ( 14.628 7.176 3.720) 16.713 17.735 ( -9.298 1.852 -15.450) 18.127 18.475 ( 8.855 -0.037 5.222) 10.280 19.233 ( 7.365 6.967 -1.000) 10.187 19.480 ( -15.572 6.470 2.472) 17.043 20.989 ( 4.280 -13.881 -14.925) 20.827 22.950 ( 6.564 14.377 9.035) 18.205 23.318 ( 6.760 -0.613 -6.599) 9.467 23.852 ( 1.776 -4.508 6.461) 8.076 ======================= Grid point 450 (220/432) ======================= q-point: (-0.45 0.55 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.967 ( 13.523 0.000 9.941) 16.784 3.407 ( -15.376 -0.000 0.470) 15.384 3.573 ( 1.961 0.000 6.731) 7.011 3.819 ( 7.898 0.000 10.141) 12.853 4.103 ( -10.087 -0.000 0.871) 10.124 4.131 ( 10.811 0.000 -7.839) 13.354 5.163 ( 9.737 0.000 15.895) 18.641 5.344 ( -7.716 -0.000 17.664) 19.276 5.482 ( 7.849 0.000 -8.955) 11.908 5.858 ( 6.592 0.000 11.312) 13.093 6.366 ( -6.390 -0.000 13.173) 14.642 6.468 ( -3.489 -0.000 12.499) 12.977 6.599 ( 6.250 0.000 12.090) 13.610 6.987 ( -1.295 -0.000 -0.325) 1.335 7.235 ( -11.804 -0.000 -5.326) 12.950 7.768 ( 11.622 0.000 -6.892) 13.512 8.704 ( -18.757 -0.000 14.374) 23.631 9.010 ( -6.722 -0.000 5.844) 8.907 9.375 ( 4.018 0.000 10.726) 11.454 10.423 ( 3.325 0.000 11.751) 12.213 11.342 ( -6.594 -0.000 -21.502) 22.491 11.679 ( 6.328 0.000 -9.995) 11.830 11.813 ( -5.432 -0.000 -0.177) 5.435 12.481 ( 0.244 0.000 -0.828) 0.863 12.603 ( -7.961 -0.000 5.494) 9.673 13.480 ( -17.702 -0.000 -0.671) 17.715 13.595 ( 15.818 0.000 -1.550) 15.894 13.816 ( 2.619 0.000 -10.986) 11.294 17.956 ( 7.372 0.000 13.982) 15.807 18.092 ( 1.452 0.000 -10.670) 10.769 19.359 ( -5.254 -0.000 -12.787) 13.824 19.726 ( 5.795 0.000 -6.075) 8.396 21.534 ( -12.669 -0.000 -3.495) 13.142 22.080 ( 30.403 0.000 6.741) 31.142 23.775 ( -7.401 -0.000 -7.201) 10.326 23.782 ( -8.388 -0.000 -0.282) 8.392 ======================= Grid point 452 (221/432) ======================= q-point: (-0.36 0.55 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.139 ( -18.295 8.016 3.224) 20.233 3.330 ( 20.562 0.045 11.283) 23.455 3.693 ( -1.296 -5.839 4.908) 7.737 3.904 ( -10.660 4.717 1.197) 11.719 4.029 ( 6.880 -1.718 2.413) 7.491 4.217 ( 11.144 -5.572 -8.910) 15.317 5.290 ( 4.809 5.110 -4.955) 8.591 5.478 ( 8.022 -10.052 4.523) 13.633 5.640 ( 4.187 1.183 11.557) 12.349 6.056 ( 3.531 -3.674 3.605) 6.242 6.442 ( -7.569 2.976 22.159) 23.604 6.537 ( -6.255 0.023 8.785) 10.784 6.820 ( 6.524 -1.625 7.563) 10.119 6.925 ( -7.646 -0.651 1.745) 7.870 7.082 ( -6.647 -0.017 3.591) 7.555 7.805 ( 9.543 3.756 -8.084) 13.058 8.655 ( -18.534 -5.563 15.654) 24.890 8.988 ( -7.865 -0.960 7.120) 10.652 9.565 ( 4.276 -0.742 11.334) 12.136 10.533 ( -1.220 3.947 7.050) 8.171 10.974 ( -10.112 1.346 -20.733) 23.107 11.615 ( 0.850 13.286 -3.531) 13.774 11.792 ( 5.581 -5.639 -4.204) 8.979 12.430 ( 1.555 7.114 -5.009) 8.839 12.566 ( -7.945 -5.408 2.874) 10.031 13.279 ( -14.069 -0.393 2.394) 14.277 13.556 ( 1.907 -6.679 -18.645) 19.897 13.971 ( 12.226 2.170 11.180) 16.709 18.072 ( 3.296 1.274 0.380) 3.554 18.138 ( 1.576 -2.723 5.043) 5.944 19.224 ( 2.284 -1.415 -7.568) 8.031 19.727 ( 4.210 -0.478 -5.508) 6.948 21.281 ( -11.834 1.985 -10.617) 16.022 22.528 ( 27.647 1.613 6.654) 28.482 23.595 ( -6.838 2.804 -5.538) 9.235 23.693 ( -6.283 -2.624 -0.292) 6.815 ======================= Grid point 453 (222/432) ======================= q-point: (-0.27 -0.45 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( -24.015 2.546 7.501) 25.287 3.578 ( -24.358 -7.839 2.398) 25.701 3.763 ( 24.955 0.982 5.210) 25.512 3.867 ( 6.157 4.473 4.388) 8.785 4.167 ( 5.812 5.542 5.363) 9.656 4.276 ( 14.035 -5.404 -14.474) 20.873 5.255 ( 3.517 2.782 -6.551) 7.939 5.612 ( 8.485 -2.799 -12.184) 15.109 5.812 ( -3.073 -5.812 16.905) 18.138 6.052 ( -5.231 -3.468 -3.332) 7.106 6.340 ( -15.103 -1.065 -6.323) 16.408 6.639 ( -11.401 8.644 15.570) 21.145 6.913 ( -2.340 -6.107 15.594) 16.910 7.045 ( 3.084 -3.313 11.582) 12.436 7.176 ( 7.375 0.691 12.522) 14.549 7.779 ( 7.675 5.464 -8.089) 12.418 8.674 ( -17.421 -10.786 16.091) 26.052 9.000 ( -7.279 -4.329 8.612) 12.078 9.711 ( 0.169 3.492 8.714) 9.389 10.482 ( -4.544 6.770 -3.655) 8.935 10.632 ( -8.790 -3.661 -14.105) 17.018 11.436 ( -2.874 19.538 0.458) 19.754 11.915 ( 11.854 -3.953 -4.026) 13.128 12.338 ( 2.361 9.387 -1.212) 9.755 12.553 ( -5.236 -9.152 -0.049) 10.544 13.183 ( -7.236 -0.230 4.067) 8.304 13.437 ( -2.714 -9.598 -12.980) 16.370 14.238 ( 13.571 3.406 9.639) 16.991 18.023 ( -6.637 2.903 -5.479) 9.083 18.258 ( 7.086 -3.652 4.866) 9.339 19.255 ( 8.161 1.580 -0.792) 8.350 19.704 ( -2.131 0.215 -2.300) 3.143 20.988 ( -6.481 -0.823 -16.868) 18.089 22.907 ( 24.155 5.514 5.488) 25.377 23.438 ( -4.992 4.087 -3.235) 7.217 23.668 ( -4.157 -5.703 2.477) 7.479 ======================= Grid point 454 (223/432) ======================= q-point: (-0.18 -0.45 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( -26.475 -2.714 11.340) 28.929 3.335 ( -27.889 -14.986 1.225) 31.684 3.920 ( 6.251 5.893 -0.813) 8.629 4.085 ( 6.883 6.101 1.357) 9.298 4.201 ( 15.466 3.656 0.244) 15.894 4.407 ( 15.544 0.755 -2.815) 15.815 5.140 ( -7.810 1.758 -6.140) 10.090 5.533 ( 7.714 5.624 -14.798) 17.610 5.925 ( -13.438 -11.001 1.351) 17.419 5.990 ( -7.694 -3.375 -3.235) 9.003 6.112 ( -7.541 -2.422 3.887) 8.823 6.539 ( -12.166 6.975 11.682) 18.252 7.062 ( 0.749 1.172 6.950) 7.088 7.148 ( -2.282 1.229 3.837) 4.630 7.557 ( 8.170 -4.619 24.162) 25.920 7.768 ( 10.363 1.118 -7.707) 12.963 8.741 ( -17.907 -14.009 17.204) 28.512 9.069 ( -3.762 -8.118 7.009) 11.366 9.667 ( -7.609 12.480 4.161) 15.198 10.201 ( -12.178 -2.187 -15.984) 20.213 10.582 ( 4.869 -1.587 0.070) 5.122 11.254 ( -2.098 18.444 2.024) 18.673 12.021 ( 9.974 -1.251 -6.858) 12.169 12.344 ( 1.678 5.252 8.819) 10.401 12.605 ( 1.810 -9.065 0.166) 9.245 13.169 ( -1.846 1.292 3.569) 4.221 13.347 ( -5.204 -9.445 -7.372) 13.063 14.477 ( 14.393 5.175 6.438) 16.595 17.765 ( -9.699 1.686 -15.966) 18.757 18.469 ( 9.608 -0.498 9.139) 13.270 19.347 ( 9.992 6.458 1.146) 11.953 19.578 ( -13.324 4.679 0.762) 14.142 20.795 ( 3.323 -9.071 -19.371) 21.647 23.164 ( 15.229 9.640 4.578) 18.596 23.323 ( -1.207 2.916 -4.416) 5.428 23.760 ( 0.424 -6.702 9.411) 11.562 ======================= Grid point 455 (224/432) ======================= q-point: (-0.09 -0.45 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( -27.705 -7.054 12.581) 31.235 3.140 ( -26.467 -17.496 0.319) 31.729 3.865 ( -3.766 0.152 -4.442) 5.825 4.062 ( 3.905 8.179 1.578) 9.200 4.386 ( 11.664 6.630 -0.929) 13.449 4.559 ( 8.821 4.685 4.081) 10.790 4.922 ( -15.231 -2.960 -2.939) 15.792 5.426 ( 9.623 9.170 -11.524) 17.592 5.700 ( -15.681 0.746 -5.931) 16.782 5.939 ( -2.464 -2.582 2.178) 4.181 6.129 ( -7.840 -4.094 1.676) 9.003 6.519 ( -6.749 4.975 13.102) 15.555 7.076 ( -1.800 4.683 -0.591) 5.051 7.114 ( -2.316 -0.324 1.428) 2.740 7.775 ( 7.569 -0.953 -3.943) 8.588 7.945 ( 0.352 -4.851 16.202) 16.916 8.811 ( -17.480 -13.076 13.506) 25.669 9.200 ( 3.480 -10.230 2.572) 11.107 9.462 ( -9.976 15.934 4.187) 19.260 9.917 ( -11.008 -4.899 -10.730) 16.134 10.700 ( 6.933 -3.460 0.359) 7.757 11.144 ( 1.507 11.866 2.691) 12.260 12.048 ( 7.654 -1.135 -9.202) 12.023 12.471 ( -4.142 -2.077 16.539) 17.176 12.728 ( 8.145 -4.841 -2.742) 9.864 13.178 ( 1.228 3.544 2.439) 4.474 13.309 ( -3.881 -6.606 0.475) 7.677 14.661 ( 15.245 8.199 1.461) 17.372 17.418 ( -9.835 0.943 -19.003) 21.418 18.710 ( 10.996 2.026 10.478) 15.323 19.311 ( -14.774 7.479 0.946) 16.586 19.452 ( 9.057 6.525 0.366) 11.168 20.758 ( 7.156 -13.628 -17.855) 23.574 23.153 ( -7.564 14.573 5.818) 17.419 23.354 ( 13.777 -3.604 -7.432) 16.064 23.983 ( 4.923 -2.478 15.025) 16.004 ======================= Grid point 463 (225/432) ======================= q-point: (-0.36 -0.36 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( -27.775 -0.000 7.626) 28.803 3.490 ( -27.033 -0.000 0.362) 27.035 3.782 ( 28.636 0.000 7.464) 29.592 3.923 ( 8.083 0.000 3.045) 8.638 4.212 ( 7.300 0.000 -10.571) 12.846 4.228 ( 13.727 0.000 3.133) 14.080 5.296 ( 6.183 0.000 -6.463) 8.944 5.509 ( 1.267 0.000 -5.611) 5.752 5.816 ( 1.281 0.000 8.910) 9.001 6.013 ( -4.067 -0.000 -3.684) 5.487 6.333 ( -14.299 -0.000 -5.926) 15.479 6.770 ( -12.168 -0.000 0.857) 12.198 6.801 ( -3.968 -0.000 34.772) 34.997 7.018 ( 6.155 0.000 7.747) 9.895 7.184 ( 7.486 0.000 11.432) 13.665 7.838 ( 8.866 0.000 -10.073) 13.419 8.572 ( -21.127 -0.000 19.240) 28.575 8.964 ( -8.129 -0.000 8.157) 11.516 9.740 ( 2.460 0.000 10.373) 10.661 10.568 ( -2.387 -0.000 2.216) 3.257 10.574 ( -13.208 -0.000 -21.610) 25.327 11.670 ( -5.585 -0.000 -1.773) 5.860 11.821 ( 14.178 0.000 -2.160) 14.342 12.441 ( 6.297 0.000 -6.938) 9.369 12.457 ( -10.285 -0.000 5.511) 11.668 13.183 ( -7.138 -0.000 4.749) 8.573 13.339 ( -2.097 -0.000 -13.506) 13.668 14.268 ( 12.965 0.000 10.198) 16.495 18.054 ( -7.992 -0.000 -7.435) 10.915 18.221 ( 8.309 0.000 8.192) 11.668 19.269 ( 9.706 0.000 1.040) 9.762 19.702 ( 0.003 0.000 -3.537) 3.537 20.985 ( -7.694 -0.000 -19.042) 20.537 22.954 ( 26.150 0.000 4.320) 26.504 23.491 ( -5.075 -0.000 -0.382) 5.089 23.600 ( -6.628 -0.000 1.374) 6.769 ======================= Grid point 464 (226/432) ======================= q-point: (-0.27 -0.36 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( -29.531 0.865 13.967) 32.679 3.122 ( -31.979 -8.329 -1.065) 33.063 4.039 ( 8.284 7.452 -1.065) 11.194 4.148 ( 0.346 -2.050 -5.236) 5.634 4.221 ( 25.447 1.707 4.301) 25.864 4.432 ( 16.339 1.279 -0.181) 16.390 5.225 ( -6.192 9.503 -7.226) 13.449 5.445 ( 1.575 -14.321 -11.131) 18.206 5.839 ( -7.630 1.846 4.236) 8.920 5.938 ( -5.019 -3.049 -2.011) 6.207 6.098 ( -10.477 -0.312 -3.113) 10.934 6.637 ( -11.721 3.716 8.295) 14.832 7.060 ( -3.412 -0.843 15.934) 16.317 7.156 ( 4.529 0.003 2.659) 5.252 7.507 ( 12.252 -1.382 18.718) 22.414 7.814 ( 7.865 2.841 -9.758) 12.851 8.555 ( -21.841 -6.871 21.550) 31.442 8.973 ( -6.459 -3.100 7.891) 10.658 9.818 ( -3.712 4.961 6.740) 9.155 10.164 ( -12.854 -1.504 -20.376) 24.139 10.586 ( 4.003 0.755 1.106) 4.221 11.509 ( -7.643 10.001 -0.836) 12.615 11.973 ( 10.511 -3.489 -5.737) 12.473 12.426 ( -6.568 3.610 12.220) 14.335 12.503 ( 9.816 -2.990 -2.635) 10.594 13.180 ( -1.852 -0.253 2.815) 3.379 13.202 ( -4.268 -5.616 -6.320) 9.471 14.536 ( 13.799 1.843 7.784) 15.950 17.786 ( -10.056 0.685 -16.723) 19.526 18.462 ( 9.890 -0.264 11.920) 15.491 19.433 ( 10.617 3.176 4.590) 11.995 19.624 ( -9.082 1.004 -0.688) 9.163 20.695 ( 1.417 -2.963 -24.262) 24.483 23.228 ( 19.053 0.463 -10.364) 21.694 23.457 ( -4.174 10.736 9.178) 14.728 23.627 ( -0.811 -9.218 11.676) 14.899 ======================= Grid point 465 (227/432) ======================= q-point: (-0.18 -0.36 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( -30.927 0.661 15.908) 34.785 2.832 ( -30.561 -17.897 3.234) 35.563 3.879 ( -10.646 1.027 -10.129) 14.731 4.201 ( 6.798 7.354 4.404) 10.940 4.483 ( 15.938 5.731 -2.376) 17.103 4.634 ( 13.586 2.551 2.369) 14.025 4.904 ( -19.896 1.418 -3.380) 20.231 5.489 ( 13.664 -2.850 -13.402) 19.351 5.702 ( -16.096 1.381 -0.167) 16.156 5.875 ( -5.258 -4.211 3.647) 7.660 6.048 ( -2.205 -3.711 1.453) 4.554 6.608 ( -7.454 4.327 13.118) 15.696 7.116 ( -3.434 0.052 1.143) 3.620 7.171 ( 1.540 5.553 -1.462) 5.945 7.778 ( 6.616 1.277 -2.100) 7.057 7.865 ( 4.874 -4.406 9.499) 11.550 8.605 ( -19.548 -10.221 20.558) 30.153 9.038 ( -0.897 -7.937 4.754) 9.295 9.706 ( -8.622 11.368 0.654) 14.282 9.844 ( -9.024 -2.756 -12.089) 15.335 10.683 ( 8.569 0.233 0.879) 8.617 11.329 ( -6.476 8.744 0.180) 10.882 12.017 ( 7.418 -2.454 -9.573) 12.356 12.477 ( -8.862 4.005 18.500) 20.900 12.672 ( 13.712 -2.567 -1.745) 14.059 13.148 ( -5.297 -10.023 -0.389) 11.344 13.232 ( 2.435 1.336 3.889) 4.780 14.766 ( 15.051 4.287 3.828) 16.111 17.431 ( -10.043 0.632 -20.254) 22.616 18.735 ( 11.041 0.905 11.986) 16.321 19.413 ( -17.671 4.247 -1.101) 18.207 19.570 ( 10.030 7.057 3.447) 12.739 20.557 ( 9.421 -9.758 -21.824) 25.696 23.279 ( 8.660 -1.364 -10.113) 13.384 23.394 ( -3.364 9.653 5.204) 11.471 23.932 ( 7.252 -3.334 19.636) 21.196 ======================= Grid point 466 (228/432) ======================= q-point: (-0.09 -0.36 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( -31.230 -5.469 15.233) 35.175 2.642 ( -29.061 -15.756 0.474) 33.061 3.627 ( -20.740 -10.490 0.419) 23.246 4.256 ( 5.329 11.415 3.126) 12.979 4.476 ( -5.444 7.211 1.692) 9.193 4.630 ( -6.762 5.432 2.323) 8.980 4.845 ( 7.031 -1.131 0.639) 7.150 5.462 ( -15.025 2.890 -0.666) 15.315 5.551 ( 16.828 5.107 -8.539) 19.549 5.929 ( -2.998 -4.298 5.642) 7.700 6.079 ( 2.278 -0.028 1.031) 2.500 6.614 ( -6.682 6.427 8.828) 12.802 6.997 ( -5.459 1.473 -7.989) 9.788 7.133 ( -1.338 3.649 1.994) 4.368 7.821 ( 8.275 0.488 -4.728) 9.543 7.985 ( -10.251 -5.713 9.426) 15.052 8.640 ( -14.643 -8.961 9.007) 19.387 9.205 ( 7.874 -10.958 1.202) 13.547 9.513 ( -8.063 10.746 3.796) 13.961 9.684 ( -5.114 -2.809 -4.043) 7.099 10.776 ( 5.307 2.806 -0.891) 6.069 11.222 ( -2.199 3.018 0.850) 3.829 12.007 ( 5.896 -1.768 -10.196) 11.910 12.526 ( -12.182 0.256 16.005) 20.115 12.772 ( 5.547 0.535 -5.242) 7.651 13.256 ( 4.229 -5.871 5.663) 9.188 13.312 ( 3.551 -2.028 5.049) 6.498 14.928 ( 15.737 8.101 -2.075) 17.821 17.106 ( -8.049 -0.441 -13.003) 15.299 18.980 ( 8.211 2.571 5.475) 10.199 19.151 ( -11.991 1.201 1.902) 12.201 19.661 ( 10.377 8.000 0.795) 13.127 20.554 ( 8.310 -11.409 -16.707) 21.871 23.193 ( -7.443 12.252 1.522) 14.416 23.405 ( 8.480 -3.098 -4.470) 10.074 24.260 ( 7.004 1.133 18.569) 19.878 ======================= Grid point 475 (229/432) ======================= q-point: (-0.27 -0.27 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -29.792 -0.000 21.480) 36.728 2.633 ( -34.625 -0.000 -0.572) 34.630 3.889 ( -13.655 -0.000 -12.318) 18.390 4.268 ( 9.071 0.000 5.691) 10.708 4.575 ( 19.849 0.000 -0.116) 19.849 4.608 ( 12.828 0.000 -2.645) 13.098 4.945 ( -25.373 -0.000 -3.269) 25.583 5.425 ( 16.701 0.000 -7.106) 18.150 5.724 ( -13.625 -0.000 -0.334) 13.629 5.837 ( -7.867 -0.000 1.582) 8.024 6.018 ( 0.315 0.000 0.989) 1.037 6.645 ( -7.549 -0.000 11.957) 14.140 7.115 ( -3.599 -0.000 2.072) 4.153 7.223 ( 4.943 0.000 -2.495) 5.537 7.805 ( 2.619 0.000 14.118) 14.359 7.814 ( 7.506 0.000 -8.729) 11.512 8.512 ( -19.983 -0.000 23.892) 31.148 8.968 ( -3.319 -0.000 5.348) 6.295 9.788 ( -9.149 -0.000 -17.467) 19.718 9.841 ( -6.497 -0.000 5.037) 8.221 10.687 ( 8.812 0.000 0.589) 8.832 11.403 ( -11.000 -0.000 -0.724) 11.024 11.991 ( 7.984 0.000 -9.480) 12.394 12.558 ( -5.077 -0.000 20.642) 21.258 12.629 ( 11.445 0.000 -0.215) 11.447 13.036 ( -5.790 -0.000 -2.856) 6.456 13.245 ( 2.729 0.000 3.885) 4.747 14.802 ( 14.911 0.000 4.671) 15.625 17.437 ( -10.108 -0.000 -20.701) 23.037 18.742 ( 10.876 0.000 12.655) 16.686 19.448 ( -16.917 -0.000 -1.959) 17.030 19.640 ( 8.567 0.000 6.113) 10.524 20.468 ( 10.549 0.000 -25.068) 27.197 23.262 ( 11.455 0.000 -12.098) 16.660 23.489 ( -7.734 -0.000 4.792) 9.098 23.896 ( 9.486 0.000 22.737) 24.637 ======================= Grid point 476 (230/432) ======================= q-point: (-0.18 -0.27 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( -33.769 1.753 8.504) 34.867 2.396 ( -30.104 -11.323 14.220) 35.166 3.514 ( -28.160 -3.288 -3.729) 28.595 4.417 ( 6.857 6.318 5.161) 10.657 4.577 ( -10.946 4.651 1.935) 12.050 4.710 ( -0.689 2.296 -2.811) 3.694 4.794 ( 9.171 -3.229 0.553) 9.739 5.493 ( -15.758 1.453 2.265) 15.986 5.627 ( 20.752 3.003 -7.808) 22.375 5.828 ( -2.584 -5.662 6.530) 9.021 6.076 ( 3.649 -0.035 2.702) 4.540 6.684 ( -6.667 1.986 10.487) 12.585 7.012 ( -5.306 0.414 -9.729) 11.089 7.225 ( 3.524 4.849 -2.435) 6.470 7.831 ( 8.662 0.647 -4.985) 10.015 7.884 ( -12.672 -4.881 9.839) 16.770 8.529 ( -15.854 -3.567 13.563) 21.167 9.048 ( 6.452 -5.783 2.303) 8.965 9.552 ( -4.370 -1.016 -8.707) 9.795 9.773 ( -7.431 6.323 3.766) 10.459 10.805 ( 9.430 0.688 -1.087) 9.518 11.258 ( -9.726 0.846 0.430) 9.773 11.980 ( 7.038 -1.184 -9.755) 12.087 12.643 ( -5.215 12.130 12.840) 18.417 12.772 ( 4.335 -1.389 0.662) 4.600 13.040 ( -2.293 -13.719 6.594) 15.393 13.334 ( 4.721 1.129 3.342) 5.894 15.019 ( 15.769 2.773 -0.041) 16.012 17.101 ( -8.309 -0.144 -14.009) 16.289 19.007 ( 10.168 0.755 6.246) 11.957 19.171 ( -16.939 0.812 -1.532) 17.028 19.777 ( 6.497 4.687 4.347) 9.115 20.400 ( 12.708 -5.865 -19.181) 23.745 23.287 ( 10.203 0.296 -8.665) 13.389 23.428 ( -7.508 3.711 5.426) 9.979 24.270 ( 9.014 0.221 20.235) 22.153 ======================= Grid point 477 (231/432) ======================= q-point: (-0.09 -0.27 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( -30.471 -8.523 13.665) 34.466 2.124 ( -35.095 -7.502 -3.330) 36.042 3.293 ( -32.270 -13.483 25.541) 43.306 4.335 ( -8.048 9.422 -0.748) 12.414 4.543 ( 0.480 4.377 1.583) 4.679 4.640 ( -0.243 6.808 0.873) 6.868 4.952 ( 2.857 -0.250 8.196) 8.683 5.308 ( -10.542 -0.312 2.482) 10.835 5.771 ( 17.088 8.192 -3.683) 19.305 5.971 ( 5.582 -1.352 4.575) 7.343 6.160 ( 3.853 -0.107 3.696) 5.340 6.627 ( -7.999 6.490 -1.968) 10.487 6.785 ( -5.509 -3.246 -13.133) 14.607 7.188 ( -2.869 8.223 4.151) 9.648 7.849 ( -14.165 -6.527 8.210) 17.626 7.908 ( 5.770 1.259 1.673) 6.138 8.474 ( -8.333 -7.070 -0.994) 10.973 9.254 ( 11.212 -8.689 0.018) 14.184 9.477 ( -2.414 -3.599 -1.202) 4.497 9.659 ( -6.020 7.945 4.402) 10.897 10.850 ( 1.813 7.159 -2.522) 7.804 11.169 ( -4.562 -4.846 -0.361) 6.666 11.965 ( 5.972 0.562 -8.920) 10.749 12.533 ( -12.054 9.417 5.056) 16.110 12.781 ( -1.402 1.766 1.455) 2.684 13.275 ( 4.533 -19.230 1.924) 19.851 13.393 ( 3.334 2.763 -1.024) 4.450 15.145 ( 14.911 6.963 -6.236) 17.599 17.004 ( 0.802 0.274 9.117) 9.157 18.852 ( -9.973 -2.193 -9.978) 14.277 19.298 ( 9.027 -0.089 10.780) 14.061 19.842 ( 6.744 5.664 0.610) 8.828 20.409 ( 8.396 -6.967 -14.296) 17.984 23.230 ( -6.714 13.716 2.473) 15.470 23.431 ( 7.059 -3.680 -3.045) 8.523 24.548 ( 5.310 2.738 12.260) 13.638 ======================= Grid point 487 (232/432) ======================= q-point: (-0.18 -0.18 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -31.492 -0.000 9.208) 32.810 2.059 ( -35.869 -0.000 1.521) 35.901 3.181 ( -35.896 -0.000 27.605) 45.283 4.431 ( -14.994 -0.000 3.079) 15.307 4.567 ( 6.686 0.000 -4.177) 7.883 4.705 ( 1.369 0.000 -1.680) 2.167 4.939 ( 6.401 0.000 11.803) 13.427 5.311 ( -15.642 -0.000 2.593) 15.856 5.881 ( 23.084 0.000 -6.298) 23.928 5.911 ( 5.855 0.000 9.539) 11.193 6.158 ( 2.399 0.000 4.307) 4.931 6.692 ( -5.827 -0.000 3.982) 7.058 6.745 ( -9.271 -0.000 -20.897) 22.861 7.292 ( 5.037 0.000 -0.452) 5.057 7.761 ( -21.635 -0.000 14.851) 26.242 7.924 ( 10.824 0.000 -0.825) 10.856 8.409 ( -11.297 -0.000 -0.561) 11.310 9.165 ( 11.904 0.000 0.486) 11.914 9.447 ( -2.187 -0.000 -2.695) 3.470 9.746 ( -7.289 -0.000 3.431) 8.056 10.906 ( 9.044 0.000 -3.045) 9.543 11.124 ( -12.441 -0.000 0.596) 12.455 11.969 ( 7.534 0.000 -8.074) 11.043 12.707 ( -0.312 -0.000 -5.256) 5.265 12.832 ( -7.749 -0.000 6.494) 10.110 12.986 ( -2.351 -0.000 4.876) 5.413 13.418 ( 3.697 0.000 -0.394) 3.718 15.204 ( 15.011 0.000 -5.345) 15.934 17.006 ( 1.719 0.000 10.636) 10.774 18.833 ( -12.468 -0.000 -11.844) 17.197 19.297 ( 9.069 0.000 11.040) 14.288 19.898 ( 2.446 0.000 3.014) 3.882 20.343 ( 12.267 0.000 -15.891) 20.075 23.350 ( 13.023 0.000 -7.641) 15.099 23.403 ( -10.121 -0.000 7.789) 12.772 24.572 ( 7.004 0.000 11.453) 13.425 ======================= Grid point 488 (233/432) ======================= q-point: (-0.09 -0.18 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -37.073 -4.157 -0.398) 37.307 1.643 ( -26.127 -8.076 16.912) 32.153 3.209 ( -36.245 -5.975 49.050) 61.281 4.255 ( -8.750 4.020 -1.909) 9.816 4.502 ( -2.360 2.448 -6.903) 7.695 4.720 ( 3.879 1.073 -3.997) 5.672 5.114 ( -5.186 11.013 13.935) 18.503 5.281 ( -0.144 -8.640 14.277) 16.689 5.979 ( 9.595 8.793 -9.346) 16.023 6.114 ( 7.998 -0.271 0.812) 8.044 6.272 ( 1.781 -0.149 7.812) 8.014 6.344 ( -5.998 -0.880 -19.164) 20.100 6.690 ( 3.177 -1.853 0.274) 3.688 7.281 ( -2.297 11.876 2.317) 12.316 7.718 ( -18.629 -7.409 17.483) 26.600 8.056 ( 5.165 6.991 3.482) 9.363 8.274 ( -1.367 -10.430 -9.365) 14.084 9.330 ( 8.380 -6.077 -3.064) 10.795 9.426 ( 1.477 0.024 1.473) 2.086 9.692 ( -4.113 2.281 4.778) 6.704 10.836 ( -14.547 11.933 -4.488) 19.343 11.041 ( 1.375 -11.272 -3.199) 11.798 11.971 ( 6.582 2.170 -7.288) 10.058 12.494 ( -12.052 16.178 -2.395) 20.315 12.744 ( -5.832 -6.291 -2.797) 9.023 13.083 ( -1.683 -17.316 -3.105) 17.673 13.425 ( 2.466 1.317 -2.469) 3.729 15.268 ( 12.075 3.991 -11.559) 17.185 17.427 ( 22.634 5.013 33.543) 40.775 18.587 ( -5.830 -5.585 -11.469) 14.025 19.523 ( 6.813 1.380 9.273) 11.589 19.923 ( 1.311 0.107 -0.861) 1.572 20.328 ( 10.054 -1.860 -14.131) 17.442 23.297 ( -9.100 13.469 6.351) 17.452 23.468 ( 10.302 -4.163 -4.137) 11.856 24.636 ( -4.004 0.981 -5.651) 6.995 ======================= Grid point 499 (234/432) ======================= q-point: (-0.09 -0.09 0.23) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -12.754 -0.000 24.690) 27.789 1.541 ( -19.557 -0.000 23.933) 30.907 3.271 ( -40.264 -0.000 49.298) 63.651 4.212 ( 1.483 0.000 3.491) 3.793 4.384 ( -7.987 -0.000 -4.332) 9.086 4.696 ( 9.867 0.000 -12.670) 16.059 5.239 ( -5.293 -0.000 13.490) 14.491 5.475 ( -2.782 -0.000 18.955) 19.158 5.882 ( -12.460 -0.000 -12.481) 17.636 5.932 ( -1.618 -0.000 -14.475) 14.566 6.182 ( 1.878 0.000 -1.162) 2.209 6.648 ( 21.728 0.000 11.459) 24.565 6.782 ( 9.721 0.000 0.804) 9.754 7.325 ( -0.670 -0.000 -3.563) 3.625 7.663 ( -21.370 -0.000 25.773) 33.480 7.940 ( -9.306 -0.000 -18.531) 20.737 8.324 ( 8.112 0.000 11.740) 14.270 9.266 ( -1.031 -0.000 -7.371) 7.443 9.590 ( 11.588 0.000 6.045) 13.070 9.705 ( -1.412 -0.000 4.110) 4.346 10.502 ( -31.004 -0.000 -5.641) 31.513 11.003 ( 5.399 0.000 -5.039) 7.386 11.966 ( 3.983 0.000 -8.395) 9.292 12.426 ( -12.122 -0.000 1.112) 12.173 12.512 ( -3.959 -0.000 -5.374) 6.675 13.022 ( 0.305 0.000 2.083) 2.105 13.428 ( 1.801 0.000 -2.674) 3.224 15.249 ( 7.659 0.000 -17.133) 18.766 18.290 ( 41.541 0.000 30.062) 51.278 18.370 ( -1.740 -0.000 -11.123) 11.258 19.683 ( -1.272 -0.000 7.700) 7.805 19.849 ( -4.328 -0.000 -6.934) 8.174 20.338 ( 16.537 0.000 -11.320) 20.040 23.325 ( -10.194 -0.000 8.468) 13.252 23.540 ( 11.485 0.000 -5.158) 12.590 24.266 ( -28.063 -0.000 -21.312) 35.239 ======================= Grid point 500 (235/432) ======================= q-point: ( 0.00 0.00 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( -2.771 -0.000 31.202) 31.325 2.612 ( 5.284 0.000 20.358) 21.032 3.923 ( -3.918 -0.000 -6.604) 7.679 4.110 ( 7.229 0.000 15.313) 16.934 4.493 ( 11.272 0.000 -13.304) 17.437 4.782 ( 0.056 0.000 -6.348) 6.348 4.906 ( -10.055 -0.000 -5.028) 11.242 5.074 ( -10.600 -0.000 -13.721) 17.338 5.884 ( 5.220 0.000 16.625) 17.425 6.057 ( -5.326 -0.000 9.467) 10.862 6.577 ( -8.112 -0.000 17.668) 19.441 6.745 ( -3.898 -0.000 -6.762) 7.805 7.175 ( -4.232 -0.000 -5.846) 7.217 7.246 ( 2.258 0.000 0.937) 2.445 7.480 ( 1.721 0.000 15.098) 15.196 8.578 ( -13.614 -0.000 33.286) 35.962 9.022 ( -3.849 -0.000 9.827) 10.554 9.070 ( 7.521 0.000 4.947) 9.002 9.679 ( -15.780 -0.000 6.397) 17.027 9.696 ( -0.910 -0.000 -5.697) 5.770 10.593 ( 17.600 0.000 12.846) 21.790 10.710 ( 0.476 0.000 -12.815) 12.824 11.513 ( 5.773 0.000 -14.166) 15.297 12.092 ( -8.569 -0.000 -9.574) 12.849 12.755 ( 0.111 0.000 10.995) 10.996 13.158 ( 10.825 0.000 -2.809) 11.183 13.323 ( -2.018 -0.000 -0.704) 2.137 14.455 ( -0.256 -0.000 -18.172) 18.174 18.059 ( 10.278 0.000 -8.900) 13.596 18.880 ( -14.711 -0.000 -21.773) 26.277 19.461 ( -17.474 -0.000 2.799) 17.697 19.612 ( 15.318 0.000 2.449) 15.513 21.022 ( 29.766 0.000 9.478) 31.238 22.603 ( -32.437 -0.000 -12.229) 34.666 23.338 ( -9.232 -0.000 3.382) 9.832 23.623 ( 10.097 0.000 -4.737) 11.153 ======================= Grid point 501 (236/432) ======================= q-point: ( 0.09 0.00 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( 0.222 1.750 25.548) 25.609 2.933 ( 8.078 -4.784 19.223) 21.393 3.830 ( 1.594 2.763 -4.453) 5.477 4.341 ( 8.198 6.284 -8.588) 13.433 4.463 ( 4.901 -1.019 -0.601) 5.042 4.503 ( -8.041 -0.111 -9.813) 12.688 4.811 ( -9.296 -5.203 -11.228) 15.477 4.872 ( -1.510 -3.016 -5.306) 6.288 6.083 ( 0.768 6.952 16.280) 17.718 6.215 ( 1.179 -8.160 14.743) 16.892 6.598 ( -7.724 0.172 -3.663) 8.550 6.621 ( -7.093 -1.309 4.203) 8.348 7.027 ( -7.533 0.985 -3.108) 8.209 7.261 ( -2.265 0.247 1.407) 2.678 7.691 ( -1.332 5.311 25.653) 26.231 8.645 ( -11.856 24.399 16.959) 31.992 9.008 ( -6.547 -7.440 9.082) 13.443 9.351 ( 5.338 -15.910 2.968) 17.042 9.606 ( -4.760 3.935 10.203) 11.926 9.674 ( -1.476 -4.206 3.525) 5.683 10.521 ( 0.907 6.396 -9.406) 11.411 11.041 ( 17.201 -10.459 10.518) 22.714 11.431 ( 5.237 0.048 -14.877) 15.772 11.868 ( -1.494 4.368 -11.714) 12.591 12.883 ( -0.444 -6.019 6.366) 8.773 13.270 ( 7.482 -0.060 -1.994) 7.743 13.301 ( 0.737 -1.476 0.321) 1.680 14.244 ( -1.751 3.011 -13.754) 14.188 18.111 ( 11.763 0.876 -6.695) 13.563 18.430 ( -14.158 2.141 -20.412) 24.933 19.291 ( -16.133 -1.489 4.129) 16.720 19.738 ( 1.644 0.354 1.093) 2.006 21.514 ( 24.996 2.957 13.147) 28.397 22.095 ( -19.145 0.562 -13.789) 23.601 23.278 ( -6.927 -3.366 1.143) 7.785 23.703 ( 9.069 -0.505 -3.339) 9.677 ======================= Grid point 502 (237/432) ======================= q-point: ( 0.18 0.00 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( 0.488 3.699 17.560) 17.953 3.305 ( 12.198 -6.392 13.403) 19.217 3.817 ( 3.683 4.364 1.357) 5.869 4.092 ( -4.469 2.091 -15.942) 16.688 4.297 ( -2.140 7.585 -9.169) 12.091 4.525 ( -8.978 2.141 -1.170) 9.303 4.801 ( 1.964 -9.218 -2.634) 9.786 4.814 ( 6.331 -11.570 -5.918) 14.456 6.174 ( -8.498 3.375 12.949) 15.852 6.425 ( -11.677 -5.518 5.489) 14.033 6.446 ( -2.436 1.322 3.262) 4.280 6.550 ( -3.253 -3.444 -3.824) 6.088 6.937 ( -1.992 0.295 -0.403) 2.054 7.228 ( -3.754 -0.001 1.191) 3.938 7.939 ( -2.308 10.033 31.426) 33.069 8.336 ( -11.662 24.309 -1.031) 26.981 9.152 ( -10.419 -12.933 14.678) 22.165 9.402 ( -3.650 -2.544 -1.675) 4.754 9.605 ( -3.133 2.626 2.136) 4.612 9.952 ( 10.513 -5.124 18.040) 21.499 10.421 ( -0.905 -5.188 -6.364) 8.261 11.220 ( -1.479 7.370 -11.816) 14.005 11.492 ( 18.842 -6.283 6.622) 20.936 11.781 ( 12.585 2.917 -10.236) 16.482 12.972 ( -1.659 -9.388 0.024) 9.534 13.258 ( -5.353 4.847 6.357) 9.621 13.401 ( 7.844 -6.639 -5.382) 11.600 14.068 ( 0.892 3.838 -9.361) 10.157 18.011 ( -11.169 1.334 -16.001) 19.559 18.229 ( 10.484 -1.258 -3.334) 11.073 19.160 ( -11.579 -0.145 3.536) 12.108 19.698 ( -10.060 -1.320 2.030) 10.347 21.549 ( -7.235 14.030 -10.496) 18.956 22.140 ( 19.723 -10.051 8.737) 23.799 23.240 ( -3.302 -2.937 -0.690) 4.472 23.789 ( 7.910 -0.180 -1.315) 8.021 ======================= Grid point 503 (238/432) ======================= q-point: (-0.73 0.00 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.151 ( -7.829 4.337 6.216) 10.896 3.647 ( 13.395 -5.020 7.018) 15.934 3.844 ( -5.231 -2.555 -7.910) 9.821 3.901 ( 5.184 5.482 -0.923) 7.601 4.150 ( -3.524 7.222 1.319) 8.144 4.370 ( -5.809 2.249 -0.007) 6.229 4.794 ( 6.378 -13.797 -14.676) 21.129 5.059 ( 6.271 -8.688 6.635) 12.603 6.059 ( -23.638 -2.736 2.996) 23.983 6.205 ( -10.463 3.109 -2.973) 11.313 6.489 ( -10.883 -1.186 4.362) 11.784 6.537 ( -1.820 -3.206 1.619) 4.026 6.952 ( 3.846 0.333 0.396) 3.881 7.214 ( -0.932 -0.804 0.904) 1.527 7.940 ( -6.721 16.954 -4.745) 18.845 8.216 ( -2.144 11.923 26.552) 29.185 9.212 ( -15.604 -13.507 5.361) 21.323 9.384 ( -0.130 5.659 6.489) 8.611 9.541 ( -7.804 1.474 2.813) 8.425 10.187 ( -3.694 -1.615 1.338) 4.248 10.518 ( 7.200 -13.590 7.197) 16.980 11.004 ( 5.383 16.181 -9.209) 19.381 11.747 ( 16.519 1.208 -8.831) 18.771 11.977 ( 19.770 -3.944 7.000) 21.340 13.000 ( -2.098 -8.380 -3.124) 9.186 13.207 ( -8.156 7.483 9.071) 14.311 13.436 ( -0.890 -5.841 -6.479) 8.769 14.038 ( 9.615 -2.809 -6.209) 11.785 17.693 ( -11.094 -1.433 -14.670) 18.448 18.385 ( 10.187 -1.045 5.022) 11.406 19.087 ( -3.610 -0.533 1.128) 3.819 19.576 ( -16.217 -4.404 3.222) 17.111 21.209 ( -1.690 13.241 -16.987) 21.604 22.586 ( 14.085 -9.661 12.983) 21.454 23.227 ( 2.536 -0.104 -2.547) 3.596 23.886 ( 6.695 -0.009 2.054) 7.003 ======================= Grid point 504 (239/432) ======================= q-point: (-0.64 0.00 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.021 ( -16.343 2.806 6.269) 17.728 3.539 ( -14.563 -2.320 -14.230) 20.492 3.903 ( 2.388 0.059 -1.067) 2.616 3.961 ( 7.061 6.920 4.110) 10.707 4.140 ( 7.519 0.854 6.924) 10.257 4.415 ( 2.665 -2.617 7.549) 8.422 4.856 ( 8.568 -14.856 -13.405) 21.767 5.222 ( 0.146 0.315 6.222) 6.231 5.741 ( -26.086 -5.788 -3.257) 26.918 6.072 ( -5.795 3.361 1.962) 6.980 6.326 ( -16.953 -1.406 -0.132) 17.012 6.550 ( -6.173 -5.492 2.886) 8.752 7.002 ( 4.095 0.595 -1.592) 4.434 7.217 ( -0.602 1.802 1.298) 2.301 7.718 ( 2.219 8.427 -8.406) 12.108 8.357 ( -3.223 11.997 19.213) 22.879 9.140 ( -14.396 -9.223 0.577) 17.107 9.405 ( -4.856 7.379 9.198) 12.752 9.469 ( -8.249 -2.031 5.115) 9.916 10.039 ( -13.248 -3.999 -5.474) 14.882 10.822 ( 8.942 -0.855 2.921) 9.446 10.911 ( 10.987 11.577 2.284) 16.123 11.815 ( 15.352 0.714 -13.035) 20.152 12.350 ( 18.671 -2.253 6.644) 19.945 13.006 ( -1.468 -2.106 0.078) 2.568 13.144 ( -8.756 4.496 10.060) 14.074 13.367 ( -3.565 -3.613 -4.482) 6.771 14.187 ( 13.615 -11.014 -6.384) 18.639 17.403 ( -11.004 -0.142 -11.961) 16.254 18.618 ( 9.410 -1.565 10.970) 14.538 19.111 ( 4.540 -4.367 -1.795) 6.550 19.439 ( -16.110 -5.370 2.960) 17.237 20.908 ( 2.960 13.451 -17.630) 22.372 22.899 ( -2.105 -13.674 8.697) 16.341 23.267 ( 13.355 6.718 -2.582) 15.171 24.027 ( 6.454 -1.343 7.717) 10.149 ======================= Grid point 505 (240/432) ======================= q-point: (-0.55 0.00 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( -22.269 3.517 12.481) 25.769 3.147 ( -22.144 1.492 -12.904) 25.673 3.885 ( 5.492 -0.275 -6.232) 8.311 4.055 ( 3.696 4.942 10.205) 11.926 4.354 ( 3.764 -4.363 7.211) 9.231 4.588 ( 5.741 -6.513 5.026) 10.032 4.891 ( -2.872 -6.986 -7.548) 10.678 5.195 ( -0.412 7.051 3.031) 7.686 5.504 ( -15.598 -10.041 -2.422) 18.708 6.055 ( -0.133 0.704 4.960) 5.011 6.118 ( -15.630 -2.952 -1.106) 15.944 6.539 ( -8.618 -8.712 1.683) 12.369 6.978 ( -0.603 1.452 -6.063) 6.263 7.209 ( 0.397 4.220 3.087) 5.244 7.664 ( 8.661 2.192 -6.893) 11.284 8.345 ( -7.500 10.513 7.101) 14.738 9.013 ( -16.021 -5.213 1.456) 16.910 9.345 ( -8.093 5.416 7.356) 12.204 9.492 ( -5.038 -3.515 7.701) 9.851 9.869 ( -6.986 0.451 -2.554) 7.452 10.774 ( 3.863 11.195 -4.361) 12.620 11.134 ( 8.981 -0.693 7.326) 11.611 11.830 ( 13.023 2.036 -14.722) 19.760 12.593 ( 10.590 -2.317 -1.391) 10.930 12.951 ( -9.611 6.619 7.441) 13.840 13.178 ( -1.125 -2.122 4.824) 5.389 13.373 ( 4.020 -2.917 2.944) 5.774 14.392 ( 13.686 -14.655 -8.060) 21.611 17.161 ( -9.089 1.516 -4.958) 10.464 18.870 ( 8.873 -0.987 7.390) 11.589 19.192 ( -0.112 -6.832 -1.336) 6.962 19.359 ( -1.678 -4.102 1.143) 4.577 20.665 ( 4.223 12.072 -14.269) 19.162 22.971 ( -10.377 -14.667 0.866) 17.987 23.375 ( 14.373 9.416 -0.839) 17.203 24.257 ( 6.898 -3.558 12.897) 15.052 ======================= Grid point 506 (241/432) ======================= q-point: (-0.45 0.00 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( -24.953 6.079 0.104) 25.683 2.677 ( -27.513 7.388 6.860) 29.302 3.909 ( 6.636 0.142 -4.061) 7.781 4.194 ( 1.658 3.814 11.601) 12.324 4.473 ( -3.759 -7.217 7.970) 11.390 4.596 ( -18.494 -6.244 1.398) 19.569 4.902 ( 4.162 -3.688 6.367) 8.453 5.281 ( 13.638 -4.788 -5.959) 15.634 5.401 ( -7.966 -4.608 2.110) 9.442 5.969 ( -9.722 -4.751 -0.976) 10.864 6.151 ( 3.287 -0.864 6.372) 7.222 6.500 ( -9.358 -8.649 -1.685) 12.853 6.838 ( -2.872 3.866 -8.832) 10.060 7.222 ( -0.922 2.616 3.600) 4.544 7.724 ( 10.032 -1.265 -3.757) 10.787 8.181 ( -11.411 5.827 0.117) 12.813 8.857 ( -16.032 2.939 6.406) 17.512 9.301 ( -6.254 -0.635 4.965) 8.010 9.555 ( -3.670 -3.141 7.525) 8.942 9.785 ( 1.324 7.964 -0.747) 8.107 10.688 ( -2.025 0.985 -3.301) 3.996 11.272 ( 5.608 4.486 2.985) 7.777 11.788 ( 10.879 3.065 -15.353) 19.064 12.641 ( -0.350 -0.999 -3.789) 3.934 12.871 ( -9.605 4.355 10.107) 14.607 13.218 ( 0.570 -5.695 -2.404) 6.208 13.510 ( 7.841 5.183 3.381) 9.988 14.596 ( 13.547 -15.518 -9.377) 22.633 17.080 ( -3.090 -0.105 7.911) 8.494 18.902 ( -1.443 2.130 -9.591) 9.930 19.279 ( 4.896 -1.923 8.296) 9.823 19.487 ( 11.527 -6.736 -2.528) 13.588 20.491 ( 2.280 9.166 -8.369) 12.620 22.954 ( -10.097 -15.856 -1.339) 18.845 23.443 ( 9.449 8.407 -0.994) 12.687 24.515 ( 4.446 -3.996 11.649) 13.094 ======================= Grid point 507 (242/432) ======================= q-point: (-0.36 0.00 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( -27.795 9.349 -0.809) 29.337 2.444 ( -23.807 14.175 17.076) 32.547 3.966 ( 7.029 -1.266 -1.821) 7.371 4.239 ( -18.850 6.261 23.438) 30.723 4.435 ( -11.361 -7.412 -1.806) 13.685 4.593 ( -0.922 -7.445 1.943) 7.749 5.034 ( -7.507 -12.309 8.692) 16.835 5.431 ( 12.632 -5.948 -0.157) 13.963 5.485 ( 8.515 -2.153 0.278) 8.788 5.938 ( -1.790 -7.169 0.427) 7.401 6.255 ( 1.323 -2.140 -0.389) 2.546 6.389 ( -6.806 0.602 -1.547) 7.005 6.700 ( 0.603 2.754 -4.833) 5.595 7.208 ( -5.320 -0.874 2.279) 5.853 7.835 ( 6.028 -5.667 -2.884) 8.761 8.019 ( -8.506 0.307 1.743) 8.688 8.710 ( -13.436 11.196 12.424) 21.453 9.309 ( -4.498 -5.415 4.453) 8.330 9.571 ( -1.688 5.857 0.263) 6.101 9.762 ( 4.669 6.925 2.839) 8.821 10.625 ( -9.180 -9.324 -2.574) 13.336 11.281 ( 4.576 10.877 -1.137) 11.855 11.735 ( 9.612 0.539 -13.401) 16.500 12.543 ( -8.509 2.218 -0.313) 8.799 12.860 ( -5.756 0.656 7.243) 9.275 13.210 ( 0.528 -4.396 -9.214) 10.223 13.520 ( 3.573 12.032 -0.283) 12.554 14.768 ( 12.402 -13.726 -12.396) 22.268 17.299 ( 6.875 -7.028 20.832) 23.036 18.703 ( 0.772 7.541 -13.879) 15.814 19.442 ( 3.413 -3.801 3.895) 6.424 19.677 ( 17.091 -3.611 -3.983) 17.917 20.364 ( -1.490 7.254 -3.932) 8.384 22.964 ( -9.256 -19.534 -0.167) 21.617 23.470 ( 6.990 6.702 -1.372) 9.781 24.652 ( -2.190 -1.425 3.648) 4.487 ======================= Grid point 508 (243/432) ======================= q-point: (-0.27 0.00 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -16.253 11.713 15.565) 25.370 2.241 ( -18.829 16.335 19.624) 31.725 4.029 ( -2.743 -8.266 -5.103) 10.094 4.197 ( -24.169 2.180 30.088) 38.655 4.374 ( -2.733 -0.273 1.658) 3.209 4.565 ( -0.818 -0.593 -8.712) 8.770 5.189 ( -6.388 -16.531 12.121) 21.471 5.516 ( 3.786 -7.517 -14.112) 16.431 5.709 ( 4.890 -1.331 18.184) 18.877 6.011 ( 1.173 -3.440 -8.504) 9.248 6.139 ( 4.173 6.080 -1.942) 7.626 6.451 ( 4.761 -3.688 7.600) 9.697 6.718 ( 6.054 0.698 1.005) 6.177 7.164 ( -7.068 -5.397 0.745) 8.924 7.800 ( -3.434 -4.101 -11.004) 12.235 8.063 ( -4.539 -6.763 10.794) 13.523 8.635 ( -8.814 14.516 20.239) 26.420 9.372 ( 0.581 -1.548 1.511) 2.240 9.445 ( -3.358 5.338 -1.324) 6.444 9.839 ( 5.919 3.756 4.714) 8.448 10.505 ( -18.270 -11.498 -3.708) 21.903 11.197 ( 5.664 16.415 -4.698) 17.989 11.733 ( 8.563 -3.570 -10.498) 14.010 12.410 ( -9.649 1.359 1.229) 9.821 12.830 ( -5.809 4.799 2.569) 7.960 13.102 ( -0.244 1.734 -8.344) 8.525 13.457 ( 1.169 8.711 0.247) 8.792 14.842 ( 9.595 -10.315 -17.362) 22.359 17.778 ( 12.016 -15.395 18.275) 26.746 18.550 ( 11.549 11.276 -8.378) 18.186 19.501 ( -4.156 -10.083 -2.716) 11.239 19.903 ( 22.940 2.450 -2.411) 23.196 20.218 ( -5.537 7.859 -3.660) 10.287 23.034 ( -9.924 -23.937 1.864) 25.979 23.487 ( 6.822 5.136 -2.517) 8.902 24.525 ( -13.044 5.314 -6.732) 15.611 ======================= Grid point 509 (244/432) ======================= q-point: (-0.18 0.00 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 1.629 7.903 27.327) 28.493 2.166 ( -12.677 12.732 25.129) 30.891 3.919 ( -20.935 -4.684 10.389) 23.836 4.244 ( -3.748 -4.927 -3.908) 7.321 4.375 ( -3.835 -0.698 7.434) 8.394 4.520 ( 8.106 6.323 2.144) 10.502 5.316 ( -6.322 -15.198 -6.390) 17.657 5.474 ( -0.448 -3.746 3.737) 5.310 5.722 ( -11.105 4.145 -9.191) 14.999 6.022 ( -1.071 1.444 15.523) 15.627 6.253 ( 9.304 3.436 6.659) 11.946 6.727 ( 16.392 -7.795 4.341) 18.663 6.803 ( 2.506 -3.396 2.027) 4.682 7.170 ( -0.418 -5.665 1.360) 5.841 7.612 ( -4.946 0.208 -13.989) 14.839 8.185 ( -14.163 -8.246 21.663) 27.164 8.713 ( -2.987 8.370 21.591) 23.349 9.227 ( -0.857 12.563 -6.018) 13.956 9.549 ( 0.102 -11.829 5.813) 13.180 9.950 ( 9.302 7.393 5.497) 13.091 10.268 ( -23.689 -9.136 -2.695) 25.532 11.059 ( 5.671 17.637 -7.255) 19.897 11.729 ( 4.656 -2.864 -12.096) 13.274 12.320 ( -7.339 -4.054 0.597) 8.405 12.706 ( -4.757 11.580 3.560) 13.015 13.046 ( 2.093 1.030 -2.138) 3.164 13.409 ( 0.239 4.329 -1.168) 4.490 14.795 ( 6.161 -6.743 -20.799) 22.716 18.054 ( 4.174 -8.131 -6.182) 11.034 18.780 ( 28.623 1.933 10.495) 30.548 19.442 ( -10.092 -13.620 -8.898) 19.144 19.992 ( -10.136 11.422 -3.506) 15.668 20.188 ( 27.092 2.781 -0.438) 27.238 23.121 ( -14.522 -27.304 1.861) 30.982 23.509 ( 8.620 3.940 -4.336) 10.423 24.086 ( -23.581 15.429 -11.004) 30.253 ======================= Grid point 510 (245/432) ======================= q-point: (-0.09 0.00 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( -2.194 3.942 28.329) 28.686 2.291 ( 1.801 4.138 27.083) 27.456 3.900 ( -7.799 -3.251 14.692) 16.948 4.094 ( -8.134 1.530 -5.150) 9.748 4.456 ( 12.689 -3.005 -10.020) 16.445 4.666 ( 4.928 3.467 12.272) 13.672 5.167 ( -9.780 -8.616 -14.812) 19.730 5.397 ( -9.752 6.088 -13.867) 18.013 5.643 ( -0.082 -4.341 15.372) 15.973 6.064 ( -3.999 5.024 6.310) 9.002 6.444 ( -5.067 -0.152 20.497) 21.114 6.818 ( 1.683 -2.461 -4.455) 5.361 7.081 ( 13.585 -10.911 0.973) 17.451 7.244 ( 6.646 4.495 1.257) 8.121 7.408 ( -8.001 -1.290 -3.441) 8.805 8.356 ( -16.483 -7.676 31.732) 36.572 8.860 ( -1.823 -1.790 13.546) 13.785 9.085 ( 1.098 12.820 1.052) 12.910 9.678 ( -2.781 -10.894 1.271) 11.315 9.917 ( -10.673 14.451 1.394) 18.019 10.231 ( 5.892 -12.696 7.820) 16.033 10.890 ( 3.918 14.613 -9.568) 17.901 11.625 ( 2.371 -0.454 -14.403) 14.604 12.259 ( -7.371 -5.433 -4.635) 10.263 12.661 ( -1.329 7.981 10.676) 13.395 13.073 ( 6.715 0.874 -1.919) 7.039 13.363 ( -0.820 1.592 -1.841) 2.568 14.652 ( 2.712 -3.325 -21.014) 21.448 18.051 ( 6.946 -1.620 -10.162) 12.415 19.246 ( -8.098 -5.117 -12.570) 15.804 19.273 ( 20.250 -7.882 3.424) 21.997 19.705 ( -14.309 9.361 -1.711) 17.184 20.561 ( 29.362 1.663 4.813) 29.800 23.071 ( -28.289 -23.235 -6.673) 37.211 23.530 ( -11.919 16.599 -0.720) 20.447 23.560 ( 4.121 4.501 -6.373) 8.823 ======================= Grid point 512 (246/432) ======================= q-point: ( 0.09 0.09 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.150 ( 0.437 0.000 18.359) 18.365 3.227 ( 12.517 0.000 14.528) 19.177 3.864 ( 5.944 0.000 0.526) 5.967 4.103 ( -9.981 -0.000 -17.940) 20.529 4.385 ( 0.313 0.000 -9.736) 9.741 4.573 ( -5.282 -0.000 -6.654) 8.496 4.665 ( 8.105 0.000 8.026) 11.406 4.712 ( -3.968 -0.000 -10.145) 10.893 6.224 ( -15.442 -0.000 16.162) 22.353 6.357 ( -0.195 -0.000 5.953) 5.956 6.472 ( -3.944 -0.000 0.793) 4.023 6.507 ( -5.487 -0.000 -4.842) 7.318 6.942 ( -1.877 -0.000 -0.052) 1.878 7.227 ( -4.111 -0.000 0.333) 4.125 8.025 ( -4.580 -0.000 34.306) 34.610 8.629 ( -19.031 -0.000 -11.739) 22.360 8.937 ( -10.424 -0.000 21.389) 23.794 9.402 ( 3.753 0.000 2.888) 4.736 9.623 ( 0.370 0.000 -5.251) 5.265 9.909 ( 9.561 0.000 24.843) 26.620 10.378 ( -4.898 -0.000 -10.719) 11.785 11.301 ( 3.946 0.000 -16.049) 16.527 11.422 ( 20.078 0.000 15.343) 25.269 11.817 ( 10.597 0.000 -11.418) 15.578 12.881 ( -1.298 -0.000 0.239) 1.320 13.302 ( -5.209 -0.000 7.255) 8.931 13.341 ( 8.983 0.000 -7.016) 11.398 14.102 ( -0.743 -0.000 -9.995) 10.022 18.025 ( -12.803 -0.000 -19.369) 23.218 18.216 ( 11.863 0.000 -2.497) 12.123 19.158 ( -12.916 -0.000 6.186) 14.321 19.685 ( -11.552 -0.000 1.776) 11.688 21.701 ( -9.883 -0.000 -18.867) 21.299 22.024 ( 21.976 0.000 16.618) 27.552 23.214 ( -2.242 -0.000 0.126) 2.246 23.787 ( 8.591 0.000 -1.720) 8.761 ======================= Grid point 513 (247/432) ======================= q-point: ( 0.18 0.09 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.228 ( -3.656 3.878 1.351) 5.498 3.545 ( 7.648 -5.185 7.645) 11.993 3.823 ( -3.117 -0.304 -9.197) 9.716 3.992 ( 7.312 3.950 4.944) 9.670 4.262 ( -4.623 4.689 2.243) 6.957 4.431 ( -4.735 5.935 -6.129) 9.757 4.578 ( 1.888 -11.312 -12.048) 16.634 4.902 ( 6.414 -7.425 6.790) 11.932 6.040 ( -26.668 -0.081 4.853) 27.106 6.263 ( -7.931 2.927 -1.394) 8.568 6.449 ( -3.646 -2.582 -2.056) 4.918 6.498 ( -6.589 -1.205 5.199) 8.479 6.972 ( 4.398 1.343 2.188) 5.093 7.190 ( -0.305 -1.331 -1.560) 2.073 8.190 ( -14.445 11.034 -8.248) 19.961 8.337 ( -8.416 1.986 29.824) 31.053 9.033 ( -11.406 -6.520 12.944) 18.443 9.468 ( 0.120 4.149 4.934) 6.448 9.538 ( -3.668 -1.711 -3.972) 5.671 10.160 ( -9.762 -1.444 -8.540) 13.050 10.367 ( 14.190 -4.196 18.826) 23.945 11.207 ( 11.384 6.666 -12.033) 17.856 11.808 ( 16.600 5.899 -1.761) 17.704 11.907 ( 18.472 -4.998 5.268) 19.848 12.871 ( -0.740 -5.323 -2.843) 6.080 13.297 ( -7.234 3.206 7.492) 10.897 13.345 ( 1.130 -3.780 -6.535) 7.634 14.016 ( 4.530 -0.381 -8.656) 9.777 17.676 ( -10.867 -0.502 -15.017) 18.543 18.373 ( 10.619 -0.411 4.419) 11.509 19.087 ( -6.896 0.165 3.615) 7.788 19.519 ( -17.389 -1.957 2.441) 17.669 21.377 ( -1.169 5.830 -20.846) 21.677 22.460 ( 11.141 -4.497 16.237) 20.199 23.229 ( 5.244 0.101 0.063) 5.245 23.884 ( 7.596 -0.106 0.277) 7.601 ======================= Grid point 514 (248/432) ======================= q-point: (-0.73 0.09 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.073 ( -9.737 3.456 -4.097) 11.115 3.457 ( -13.598 -6.571 -12.533) 19.626 3.967 ( 3.273 5.752 4.141) 7.807 4.014 ( 13.096 2.151 2.105) 13.438 4.234 ( -4.531 6.825 2.674) 8.617 4.378 ( 0.464 -0.943 9.904) 9.959 4.615 ( 6.979 -12.648 -9.488) 17.283 5.098 ( 0.931 -12.505 4.078) 13.186 5.731 ( -25.228 3.316 3.726) 25.717 6.136 ( -5.782 3.723 -0.012) 6.877 6.310 ( -15.429 -0.004 -1.629) 15.515 6.451 ( -9.432 -6.190 1.279) 11.354 7.040 ( 5.322 3.582 0.035) 6.415 7.207 ( 2.109 -2.680 -1.288) 3.646 7.857 ( -5.985 7.024 -10.158) 13.724 8.515 ( -10.462 6.260 25.739) 28.480 9.033 ( -12.271 -2.622 6.705) 14.227 9.429 ( -2.060 -1.965 -2.523) 3.804 9.511 ( -6.215 3.934 7.897) 10.792 9.924 ( -14.419 -7.700 -9.534) 18.924 10.778 ( 14.763 -0.763 14.491) 20.701 11.189 ( 14.673 14.349 -6.966) 21.673 11.858 ( 15.632 4.948 -11.930) 20.278 12.308 ( 17.461 -3.292 9.373) 20.089 12.911 ( 3.661 -6.379 -0.531) 7.374 13.228 ( -9.254 1.763 4.086) 10.269 13.294 ( -6.249 -2.467 -0.675) 6.752 14.039 ( 10.628 -6.251 -9.559) 15.601 17.402 ( -10.190 -0.042 -10.085) 14.337 18.599 ( 9.203 -0.692 11.661) 14.872 19.064 ( 0.740 -1.526 -1.215) 2.086 19.360 ( -14.386 -3.747 2.723) 15.113 21.092 ( 2.357 8.185 -20.395) 22.102 22.710 ( -3.682 -8.418 9.082) 12.919 23.365 ( 14.515 4.554 3.809) 15.682 24.000 ( 6.483 -1.592 3.637) 7.602 ======================= Grid point 515 (249/432) ======================= q-point: (-0.64 0.09 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( -13.079 0.829 1.333) 13.173 3.142 ( -17.992 -1.453 -11.801) 21.566 3.885 ( 1.202 1.947 -6.021) 6.441 4.182 ( -1.787 6.247 9.233) 11.290 4.290 ( 4.518 -2.021 9.209) 10.455 4.471 ( 1.929 -6.475 -1.395) 6.898 4.745 ( 6.584 -8.023 -0.990) 10.426 5.210 ( -6.097 -14.391 1.682) 15.719 5.443 ( -17.825 10.782 6.695) 21.882 6.063 ( -6.916 -2.290 -0.909) 7.342 6.084 ( -11.430 1.373 0.267) 11.515 6.401 ( -10.126 -7.746 2.480) 12.988 7.018 ( 0.119 3.185 -5.137) 6.046 7.245 ( 1.365 -0.182 1.324) 1.910 7.705 ( 3.603 2.385 -7.601) 8.744 8.520 ( -14.010 9.905 13.003) 21.528 8.927 ( -12.717 -2.643 2.354) 13.201 9.418 ( -5.132 0.017 4.206) 6.635 9.474 ( -5.309 2.402 5.667) 8.128 9.747 ( -11.999 -11.975 -4.030) 17.425 11.014 ( 9.644 12.264 0.566) 15.611 11.215 ( 13.741 11.371 4.012) 18.281 11.873 ( 14.465 3.615 -13.563) 20.155 12.551 ( 9.277 -3.331 -1.876) 10.034 12.992 ( -1.682 -0.862 -0.831) 2.064 13.200 ( -10.525 3.935 10.847) 15.617 13.275 ( 6.165 -8.231 4.163) 11.094 14.157 ( 12.871 -12.580 -10.992) 21.089 17.185 ( -9.526 1.271 -3.846) 10.352 18.857 ( 7.188 -0.489 10.789) 12.974 19.101 ( 4.446 -4.030 -2.336) 6.439 19.298 ( -2.437 -3.083 2.366) 4.587 20.837 ( 2.423 8.326 -17.634) 19.651 22.746 ( -10.943 -11.361 1.690) 15.865 23.546 ( 13.842 10.271 3.844) 17.660 24.181 ( 6.001 -5.306 9.139) 12.153 ======================= Grid point 516 (250/432) ======================= q-point: (-0.55 0.09 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( -16.428 1.654 -6.227) 17.646 2.798 ( -21.312 6.467 8.884) 23.978 3.864 ( 5.530 -3.598 -6.725) 9.421 4.255 ( -2.634 -0.226 12.054) 12.341 4.360 ( -4.696 -7.389 0.752) 8.787 4.506 ( -7.132 -2.933 2.510) 8.110 4.832 ( -4.066 -3.539 3.806) 6.599 5.242 ( -1.276 -3.464 0.012) 3.692 5.326 ( -1.666 -0.045 6.963) 7.160 5.890 ( -13.788 -3.708 0.179) 14.279 6.114 ( 2.841 -4.562 1.225) 5.512 6.381 ( -8.070 -4.781 5.468) 10.858 6.893 ( -3.025 2.377 -8.197) 9.055 7.258 ( -1.703 1.372 1.508) 2.657 7.703 ( 6.827 -1.330 -5.506) 8.871 8.295 ( -18.775 8.102 1.687) 20.518 8.854 ( -8.897 -1.481 5.876) 10.765 9.336 ( -10.731 4.571 6.366) 13.288 9.516 ( 0.511 -2.837 4.305) 5.181 9.721 ( -7.105 -13.256 1.020) 15.075 10.903 ( 4.196 22.475 -4.562) 23.314 11.380 ( 11.134 7.619 5.470) 14.558 11.853 ( 12.513 4.505 -14.959) 20.016 12.605 ( 2.584 -2.797 -5.025) 6.305 12.927 ( -8.566 0.091 3.989) 9.449 13.140 ( -6.097 -2.431 1.164) 6.667 13.548 ( 11.707 -0.023 8.103) 14.238 14.321 ( 13.187 -16.631 -11.276) 24.034 17.079 ( -5.970 -0.043 5.393) 8.045 18.922 ( 1.179 0.253 -7.683) 7.777 19.250 ( 7.664 -1.127 8.603) 11.577 19.410 ( 11.851 -2.878 0.736) 12.218 20.620 ( 0.294 6.279 -12.522) 14.011 22.692 ( -13.363 -14.226 -0.986) 19.543 23.626 ( 9.787 12.658 0.959) 16.029 24.422 ( 3.541 -7.060 11.093) 13.617 ======================= Grid point 517 (251/432) ======================= q-point: (-0.45 0.09 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( -19.324 11.113 -0.546) 22.298 2.648 ( -19.911 10.290 17.820) 28.634 3.904 ( 4.628 -4.663 -5.265) 8.419 4.272 ( -11.345 -11.223 -3.719) 16.386 4.406 ( -9.092 -3.241 7.829) 12.428 4.477 ( -4.255 6.392 19.586) 21.037 4.809 ( -10.879 -12.844 0.487) 16.839 5.306 ( 9.032 -6.250 -4.572) 11.897 5.478 ( 4.824 -1.806 9.890) 11.150 5.808 ( -7.354 -6.708 3.136) 10.436 6.199 ( 1.094 -5.143 -0.230) 5.263 6.394 ( -3.181 0.888 6.968) 7.711 6.745 ( -0.915 1.700 -8.427) 8.646 7.204 ( -8.074 0.049 1.181) 8.160 7.743 ( 3.768 -5.268 -6.119) 8.910 8.035 ( -14.823 1.961 1.900) 15.073 8.839 ( -6.661 4.124 10.724) 13.280 9.250 ( -9.151 -0.009 5.171) 10.511 9.603 ( 1.468 -0.595 4.991) 5.236 9.762 ( -4.279 -11.227 -0.376) 12.021 10.698 ( -0.992 20.312 -2.400) 20.477 11.478 ( 10.062 11.425 1.940) 15.348 11.783 ( 10.482 5.176 -15.726) 19.595 12.565 ( -4.295 0.002 -1.922) 4.705 12.880 ( -7.676 0.886 7.224) 10.578 13.110 ( -1.591 -6.418 -5.086) 8.342 13.686 ( 6.573 7.480 0.670) 9.980 14.503 ( 12.113 -17.487 -11.738) 24.296 17.188 ( 0.913 -6.012 15.696) 16.832 18.802 ( 4.200 3.623 -14.484) 15.510 19.394 ( 2.174 -0.686 2.722) 3.550 19.654 ( 21.800 -0.013 0.311) 21.802 20.455 ( -3.124 3.723 -6.199) 7.877 22.638 ( -14.103 -18.060 -0.077) 22.914 23.633 ( 7.721 11.965 -0.898) 14.268 24.593 ( -2.542 -5.553 6.597) 8.990 ======================= Grid point 518 (252/432) ======================= q-point: (-0.36 0.09 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( -11.102 16.482 14.497) 24.598 2.506 ( -18.079 14.740 19.610) 30.474 3.911 ( -5.732 -5.674 -1.320) 8.173 4.166 ( -11.825 -7.190 1.894) 13.969 4.389 ( -9.906 -0.842 8.651) 13.179 4.579 ( 2.626 6.611 5.610) 9.059 4.875 ( -6.458 -20.702 7.302) 22.882 5.403 ( 7.081 -6.620 -9.159) 13.336 5.654 ( -5.140 -6.890 14.003) 16.431 5.895 ( 5.979 -6.292 1.902) 8.886 6.218 ( 1.372 2.261 2.725) 3.798 6.440 ( 0.631 1.586 5.092) 5.370 6.700 ( 4.535 -2.531 -3.412) 6.214 7.094 ( -12.522 -3.134 2.352) 13.121 7.708 ( -4.141 -6.497 -7.463) 10.727 7.968 ( -4.647 -4.638 4.298) 7.847 8.847 ( -7.381 10.110 16.605) 20.794 9.242 ( -5.464 -6.796 6.167) 10.680 9.630 ( 2.013 9.176 -0.766) 9.425 9.782 ( -5.458 -12.275 -0.725) 13.453 10.512 ( -3.879 15.229 1.760) 15.813 11.495 ( 11.007 18.193 -2.434) 21.402 11.704 ( 8.246 0.602 -13.579) 15.898 12.456 ( -8.711 3.059 0.213) 9.235 12.871 ( -5.319 0.956 6.149) 8.186 13.073 ( 0.136 -4.411 -7.322) 8.549 13.642 ( 1.426 11.515 -1.543) 11.705 14.625 ( 8.960 -15.351 -15.541) 23.611 17.533 ( 6.741 -13.660 18.353) 23.851 18.685 ( 11.202 4.100 -15.176) 19.303 19.392 ( -3.344 -1.764 -2.606) 4.592 19.942 ( 25.087 2.198 -2.734) 25.331 20.324 ( -5.559 4.613 -1.105) 7.308 22.634 ( -14.579 -22.275 2.378) 26.728 23.618 ( 7.251 9.914 -2.482) 12.531 24.565 ( -11.212 -0.537 -1.333) 11.304 ======================= Grid point 519 (253/432) ======================= q-point: (-0.27 0.09 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 0.612 14.307 24.166) 28.090 2.412 ( -14.179 15.373 23.507) 31.464 3.836 ( -14.347 -4.527 6.994) 16.591 4.141 ( -2.524 -7.245 -3.402) 8.393 4.362 ( -4.178 -2.043 2.148) 5.123 4.632 ( 4.202 7.821 8.502) 12.293 5.036 ( -3.312 -17.809 -1.948) 18.219 5.420 ( 1.960 -2.390 0.203) 3.097 5.701 ( -11.713 -6.897 -1.677) 13.696 6.040 ( 0.703 0.314 14.741) 14.762 6.339 ( 10.561 5.705 3.545) 12.516 6.538 ( 1.190 -11.583 7.709) 13.965 6.767 ( 4.511 -2.466 -1.943) 5.496 7.056 ( -4.875 -7.386 6.149) 10.776 7.595 ( -4.140 -2.348 -9.871) 10.959 8.026 ( -7.740 -10.104 8.552) 15.334 8.870 ( -9.106 9.573 20.857) 24.690 9.359 ( -1.074 -10.365 7.822) 13.029 9.493 ( 2.065 17.687 -4.970) 18.488 9.817 ( -8.389 -16.721 1.278) 18.750 10.381 ( -1.652 17.183 4.488) 17.836 11.393 ( 9.642 21.908 -8.487) 25.396 11.678 ( 6.158 -2.693 -11.363) 13.201 12.307 ( -9.960 1.532 -0.914) 10.118 12.846 ( -4.070 5.064 4.786) 8.069 13.050 ( 2.837 -0.953 -2.899) 4.167 13.534 ( -1.113 10.186 -1.093) 10.305 14.633 ( 5.410 -12.444 -19.313) 23.604 17.883 ( 5.840 -11.864 4.822) 14.075 18.755 ( 18.479 -6.404 -6.081) 20.481 19.300 ( -5.274 -1.723 -4.922) 7.417 20.076 ( -1.980 -0.163 -8.501) 8.730 20.318 ( 19.977 11.192 4.922) 23.422 22.670 ( -16.540 -25.209 3.390) 30.340 23.605 ( 7.737 7.366 -4.056) 11.427 24.281 ( -19.522 7.743 -7.105) 22.171 ======================= Grid point 520 (254/432) ======================= q-point: (-0.18 0.09 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 5.277 7.418 23.233) 24.952 2.434 ( -9.959 11.867 28.021) 32.019 3.828 ( -6.133 -4.518 7.710) 10.838 4.107 ( -1.600 -0.762 -1.471) 2.303 4.392 ( 4.328 -4.253 -3.055) 6.793 4.748 ( 5.261 5.481 9.738) 12.351 4.991 ( -3.820 -11.204 -17.026) 20.737 5.479 ( -12.392 2.155 -9.835) 15.967 5.556 ( 0.829 -4.240 14.134) 14.779 6.173 ( -3.427 6.048 11.697) 13.607 6.446 ( -2.769 0.828 15.569) 15.835 6.714 ( -2.665 -11.304 0.524) 11.625 6.913 ( 14.305 -6.809 1.814) 15.947 7.196 ( 0.870 -9.505 7.502) 12.140 7.421 ( -4.328 2.430 -9.242) 10.491 8.148 ( -11.500 -15.339 17.033) 25.645 8.905 ( -9.490 5.825 16.258) 19.705 9.354 ( 4.485 18.307 2.404) 19.001 9.508 ( -3.623 -9.398 6.362) 11.913 9.893 ( -7.046 -17.238 3.937) 19.034 10.274 ( 3.266 19.585 3.582) 20.176 11.212 ( 7.252 21.816 -9.575) 24.904 11.610 ( 4.124 -1.279 -14.444) 15.075 12.168 ( -9.687 -4.046 -3.491) 11.063 12.821 ( -1.550 8.862 8.399) 12.308 13.093 ( 6.859 1.231 -0.858) 7.021 13.427 ( -2.137 6.487 -1.637) 7.023 14.544 ( 2.245 -9.494 -20.279) 22.503 18.000 ( 7.207 -4.316 -6.847) 10.837 18.959 ( -5.557 -20.316 -8.591) 22.747 19.285 ( 15.659 2.414 0.889) 15.869 19.851 ( -11.450 5.986 -7.032) 14.710 20.628 ( 27.217 6.840 6.062) 28.711 22.662 ( -21.248 -23.808 -0.038) 31.911 23.608 ( 8.641 4.623 -4.984) 10.994 23.830 ( -20.904 14.531 -6.018) 26.161 ======================= Grid point 521 (255/432) ======================= q-point: (-0.09 0.09 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( -5.330 3.892 28.124) 28.888 2.647 ( 6.583 5.312 21.418) 23.028 3.854 ( -2.503 -6.031 -3.153) 7.251 4.167 ( 8.280 3.973 7.763) 12.026 4.438 ( 4.338 -4.905 -5.956) 8.851 4.779 ( -6.370 -5.804 -19.575) 21.388 4.867 ( 4.190 2.510 3.967) 6.292 5.154 ( -12.588 6.327 -11.604) 18.252 5.803 ( 3.087 -5.781 16.640) 17.884 6.166 ( -3.148 9.309 9.735) 13.832 6.580 ( -7.819 0.218 18.312) 19.913 6.718 ( -2.753 -3.203 -4.675) 6.300 7.097 ( 0.462 -6.834 -1.409) 6.993 7.278 ( -3.166 1.294 -1.137) 3.605 7.407 ( 2.926 -8.106 12.060) 14.823 8.374 ( -12.054 -20.728 22.156) 32.647 8.931 ( -2.624 1.400 10.430) 10.846 9.358 ( 4.730 18.537 11.567) 22.356 9.564 ( -6.636 -6.778 5.115) 10.777 9.838 ( -11.536 6.687 -1.398) 13.407 10.367 ( 10.995 -8.081 3.723) 14.144 11.024 ( 7.384 21.976 -5.833) 23.906 11.513 ( 6.353 0.063 -14.334) 15.679 12.021 ( -9.382 -6.764 -8.700) 14.473 12.849 ( 0.166 9.071 10.154) 13.617 13.179 ( 10.084 2.115 -1.436) 10.403 13.340 ( -2.353 2.608 -1.521) 3.828 14.401 ( -0.306 -6.401 -17.970) 19.078 18.045 ( 10.255 -1.648 -8.353) 13.329 18.780 ( -14.921 -10.585 -15.884) 24.227 19.478 ( -5.088 0.560 -0.374) 5.133 19.638 ( 5.242 3.016 -0.502) 6.068 21.036 ( 27.259 1.986 9.882) 29.063 22.470 ( -25.524 -13.241 -7.946) 29.832 23.452 ( -13.174 11.057 -0.518) 17.207 23.641 ( 9.120 2.098 -4.578) 10.418 ======================= Grid point 524 (256/432) ======================= q-point: ( 0.18 -0.82 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.114 ( -6.267 -0.000 -10.718) 12.416 3.384 ( -13.907 -0.000 -8.865) 16.492 3.994 ( 14.954 0.000 10.249) 18.129 4.098 ( -2.904 -0.000 2.578) 3.883 4.247 ( -2.206 -0.000 -16.806) 16.951 4.400 ( 3.239 0.000 18.475) 18.757 4.505 ( 2.595 0.000 -2.111) 3.345 4.958 ( -1.341 -0.000 1.603) 2.090 5.770 ( -21.739 -0.000 6.568) 22.710 6.171 ( -7.624 -0.000 -1.036) 7.694 6.331 ( -6.384 -0.000 -6.227) 8.919 6.373 ( -17.779 -0.000 5.176) 18.517 7.091 ( 6.680 0.000 3.215) 7.413 7.162 ( 1.962 0.000 -5.075) 5.442 7.919 ( -9.426 -0.000 -12.143) 15.372 8.563 ( -13.356 -0.000 28.923) 31.857 9.026 ( -10.679 -0.000 12.044) 16.096 9.405 ( -2.697 -0.000 -6.170) 6.734 9.545 ( -5.472 -0.000 7.967) 9.665 9.849 ( -12.403 -0.000 -13.964) 18.677 10.777 ( 15.273 0.000 17.440) 23.182 11.312 ( 17.852 0.000 -9.491) 20.218 11.932 ( 16.324 0.000 -12.347) 20.467 12.260 ( 14.527 0.000 12.182) 18.959 12.849 ( 5.759 0.000 0.903) 5.829 13.208 ( -3.964 -0.000 -9.366) 10.170 13.301 ( -11.485 -0.000 10.437) 15.519 13.987 ( 8.787 0.000 -10.725) 13.865 17.401 ( -9.844 -0.000 -9.379) 13.597 18.594 ( 9.205 0.000 11.939) 15.076 19.053 ( -1.158 -0.000 -0.692) 1.349 19.327 ( -13.278 -0.000 2.312) 13.478 21.163 ( 2.143 0.000 -21.933) 22.038 22.637 ( -4.116 -0.000 9.632) 10.475 23.405 ( 14.785 0.000 6.878) 16.307 23.985 ( 6.495 0.000 1.480) 6.662 ======================= Grid point 526 (257/432) ======================= q-point: (-0.73 0.18 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.892 ( -6.531 0.124 -10.516) 12.380 3.112 ( -15.196 -1.514 -6.843) 16.734 3.969 ( -3.409 7.914 -6.675) 10.900 4.129 ( -8.291 -8.845 1.764) 12.251 4.303 ( 13.184 -0.529 6.350) 14.643 4.451 ( -6.673 3.114 1.454) 7.506 4.687 ( 8.830 2.170 11.255) 14.469 4.942 ( -7.961 -13.997 1.750) 16.197 5.635 ( -11.749 8.650 10.352) 17.889 5.997 ( -15.913 -4.194 -3.330) 16.790 6.128 ( -9.135 2.404 -5.976) 11.177 6.297 ( -8.758 -4.004 7.537) 12.229 7.074 ( -2.065 2.873 -6.489) 7.391 7.216 ( 4.475 -2.353 1.223) 5.202 7.733 ( 0.098 0.875 -8.894) 8.937 8.639 ( -17.228 3.571 20.437) 26.967 8.953 ( -13.557 4.313 5.185) 15.142 9.344 ( -2.620 -6.338 -2.432) 7.277 9.527 ( -10.143 2.380 7.364) 12.759 9.587 ( -7.352 -5.138 -9.292) 12.915 11.122 ( 12.689 2.572 11.810) 17.524 11.420 ( 17.453 7.969 -6.533) 20.268 11.965 ( 15.379 6.262 -13.019) 21.100 12.466 ( 4.313 -5.780 0.207) 7.214 13.001 ( -0.407 3.212 -4.149) 5.263 13.123 ( 9.467 -8.371 2.392) 12.862 13.261 ( -12.304 2.068 14.790) 19.350 14.006 ( 11.848 -4.910 -12.918) 18.203 17.200 ( -9.862 0.495 -3.231) 10.390 18.853 ( 5.544 -0.090 12.707) 13.864 19.057 ( 6.294 -1.283 -2.651) 6.949 19.261 ( -1.433 -1.233 2.763) 3.348 20.933 ( 1.474 3.043 -20.107) 20.389 22.613 ( -10.931 -4.220 2.182) 11.919 23.688 ( 13.674 5.529 10.388) 18.040 24.098 ( 5.212 -3.675 3.679) 7.363 ======================= Grid point 527 (258/432) ======================= q-point: (-0.64 0.18 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( -6.184 0.101 -7.330) 9.591 2.879 ( -15.044 3.019 4.284) 15.931 3.830 ( 1.317 0.408 -7.895) 8.015 4.138 ( -9.011 -11.748 4.392) 15.443 4.298 ( -12.636 1.340 -0.852) 12.735 4.456 ( -5.221 -4.826 6.963) 9.951 4.818 ( 4.017 2.046 3.368) 5.627 5.109 ( 4.070 -8.905 9.771) 13.833 5.469 ( -11.934 13.404 6.465) 19.076 5.841 ( -14.677 -3.532 1.211) 15.145 5.996 ( -3.132 -8.156 -2.111) 8.988 6.344 ( -3.083 -0.455 9.577) 10.071 6.916 ( -5.744 0.472 -8.802) 10.521 7.266 ( 0.150 -0.147 -0.266) 0.339 7.681 ( 4.020 -1.113 -6.717) 7.907 8.447 ( -24.309 9.451 4.159) 26.411 8.851 ( -7.616 1.469 8.165) 11.262 9.341 ( -7.755 -14.240 -6.260) 17.381 9.437 ( -4.923 3.271 7.410) 9.479 9.560 ( -4.966 -3.880 5.755) 8.534 11.268 ( 9.259 16.612 0.193) 19.019 11.513 ( 13.402 8.310 1.885) 15.881 11.943 ( 13.546 6.950 -13.463) 20.324 12.536 ( 3.206 -6.421 -4.535) 8.490 12.872 ( -6.622 -4.207 -4.275) 8.935 13.138 ( -10.947 0.707 5.011) 12.060 13.532 ( 13.829 -1.299 13.603) 19.442 14.080 ( 12.958 -11.171 -13.849) 22.011 17.078 ( -8.088 -0.010 3.709) 8.898 18.916 ( 3.399 -0.710 -8.909) 9.561 19.244 ( 8.523 0.152 11.984) 14.706 19.379 ( 12.663 -1.111 2.939) 13.047 20.699 ( -0.975 3.214 -16.449) 16.789 22.505 ( -13.689 -7.856 -0.945) 15.811 23.843 ( 8.123 12.774 5.532) 16.117 24.284 ( 3.468 -9.349 8.186) 12.901 ======================= Grid point 528 (259/432) ======================= q-point: (-0.55 0.18 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( -8.843 10.391 0.395) 13.650 2.791 ( -13.101 6.779 15.584) 21.458 3.822 ( 4.139 -5.395 -4.679) 8.254 4.100 ( -10.238 -8.371 -7.395) 15.151 4.218 ( -10.201 -11.742 9.291) 18.118 4.462 ( -14.384 -12.713 6.852) 20.383 4.832 ( 1.243 12.526 4.091) 13.235 5.245 ( -1.070 -0.969 1.242) 1.904 5.431 ( -1.919 -1.757 11.125) 11.425 5.736 ( -6.325 -2.717 5.431) 8.769 6.085 ( 0.106 -8.018 5.025) 9.463 6.418 ( -1.400 1.532 8.261) 8.518 6.744 ( -3.282 -1.560 -10.252) 10.877 7.205 ( -8.346 0.096 -1.161) 8.427 7.667 ( 1.885 -3.747 -7.468) 8.565 8.094 ( -19.842 5.231 0.030) 20.520 8.875 ( -4.413 1.316 10.743) 11.688 9.261 ( -7.747 -3.685 -1.098) 8.649 9.477 ( -9.536 -9.603 8.103) 15.774 9.634 ( 2.167 -1.628 5.888) 6.482 11.140 ( 5.406 27.912 -3.624) 28.661 11.632 ( 9.828 6.827 1.702) 12.087 11.896 ( 12.426 7.972 -13.233) 19.826 12.550 ( 1.074 -2.047 -4.067) 4.678 12.827 ( -5.054 -7.597 0.126) 9.125 13.049 ( -9.134 -0.483 3.279) 9.717 13.775 ( 8.784 3.619 3.612) 10.164 14.214 ( 12.306 -16.239 -11.904) 23.598 17.105 ( -2.948 -3.831 11.718) 12.676 18.822 ( 5.531 -0.640 -17.667) 18.523 19.425 ( 3.305 3.672 7.669) 9.123 19.659 ( 23.610 0.275 2.307) 23.724 20.493 ( -3.920 1.026 -10.458) 11.216 22.391 ( -14.478 -11.355 -0.306) 18.402 23.850 ( 5.133 13.751 1.573) 14.762 24.470 ( -2.041 -9.114 7.189) 11.786 ======================= Grid point 529 (260/432) ======================= q-point: (-0.45 0.18 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( -5.486 17.797 13.462) 22.980 2.730 ( -14.161 12.585 18.694) 26.615 3.845 ( -5.436 -2.329 1.045) 6.006 3.996 ( -7.623 -12.033 -3.304) 14.623 4.277 ( -5.186 -10.422 0.392) 11.648 4.517 ( -7.094 -21.573 2.536) 22.850 4.813 ( 1.159 17.189 14.220) 22.338 5.267 ( 2.187 -9.540 -4.290) 10.686 5.513 ( -10.875 -6.534 11.883) 17.383 5.861 ( 6.287 0.547 9.220) 11.172 6.199 ( -1.737 -4.349 7.710) 9.021 6.464 ( -1.401 -0.067 4.631) 4.839 6.658 ( 3.731 -1.593 -7.283) 8.337 7.048 ( -14.965 -2.646 0.751) 15.216 7.607 ( -3.105 -4.969 -6.793) 8.971 7.910 ( -7.619 -2.322 -0.277) 7.970 8.949 ( -3.137 2.375 12.821) 13.411 9.191 ( -8.745 -0.458 5.529) 10.356 9.518 ( -11.756 -14.686 5.281) 19.539 9.742 ( 5.752 3.961 3.933) 8.015 10.913 ( 2.826 29.007 -2.049) 29.216 11.680 ( 7.070 3.254 -5.208) 9.364 11.836 ( 13.061 14.711 -9.372) 21.791 12.499 ( -4.013 2.184 -2.307) 5.119 12.843 ( -4.376 -5.683 3.108) 7.817 13.001 ( -3.154 -2.687 0.400) 4.163 13.802 ( 2.948 7.312 -2.430) 8.249 14.353 ( 8.435 -16.537 -12.976) 22.649 17.335 ( 3.151 -9.950 17.071) 20.009 18.686 ( 7.616 -2.906 -22.391) 23.829 19.445 ( -0.578 6.930 1.371) 7.088 19.973 ( 23.578 1.351 -3.777) 23.916 20.368 ( -1.779 0.728 -1.076) 2.203 22.324 ( -14.195 -14.641 2.340) 20.526 23.803 ( 4.161 12.077 -0.918) 12.807 24.512 ( -9.576 -5.556 1.771) 11.212 ======================= Grid point 530 (261/432) ======================= q-point: (-0.36 0.18 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( -1.524 16.987 20.536) 26.694 2.662 ( -12.944 15.140 21.498) 29.308 3.779 ( -10.494 -2.334 5.731) 12.182 4.007 ( -1.335 -8.666 -1.545) 8.903 4.282 ( -1.729 -7.274 -3.071) 8.083 4.637 ( 0.346 -17.082 -3.876) 17.520 4.899 ( 1.102 11.081 15.913) 19.422 5.355 ( 3.340 -8.664 -0.906) 9.329 5.539 ( -10.231 -8.698 4.856) 14.280 6.034 ( 1.314 -0.170 13.685) 13.749 6.317 ( -3.878 -8.761 10.043) 13.880 6.482 ( 0.465 3.859 2.486) 4.613 6.699 ( 6.635 -5.032 -2.392) 8.664 6.949 ( -8.632 -5.230 4.950) 11.241 7.541 ( -2.989 -3.666 -4.774) 6.721 7.869 ( -5.435 -8.354 -1.197) 10.038 9.011 ( -8.055 6.764 16.042) 19.183 9.216 ( -4.243 -6.231 9.991) 12.516 9.543 ( -10.700 -14.703 4.104) 18.642 9.768 ( 5.375 13.682 0.247) 14.702 10.723 ( 2.509 23.533 1.940) 23.746 11.643 ( 7.019 -0.326 -14.303) 15.936 11.769 ( 10.911 21.073 -4.944) 24.239 12.347 ( -9.906 3.104 -4.008) 11.128 12.872 ( -3.083 -2.425 4.349) 5.856 13.029 ( 2.955 -0.805 2.001) 3.659 13.707 ( -1.441 9.451 -2.586) 9.904 14.397 ( 4.248 -15.297 -16.780) 23.100 17.680 ( 6.081 -11.907 13.059) 18.689 18.594 ( 7.876 -10.965 -19.545) 23.754 19.364 ( 0.502 7.654 -2.555) 8.085 20.043 ( -1.677 -3.287 -8.273) 9.059 20.494 ( 21.903 9.263 4.703) 24.241 22.313 ( -14.442 -17.391 4.058) 22.967 23.746 ( 4.326 9.364 -2.863) 10.705 24.348 ( -16.648 0.677 -3.917) 17.116 ======================= Grid point 531 (262/432) ======================= q-point: (-0.27 0.18 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( -1.636 9.267 20.127) 22.219 2.659 ( -7.918 14.947 24.738) 29.968 3.763 ( -5.458 -3.202 4.119) 7.550 4.069 ( 5.403 -3.304 -0.097) 6.334 4.306 ( -0.507 -6.452 -0.101) 6.473 4.706 ( -0.159 -13.832 -8.252) 16.107 4.946 ( 3.860 9.333 1.997) 10.295 5.433 ( -8.419 -7.411 -3.131) 11.645 5.533 ( 0.672 0.386 10.661) 10.689 6.220 ( -3.413 -0.297 18.555) 18.869 6.427 ( -11.969 -11.273 13.093) 21.018 6.543 ( 8.491 0.828 2.167) 8.802 6.832 ( 7.096 -5.791 1.487) 9.279 7.015 ( -1.471 -9.313 5.745) 11.041 7.450 ( -3.307 0.832 -6.452) 7.297 7.892 ( -7.735 -14.516 4.531) 17.061 9.010 ( -11.866 6.217 16.408) 21.182 9.356 ( -4.601 -8.205 10.374) 14.005 9.621 ( -3.197 -14.343 5.847) 15.816 9.690 ( 5.531 20.486 1.649) 21.283 10.611 ( 1.103 19.705 3.503) 20.044 11.560 ( 10.856 7.870 -15.315) 20.356 11.623 ( 4.220 14.854 -10.415) 18.626 12.132 ( -12.627 -0.599 -5.209) 13.672 12.910 ( -1.479 0.963 6.712) 6.940 13.123 ( 7.783 3.031 3.311) 8.985 13.566 ( -3.882 9.237 -1.902) 10.198 14.346 ( 1.260 -13.830 -18.801) 23.374 17.914 ( 7.544 -5.815 -0.639) 9.547 18.620 ( -2.271 -19.751 -8.888) 21.778 19.338 ( 10.657 3.966 -3.403) 11.870 19.887 ( -9.648 -1.198 -7.844) 12.492 20.784 ( 25.815 11.202 5.626) 28.698 22.310 ( -15.527 -18.093 2.327) 23.955 23.701 ( 5.268 6.362 -4.089) 9.217 24.011 ( -19.693 7.368 -6.063) 21.883 ======================= Grid point 532 (263/432) ======================= q-point: (-0.18 0.18 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( -4.168 3.703 21.299) 22.017 2.795 ( 2.928 11.199 23.138) 25.872 3.760 ( -2.275 -4.785 -1.547) 5.520 4.178 ( 8.970 -2.871 -4.624) 10.492 4.377 ( -0.421 -2.478 7.862) 8.254 4.632 ( -3.503 -10.373 -17.322) 20.492 4.954 ( 5.642 6.334 0.197) 8.485 5.236 ( -9.125 3.092 -10.319) 14.118 5.746 ( 2.871 -0.831 18.148) 18.393 6.305 ( -3.850 5.898 10.426) 12.582 6.569 ( -8.474 -3.036 21.285) 23.110 6.649 ( 2.803 -3.384 -1.265) 4.573 6.975 ( 0.397 -7.959 2.433) 8.331 7.185 ( 2.041 -11.718 8.343) 14.528 7.329 ( -3.291 -0.053 -3.551) 4.842 8.013 ( -9.301 -20.694 9.768) 24.702 8.995 ( -7.896 4.744 13.508) 16.350 9.451 ( -7.452 -6.955 9.931) 14.231 9.653 ( 5.770 16.214 8.309) 19.111 9.796 ( -0.809 -7.512 5.291) 9.223 10.474 ( -0.209 16.738 0.500) 16.747 11.388 ( 8.346 21.740 -9.526) 25.160 11.515 ( 8.178 0.191 -14.475) 16.627 11.916 ( -12.002 -5.038 -8.344) 15.461 12.970 ( -0.227 3.226 8.541) 9.133 13.236 ( 8.995 5.835 2.439) 10.996 13.423 ( -3.143 7.021 -2.307) 8.031 14.247 ( -0.518 -11.850 -17.410) 21.066 18.008 ( 10.175 -2.618 -6.926) 12.584 18.573 ( -12.543 -13.459 -7.169) 19.745 19.458 ( 6.676 -2.650 -4.196) 8.319 19.684 ( -4.071 1.643 -4.924) 6.597 21.103 ( 21.439 6.390 9.632) 24.356 22.239 ( -14.737 -13.295 -3.916) 20.230 23.636 ( -16.158 9.885 -3.900) 19.339 23.689 ( 6.519 3.601 -4.124) 8.513 ======================= Grid point 533 (264/432) ======================= q-point: (-0.09 0.18 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( -0.838 0.184 21.882) 21.898 3.041 ( 8.710 7.583 19.063) 22.289 3.762 ( 0.883 -4.349 -2.490) 5.089 4.206 ( 2.917 -8.451 -11.797) 14.802 4.433 ( -2.589 -5.785 -15.747) 16.974 4.518 ( -1.108 2.108 10.997) 11.252 4.929 ( -5.824 3.963 -4.573) 8.399 4.965 ( 3.696 10.730 -12.649) 16.993 6.002 ( 2.118 -2.355 17.041) 17.332 6.337 ( -1.428 5.763 11.741) 13.157 6.606 ( -8.113 1.243 0.690) 8.237 6.648 ( -5.093 1.828 3.728) 6.571 6.996 ( -5.023 -2.764 -0.905) 5.805 7.253 ( -3.410 -0.703 1.659) 3.857 7.524 ( 1.615 -14.163 21.801) 26.048 8.200 ( -9.828 -26.754 8.499) 29.742 9.070 ( -0.865 1.955 13.784) 13.949 9.529 ( -6.782 -5.035 11.723) 14.449 9.684 ( -10.641 16.065 -0.383) 19.274 9.750 ( 5.762 7.341 8.420) 12.569 10.443 ( 5.598 0.588 -1.606) 5.853 11.283 ( 8.778 16.497 0.211) 18.689 11.428 ( 3.759 -0.316 -14.578) 15.058 11.765 ( 1.019 -6.316 -11.201) 12.899 13.023 ( -0.431 7.538 7.332) 10.524 13.253 ( -3.563 -0.116 0.289) 3.577 13.382 ( 9.518 7.568 -1.989) 12.322 14.146 ( -0.873 -8.652 -13.350) 15.933 18.084 ( 10.105 -2.197 -6.342) 12.131 18.372 ( -11.642 -4.255 -12.634) 17.699 19.321 ( -13.075 1.282 -2.188) 13.318 19.725 ( 3.737 -1.327 0.248) 3.973 21.435 ( 10.130 -5.545 10.557) 15.646 22.086 ( -2.704 -0.163 -8.919) 9.322 23.371 ( -9.409 6.996 -1.081) 11.774 23.719 ( 7.497 1.324 -2.998) 8.182 ======================= Grid point 537 (265/432) ======================= q-point: ( 0.27 -0.73 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( -1.582 -0.000 -7.659) 7.820 2.901 ( -12.084 -0.000 1.833) 12.223 3.865 ( 0.964 0.000 -13.382) 13.417 3.999 ( -11.038 -0.000 5.440) 12.306 4.358 ( -16.307 -0.000 5.190) 17.113 4.365 ( -11.345 -0.000 2.967) 11.726 4.857 ( 7.017 0.000 2.814) 7.560 5.014 ( 9.761 0.000 14.651) 17.605 5.686 ( -18.158 -0.000 -2.152) 18.285 5.717 ( -8.973 -0.000 12.752) 15.592 5.923 ( -7.810 -0.000 -5.223) 9.395 6.343 ( -1.241 -0.000 10.118) 10.194 6.918 ( -7.641 -0.000 -9.315) 12.048 7.263 ( 1.727 0.000 -0.739) 1.879 7.671 ( 2.978 0.000 -7.261) 7.848 8.545 ( -27.356 -0.000 7.972) 28.494 8.884 ( -9.251 -0.000 8.133) 12.317 9.165 ( -5.632 -0.000 -8.084) 9.852 9.495 ( 4.886 0.000 -1.201) 5.031 9.515 ( -13.334 -0.000 12.461) 18.251 11.395 ( 9.772 0.000 7.449) 12.288 11.603 ( 16.152 0.000 -5.847) 17.178 12.045 ( 16.004 0.000 -14.177) 21.380 12.438 ( -1.139 -0.000 -0.750) 1.364 12.838 ( -6.543 -0.000 -7.471) 9.932 13.142 ( -10.084 -0.000 4.980) 11.247 13.520 ( 13.888 0.000 16.266) 21.389 13.982 ( 12.792 0.000 -15.250) 19.905 17.078 ( -8.865 -0.000 3.128) 9.401 18.908 ( 4.168 0.000 -9.725) 10.581 19.246 ( 8.638 0.000 13.837) 16.312 19.370 ( 13.151 0.000 3.551) 13.622 20.726 ( -1.420 -0.000 -18.083) 18.139 22.439 ( -13.603 -0.000 -0.828) 13.628 23.996 ( 7.668 0.000 12.360) 14.545 24.160 ( 3.215 0.000 1.996) 3.784 ======================= Grid point 539 (266/432) ======================= q-point: (-0.64 0.27 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( 0.489 5.853 1.684) 6.110 2.858 ( -6.745 1.090 12.665) 14.391 3.755 ( 3.529 -1.307 -9.535) 10.251 3.955 ( -6.518 -8.041 -0.492) 10.362 4.138 ( -20.583 2.504 7.157) 21.935 4.259 ( -18.137 -10.071 4.273) 21.181 4.970 ( 7.649 3.434 -1.733) 8.561 5.239 ( -1.745 -0.678 8.462) 8.666 5.498 ( -7.228 9.014 9.712) 15.094 5.675 ( -9.731 -5.658 7.306) 13.420 5.964 ( 1.229 -4.932 9.368) 10.658 6.436 ( -2.257 0.507 7.779) 8.116 6.713 ( -4.605 -1.397 -10.586) 11.629 7.208 ( -7.637 0.191 -3.017) 8.213 7.622 ( 1.275 -1.440 -7.599) 7.839 8.186 ( -24.909 4.244 -1.933) 25.342 8.901 ( -5.605 1.786 11.744) 13.135 9.089 ( -1.546 -9.824 -5.460) 11.345 9.462 ( -15.854 2.211 14.022) 21.280 9.613 ( 6.765 -1.034 5.383) 8.707 11.501 ( 7.535 12.257 -1.023) 14.424 11.709 ( 10.650 2.434 -4.286) 11.736 12.049 ( 13.973 9.861 -10.337) 19.983 12.454 ( -0.119 -9.278 -2.249) 9.548 12.722 ( -2.768 -2.643 -3.430) 5.139 13.053 ( -12.249 0.226 5.747) 13.532 13.824 ( 9.999 2.412 7.823) 12.923 14.001 ( 12.556 -8.173 -14.557) 20.890 17.062 ( -4.768 -1.302 9.575) 10.776 18.806 ( 5.752 -0.729 -19.610) 20.449 19.481 ( 4.080 2.188 12.216) 13.064 19.660 ( 24.590 -0.017 2.927) 24.763 20.499 ( -4.228 0.023 -14.237) 14.851 22.265 ( -13.999 -3.770 -0.198) 14.499 24.079 ( 2.039 13.476 4.666) 14.406 24.295 ( -0.414 -11.789 5.703) 13.103 ======================= Grid point 540 (267/432) ======================= q-point: (-0.55 0.27 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( -0.972 14.057 11.844) 18.408 2.924 ( -6.178 9.939 18.291) 21.715 3.777 ( 3.105 -8.768 -3.171) 9.827 3.856 ( -11.859 -0.553 -0.589) 11.886 4.082 ( -7.661 -12.528 6.103) 15.902 4.200 ( -8.782 -14.614 -0.208) 17.051 4.972 ( 2.947 -1.658 -4.434) 5.576 5.214 ( -9.504 5.319 10.719) 15.281 5.492 ( -7.390 5.331 13.702) 16.455 5.847 ( 5.577 -4.324 12.193) 14.088 6.118 ( -3.118 -3.173 9.777) 10.742 6.413 ( -5.907 -5.285 0.400) 7.936 6.659 ( 6.083 1.159 -3.441) 7.085 7.007 ( -17.709 -1.966 -1.754) 17.904 7.551 ( -0.418 -1.824 -7.674) 7.899 7.891 ( -11.849 -0.159 -3.978) 12.500 8.966 ( -3.534 0.735 11.854) 12.391 9.123 ( -0.780 -7.977 -0.454) 8.028 9.393 ( -18.380 -0.399 14.860) 23.639 9.785 ( 8.024 1.435 7.215) 10.886 11.378 ( 4.997 24.150 -6.100) 25.405 11.718 ( 6.244 1.657 -10.060) 11.955 12.051 ( 9.971 11.191 -1.143) 15.032 12.500 ( 2.888 -5.472 -5.949) 8.583 12.722 ( -1.861 -4.513 2.304) 5.398 12.976 ( -8.361 -1.271 5.149) 9.901 13.888 ( 5.744 3.342 -6.162) 9.062 14.110 ( 6.861 -11.512 -7.240) 15.232 17.208 ( 1.180 -5.167 15.277) 16.171 18.630 ( 5.345 -2.948 -25.764) 26.477 19.571 ( 0.050 6.764 5.259) 8.568 19.987 ( 20.749 0.383 -5.537) 21.478 20.359 ( 3.529 -1.319 -2.797) 4.693 22.148 ( -12.850 -6.755 2.542) 14.738 24.010 ( 0.242 12.512 0.660) 12.532 24.388 ( -7.338 -9.140 3.038) 12.108 ======================= Grid point 541 (268/432) ======================= q-point: (-0.45 0.27 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( -5.393 14.410 16.172) 22.322 2.936 ( -6.191 17.992 19.193) 27.026 3.740 ( -9.990 -3.678 4.088) 11.404 3.876 ( 1.776 -5.865 3.347) 6.983 4.146 ( -0.305 -8.395 -2.979) 8.913 4.292 ( 0.452 -21.000 -2.486) 21.151 5.044 ( 8.342 -10.293 -4.397) 13.960 5.222 ( -9.637 8.695 21.441) 25.064 5.484 ( -5.791 1.169 4.818) 7.623 6.053 ( 1.872 0.626 11.636) 11.802 6.147 ( -12.021 -9.159 8.617) 17.397 6.498 ( 3.153 -3.678 6.728) 8.291 6.656 ( -0.784 0.959 -1.694) 2.099 6.868 ( -5.971 -4.898 2.678) 8.174 7.492 ( -0.059 -1.732 -4.208) 4.551 7.755 ( -5.343 -5.321 -6.565) 9.998 9.066 ( -3.024 -0.117 12.544) 12.904 9.165 ( -5.237 -1.153 7.912) 9.558 9.354 ( -14.671 -6.818 11.724) 19.979 9.935 ( 7.866 6.557 5.818) 11.778 11.143 ( 3.098 25.603 -5.798) 26.434 11.644 ( 6.094 0.495 -14.006) 15.282 12.058 ( 5.158 12.035 0.590) 13.107 12.421 ( -2.204 5.458 -9.863) 11.486 12.783 ( -3.511 -6.156 6.215) 9.426 13.016 ( 3.246 -1.792 5.450) 6.592 13.825 ( 0.851 4.274 -6.338) 7.692 14.157 ( 1.349 -12.240 -11.156) 16.616 17.505 ( 5.735 -8.680 16.774) 19.739 18.433 ( 4.182 -7.833 -25.740) 27.229 19.511 ( -0.046 9.199 -2.270) 9.475 19.974 ( -4.302 -4.874 -9.422) 11.447 20.616 ( 28.232 5.254 4.127) 29.012 22.094 ( -12.263 -9.156 4.169) 15.861 23.908 ( -0.059 9.957 -1.815) 10.121 24.316 ( -13.659 -4.241 -1.590) 14.390 ======================= Grid point 542 (269/432) ======================= q-point: (-0.36 0.27 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( -6.549 9.561 15.995) 19.752 2.933 ( -4.925 17.967 20.362) 27.598 3.716 ( -5.603 -2.814 2.760) 6.851 4.019 ( 8.028 -2.363 3.311) 9.000 4.179 ( -1.384 -8.341 0.940) 8.507 4.426 ( 2.161 -18.158 -7.742) 19.857 5.153 ( 7.810 12.157 -3.022) 14.763 5.243 ( -7.368 -13.127 2.455) 15.253 5.538 ( -0.348 -0.500 14.627) 14.640 6.178 ( -6.045 -9.958 8.289) 14.297 6.223 ( -8.953 -3.557 23.040) 24.973 6.608 ( 4.998 2.665 2.023) 6.015 6.699 ( -1.231 -7.619 5.880) 9.702 6.928 ( 2.958 -2.869 3.057) 5.131 7.454 ( -2.438 -0.008 -3.707) 4.437 7.686 ( -3.589 -9.893 -4.658) 11.509 9.104 ( -11.189 4.971 13.715) 18.385 9.237 ( -8.475 -5.751 14.677) 17.897 9.424 ( -1.931 -9.470 8.093) 12.606 9.996 ( 7.282 15.092 3.735) 17.168 10.935 ( 1.378 19.733 -2.500) 19.939 11.566 ( 7.948 -0.322 -15.002) 16.980 11.973 ( 2.725 16.390 -4.602) 17.241 12.158 ( -9.481 6.611 -11.462) 16.278 12.865 ( -2.934 -5.244 6.791) 9.068 13.181 ( 10.585 2.643 6.712) 12.809 13.702 ( -4.159 6.369 -3.284) 8.286 14.108 ( -1.237 -13.707 -15.499) 20.727 17.814 ( 7.794 -5.975 7.827) 12.558 18.326 ( 0.769 -14.938 -13.777) 20.336 19.416 ( 4.756 5.329 -6.953) 9.968 19.833 ( -8.736 -4.862 -7.193) 12.317 20.972 ( 28.530 10.655 4.005) 30.717 22.065 ( -11.788 -11.448 2.672) 16.648 23.812 ( 0.880 6.802 -3.326) 7.622 24.084 ( -17.228 1.736 -4.678) 17.936 ======================= Grid point 543 (270/432) ======================= q-point: (-0.27 0.27 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( -2.299 5.990 16.513) 17.715 2.997 ( -0.722 12.930 20.545) 24.285 3.701 ( -1.793 -2.259 0.080) 2.885 4.107 ( 3.234 -4.722 -6.465) 8.634 4.313 ( 0.569 -6.573 8.897) 11.076 4.450 ( 1.165 -10.498 -11.166) 15.370 5.055 ( -1.167 4.946 -3.434) 6.133 5.256 ( 4.260 -0.353 -9.868) 10.754 5.757 ( 1.072 0.848 20.944) 20.989 6.305 ( -3.207 -7.025 8.815) 11.719 6.463 ( -6.366 -6.283 27.746) 29.152 6.658 ( 3.358 2.053 0.773) 4.011 6.818 ( -1.836 -9.176 6.040) 11.138 7.042 ( 4.269 -4.683 3.408) 7.195 7.333 ( -6.852 0.195 -4.329) 8.107 7.725 ( -3.291 -13.300 0.533) 13.711 9.067 ( -11.533 3.781 13.813) 18.387 9.335 ( -10.157 -6.803 14.711) 19.127 9.610 ( 2.061 -8.782 7.641) 11.822 9.994 ( 8.134 19.064 5.505) 21.446 10.765 ( -2.752 16.282 -1.500) 16.581 11.513 ( 8.917 -0.053 -14.645) 17.146 11.761 ( 6.620 22.245 -11.179) 25.761 11.866 ( -13.147 -0.571 -8.925) 15.900 12.946 ( -2.525 -4.847 6.420) 8.431 13.365 ( 11.101 8.152 6.622) 15.282 13.547 ( -5.435 7.211 -1.600) 9.171 14.021 ( -1.512 -14.676 -16.387) 22.050 17.964 ( 9.978 -2.473 -5.134) 11.490 18.350 ( -6.966 -12.961 0.088) 14.714 19.403 ( 5.610 -3.619 -8.732) 10.992 19.684 ( -4.197 -1.397 -5.736) 7.244 21.246 ( 16.569 10.371 7.160) 20.817 22.043 ( -4.756 -10.224 -2.599) 11.572 23.743 ( -1.995 3.722 -4.464) 6.145 23.778 ( -11.609 6.215 -3.718) 13.682 ======================= Grid point 544 (271/432) ======================= q-point: (-0.18 0.27 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.871 ( -0.112 3.400 17.937) 18.257 3.169 ( 6.958 7.394 16.543) 19.411 3.715 ( 0.848 -0.752 1.152) 1.616 4.075 ( -0.973 -7.160 -8.949) 11.502 4.316 ( -0.757 -7.980 -14.542) 16.605 4.508 ( -4.514 -3.853 9.227) 10.971 4.980 ( 1.144 2.460 -4.664) 5.396 5.148 ( 7.310 10.444 -13.047) 18.241 6.000 ( 1.710 1.239 18.526) 18.646 6.372 ( -4.827 -2.389 6.810) 8.682 6.642 ( -4.667 2.785 8.290) 9.913 6.676 ( -5.508 1.257 4.846) 7.444 6.933 ( -0.901 -4.913 3.135) 5.897 7.234 ( -5.345 -4.097 2.255) 7.102 7.264 ( 4.325 -12.611 15.464) 20.417 7.811 ( -5.350 -18.449 1.454) 19.264 9.092 ( -5.497 0.618 13.710) 14.784 9.433 ( -9.628 -6.301 15.618) 19.399 9.722 ( -4.266 -2.677 2.885) 5.804 10.022 ( 6.313 17.307 7.665) 19.954 10.572 ( -0.628 12.910 -2.327) 13.133 11.413 ( -4.554 -0.602 -14.218) 14.942 11.558 ( 4.115 13.734 -5.567) 15.380 11.710 ( 10.241 2.263 -10.770) 15.033 13.030 ( -2.679 -5.595 6.711) 9.139 13.330 ( -7.704 7.607 -0.518) 10.839 13.538 ( 10.727 10.748 1.441) 15.253 13.963 ( 0.992 -13.042 -12.358) 17.995 18.045 ( 8.200 -2.330 -4.866) 9.816 18.302 ( -7.583 -3.951 -4.044) 9.459 19.312 ( -8.208 -2.635 -7.226) 11.248 19.692 ( 6.198 -2.518 -1.848) 6.940 21.364 ( -5.359 -2.333 6.012) 8.385 22.093 ( 14.357 0.948 -4.421) 15.052 23.488 ( -11.395 6.629 -2.865) 13.491 23.744 ( 4.441 1.555 -2.243) 5.212 ======================= Grid point 545 (272/432) ======================= q-point: (-0.09 0.27 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.053 ( -2.045 -1.108 16.322) 16.487 3.405 ( 13.172 5.147 10.129) 17.396 3.768 ( 2.383 -0.416 4.435) 5.052 4.011 ( -1.698 -7.209 -10.495) 12.845 4.203 ( -0.842 -3.554 -10.822) 11.422 4.479 ( -13.931 -4.702 1.389) 14.768 4.950 ( 7.261 8.003 -5.888) 12.306 5.012 ( 7.408 11.757 -6.981) 15.551 6.148 ( -5.312 0.185 10.365) 11.648 6.421 ( -4.358 -2.061 5.414) 7.249 6.508 ( -15.651 3.476 1.231) 16.079 6.610 ( -3.841 4.068 1.502) 5.792 6.939 ( -0.286 0.574 -0.878) 1.087 7.223 ( -3.699 -0.763 3.078) 4.872 7.716 ( 3.030 -15.665 25.622) 30.184 7.932 ( -4.530 -22.740 0.910) 23.204 9.215 ( -1.947 -2.306 13.672) 14.001 9.532 ( -8.584 -5.042 8.579) 13.142 9.549 ( -15.146 10.541 1.398) 18.506 10.076 ( 8.016 9.692 8.172) 14.999 10.538 ( 6.282 7.855 0.238) 10.061 11.105 ( -13.457 -4.780 -13.721) 19.804 11.600 ( 16.638 5.894 -1.903) 17.754 11.769 ( 16.498 2.732 -6.478) 17.934 13.114 ( -2.657 -0.162 6.267) 6.809 13.166 ( -7.909 0.519 -0.646) 7.952 13.539 ( 4.301 8.444 -4.262) 10.391 13.988 ( 6.794 -4.910 -6.374) 10.530 17.995 ( -8.934 -0.308 -10.426) 13.734 18.247 ( 8.742 0.687 -2.833) 9.215 19.160 ( -7.922 -0.251 -1.272) 8.027 19.719 ( -5.252 0.812 1.564) 5.539 21.312 ( -9.933 -13.356 -6.836) 17.994 22.303 ( 22.692 9.072 4.962) 24.936 23.303 ( -5.726 4.472 -2.049) 7.548 23.791 ( 5.933 0.016 -0.217) 5.937 ======================= Grid point 550 (273/432) ======================= q-point: ( 0.36 -0.64 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.796 ( 0.252 0.000 10.242) 10.245 3.014 ( 0.771 0.000 19.578) 19.593 3.695 ( 3.011 0.000 -6.433) 7.103 3.864 ( -5.770 -0.000 -0.066) 5.770 3.944 ( -18.927 -0.000 8.663) 20.815 4.074 ( -6.555 -0.000 0.656) 6.588 4.934 ( -3.553 -0.000 -8.071) 8.819 5.263 ( -7.955 -0.000 11.950) 14.356 5.644 ( -6.303 -0.000 16.139) 17.326 5.722 ( 4.166 0.000 10.670) 11.455 6.107 ( 1.505 0.000 13.750) 13.832 6.351 ( -10.191 -0.000 -3.694) 10.840 6.672 ( 7.300 0.000 -0.913) 7.356 6.990 ( -19.323 -0.000 -3.132) 19.575 7.538 ( 1.234 0.000 -8.100) 8.193 7.892 ( -14.386 -0.000 -5.766) 15.499 8.984 ( -5.709 -0.000 13.550) 14.704 9.030 ( 3.389 0.000 -0.831) 3.489 9.403 ( -19.217 -0.000 14.907) 24.321 9.796 ( 8.767 0.000 8.178) 11.989 11.603 ( 6.299 0.000 -7.119) 9.506 11.731 ( 6.252 0.000 -11.129) 12.765 12.221 ( 15.263 0.000 -3.660) 15.695 12.336 ( -7.850 -0.000 0.973) 7.910 12.717 ( 6.669 0.000 -0.635) 6.699 12.959 ( -12.220 -0.000 5.840) 13.544 13.919 ( 11.220 0.000 -18.065) 21.266 14.005 ( 1.937 0.000 5.520) 5.850 17.165 ( 0.581 0.000 14.469) 14.480 18.604 ( 4.711 0.000 -26.671) 27.083 19.633 ( -0.211 -0.000 7.587) 7.590 19.989 ( 18.975 0.000 -6.837) 20.169 20.344 ( 6.476 0.000 -4.002) 7.613 22.093 ( -12.239 -0.000 2.713) 12.536 24.196 ( -1.533 -0.000 -1.706) 2.293 24.231 ( -6.253 -0.000 6.349) 8.911 ======================= Grid point 552 (274/432) ======================= q-point: (-0.55 0.36 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( -7.351 6.640 11.798) 15.405 3.226 ( 2.264 13.881 19.355) 23.925 3.667 ( -6.540 -2.030 2.170) 7.183 3.777 ( -7.684 -9.423 6.359) 13.721 4.002 ( 4.739 -6.306 2.869) 8.394 4.060 ( 2.992 -4.789 -4.616) 7.293 4.840 ( -1.306 -7.906 -3.569) 8.772 5.339 ( -6.865 1.622 19.706) 20.930 5.628 ( -5.318 14.851 3.249) 16.106 5.883 ( -5.870 -14.665 5.927) 16.871 6.200 ( -2.049 9.238 12.071) 15.338 6.373 ( 1.101 -10.224 10.611) 14.776 6.697 ( -12.654 2.712 0.479) 12.950 6.794 ( 2.769 -3.394 0.832) 4.458 7.483 ( 4.079 0.120 -7.133) 8.218 7.693 ( -6.967 -1.997 -7.470) 10.408 9.060 ( -5.424 0.273 13.573) 14.619 9.119 ( 2.950 -3.161 4.707) 6.391 9.318 ( -19.912 0.328 15.341) 25.139 10.001 ( 8.697 1.778 8.548) 12.323 11.497 ( 4.693 13.600 -12.807) 19.261 11.653 ( 5.512 0.321 -14.368) 15.392 12.190 ( -6.977 5.653 2.808) 9.409 12.416 ( 6.207 -6.703 -2.856) 9.571 12.793 ( 0.377 8.216 4.238) 9.253 12.942 ( 2.527 -7.405 4.286) 8.921 13.847 ( 7.375 -0.744 -15.958) 17.595 14.029 ( -5.381 -2.949 0.480) 6.154 17.404 ( 5.508 -3.153 17.553) 18.665 18.344 ( 3.111 -2.726 -28.051) 28.355 19.645 ( -1.700 5.719 0.618) 5.998 19.892 ( -5.961 -4.032 -13.180) 15.016 20.671 ( 32.948 1.581 3.581) 33.180 21.998 ( -11.233 -2.685 4.285) 12.319 24.069 ( -4.314 8.929 -1.822) 10.083 24.218 ( -10.420 -7.069 0.200) 12.593 ======================= Grid point 553 (275/432) ======================= q-point: (-0.45 0.36 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( -7.459 7.319 11.205) 15.321 3.255 ( -3.182 20.605 15.577) 26.026 3.666 ( -3.845 -2.892 3.330) 5.851 3.935 ( 1.619 -13.234 8.191) 15.648 4.056 ( -0.521 -3.928 -2.752) 4.825 4.178 ( 7.504 -8.124 -0.280) 11.063 4.972 ( 7.393 -14.068 -0.309) 15.895 5.389 ( -4.554 11.774 -7.566) 14.718 5.511 ( -4.279 -2.088 19.934) 20.495 5.970 ( -9.356 -11.760 9.721) 17.898 6.280 ( -2.060 7.734 18.040) 19.736 6.596 ( -3.977 -2.386 4.748) 6.637 6.604 ( -0.610 -6.300 11.669) 13.275 6.893 ( 6.251 -1.102 0.943) 6.417 7.463 ( 0.833 1.313 -4.526) 4.786 7.565 ( -1.041 -5.064 -8.626) 10.056 9.146 ( -7.673 -1.486 14.633) 16.590 9.194 ( -14.499 2.039 14.449) 20.571 9.302 ( -1.517 -5.309 9.571) 11.049 10.173 ( 8.603 6.365 7.294) 12.951 11.254 ( 1.970 17.091 -12.794) 21.439 11.564 ( 7.464 -0.075 -15.072) 16.819 12.066 ( -11.615 0.482 -0.109) 11.626 12.385 ( 3.438 12.638 -10.133) 16.560 12.784 ( -5.778 -2.178 8.545) 10.543 13.175 ( 14.787 -3.796 4.502) 15.916 13.759 ( 1.424 0.237 -9.843) 9.948 13.939 ( -9.065 -5.371 -5.061) 11.689 17.726 ( 7.970 -4.167 15.540) 17.954 18.137 ( 2.872 -7.535 -20.009) 21.573 19.513 ( -1.407 6.170 -9.422) 11.349 19.738 ( -6.802 -6.174 -6.580) 11.299 21.118 ( 33.956 6.387 2.531) 34.644 21.925 ( -11.620 -5.516 2.590) 13.121 23.921 ( -3.871 6.022 -3.313) 7.888 24.079 ( -13.946 -1.982 -2.869) 14.375 ======================= Grid point 554 (276/432) ======================= q-point: (-0.36 0.36 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.837 ( 0.944 6.799 11.797) 13.648 3.225 ( -5.109 14.585 15.779) 22.086 3.682 ( 1.061 -0.309 1.727) 2.050 4.036 ( -2.050 -3.865 -3.752) 5.764 4.133 ( -0.059 -13.791 0.874) 13.819 4.320 ( 3.178 -5.537 3.077) 7.088 5.084 ( -3.425 -1.658 -4.018) 5.534 5.251 ( 15.822 0.205 -13.132) 20.562 5.732 ( -4.024 -3.796 22.812) 23.473 6.119 ( -2.192 -12.659 11.282) 17.098 6.430 ( -3.281 2.915 22.850) 23.268 6.638 ( -2.936 -2.918 6.663) 7.844 6.753 ( 2.112 -1.283 5.412) 5.950 6.991 ( 2.906 -2.112 2.862) 4.593 7.335 ( -8.464 0.060 -4.034) 9.376 7.578 ( 5.489 -4.732 -5.501) 9.098 9.120 ( -15.288 2.368 13.475) 20.516 9.235 ( -12.333 -4.735 18.210) 22.497 9.489 ( 3.759 -5.627 9.489) 11.654 10.273 ( 8.083 13.242 5.523) 16.468 11.005 ( -1.225 12.782 -9.535) 15.994 11.508 ( 9.141 -0.548 -14.507) 17.155 11.864 ( -14.080 1.712 -4.031) 14.745 12.141 ( 4.715 20.902 -13.406) 25.276 12.843 ( -5.335 -6.744 6.537) 10.802 13.447 ( 14.758 -0.407 4.362) 15.394 13.648 ( -5.634 4.816 -0.348) 7.419 13.802 ( -5.765 -9.567 -11.505) 16.036 17.933 ( 9.391 -1.034 -3.812) 10.188 18.154 ( -0.275 -10.287 5.325) 11.587 19.350 ( -1.048 -2.486 -12.356) 12.647 19.651 ( -1.205 -2.182 -5.385) 5.934 21.429 ( 14.736 11.182 3.684) 18.861 21.892 ( 2.370 -8.249 -2.277) 8.880 23.795 ( -4.757 2.539 -4.594) 7.084 23.857 ( -11.667 3.246 -2.570) 12.380 ======================= Grid point 555 (277/432) ======================= q-point: (-0.27 0.36 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.961 ( 3.405 7.324 12.961) 15.272 3.277 ( 1.748 5.646 13.414) 14.658 3.744 ( 3.538 3.794 5.540) 7.590 3.970 ( -4.504 -5.541 -6.353) 9.557 4.176 ( 1.895 -8.463 -9.660) 12.982 4.399 ( -9.616 -8.489 6.223) 14.257 5.016 ( 6.529 2.082 -6.990) 9.788 5.290 ( 13.026 5.766 -12.809) 19.157 5.983 ( -1.958 -5.019 20.712) 21.401 6.271 ( -3.783 -8.427 3.723) 9.959 6.646 ( -3.285 -3.025 6.450) 7.845 6.701 ( -5.574 1.930 18.283) 19.211 6.850 ( 4.248 -3.411 4.337) 6.963 7.065 ( -0.170 -6.170 6.087) 8.669 7.231 ( -5.633 -0.477 3.945) 6.893 7.612 ( 2.458 -5.845 -5.417) 8.340 9.090 ( -11.395 -0.827 13.483) 17.673 9.330 ( -12.692 -5.627 19.334) 23.802 9.665 ( 1.046 -3.392 7.478) 8.278 10.296 ( 5.687 15.285 4.049) 16.804 10.781 ( -3.792 10.157 -7.320) 13.081 11.417 ( -3.582 1.582 -12.242) 12.853 11.660 ( 0.622 3.347 -6.696) 7.512 11.924 ( 10.687 18.011 -11.412) 23.851 12.901 ( -5.784 -9.002 5.076) 11.844 13.439 ( -10.992 4.843 0.674) 12.031 13.691 ( -1.103 -2.944 -8.228) 8.808 13.749 ( 14.500 -2.278 1.595) 14.764 18.012 ( 7.808 -1.500 -2.359) 8.293 18.244 ( -3.935 -2.955 2.399) 5.474 19.240 ( -3.191 -5.436 -8.951) 10.948 19.647 ( 6.478 -2.709 -4.556) 8.369 21.361 ( -14.672 1.530 -0.233) 14.753 22.113 ( 26.293 1.377 -1.824) 26.392 23.584 ( -11.544 4.884 -3.265) 12.953 23.766 ( 0.132 0.986 -1.295) 1.633 ======================= Grid point 556 (278/432) ======================= q-point: (-0.18 0.36 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.066 ( -4.898 2.885 14.226) 15.319 3.472 ( 13.042 3.052 8.136) 15.672 3.814 ( 2.176 5.527 6.461) 8.776 3.893 ( -2.842 -6.002 -5.895) 8.880 4.152 ( 5.032 -3.377 -10.903) 12.474 4.351 ( -16.361 -10.275 3.116) 19.569 5.043 ( 10.318 3.163 -5.624) 12.169 5.207 ( 8.607 11.297 -11.786) 18.456 6.156 ( -5.218 -0.158 8.185) 9.708 6.333 ( -4.112 -9.462 9.679) 14.147 6.524 ( -14.389 -1.605 -7.275) 16.203 6.703 ( -9.775 7.067 9.813) 15.550 6.949 ( 3.009 0.318 0.544) 3.074 7.209 ( -3.198 -0.499 4.470) 5.519 7.452 ( 7.906 -15.181 23.192) 28.825 7.640 ( 1.840 -10.701 -4.510) 11.757 9.151 ( -6.637 -4.874 12.995) 15.385 9.429 ( -12.992 -6.326 16.913) 22.246 9.693 ( -7.559 6.006 4.611) 10.699 10.258 ( 1.974 11.257 1.218) 11.494 10.634 ( 2.893 2.562 -4.944) 6.275 11.123 ( -14.138 7.917 -8.081) 18.107 11.672 ( 14.953 3.102 -7.853) 17.173 11.886 ( 16.094 10.502 -4.872) 19.825 12.965 ( -7.303 -11.319 6.116) 14.794 13.268 ( -8.326 5.527 -0.056) 9.993 13.596 ( -2.807 -3.822 -8.451) 9.691 13.969 ( 15.970 4.173 1.988) 16.625 18.006 ( -7.416 1.639 -6.140) 9.767 18.248 ( 7.460 -0.601 -0.460) 7.499 19.153 ( -2.473 -0.519 -3.490) 4.309 19.711 ( 1.736 -1.985 -0.641) 2.714 21.131 ( -15.131 -7.929 -7.727) 18.749 22.434 ( 27.174 6.631 2.367) 28.072 23.385 ( -7.971 5.306 -1.924) 9.767 23.785 ( 2.921 -0.897 1.161) 3.269 ======================= Grid point 557 (279/432) ======================= q-point: (-0.09 -0.64 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.096 ( -13.048 -2.184 11.192) 17.328 3.700 ( 10.625 2.273 5.871) 12.350 3.808 ( 0.753 -3.872 -9.321) 10.121 3.926 ( 5.576 4.252 5.225) 8.745 4.051 ( -7.887 -4.052 -5.537) 10.454 4.325 ( -0.715 -3.544 3.428) 4.982 5.014 ( 10.601 11.661 -15.075) 21.809 5.152 ( 2.809 3.302 2.990) 5.266 6.103 ( -11.232 0.630 2.724) 11.575 6.186 ( -20.074 1.136 -7.163) 21.344 6.464 ( -7.548 -4.994 7.250) 11.596 6.608 ( -8.013 5.976 5.621) 11.468 6.970 ( 4.040 2.217 -1.320) 4.794 7.208 ( -3.119 -1.182 2.424) 4.123 7.685 ( 2.429 -12.033 -6.084) 13.701 7.977 ( 5.596 -15.727 22.921) 28.356 9.277 ( -3.778 -7.359 10.985) 13.752 9.402 ( -14.618 3.840 1.777) 15.218 9.540 ( -13.113 6.649 10.824) 18.257 10.218 ( -2.226 1.979 -1.898) 3.532 10.689 ( 7.471 -9.307 -3.982) 12.582 10.836 ( -4.748 13.263 0.578) 14.099 11.754 ( 16.248 1.472 -11.097) 19.731 12.053 ( 19.302 5.439 4.683) 20.593 13.026 ( -9.244 -10.060 6.086) 14.957 13.146 ( -3.531 4.970 1.203) 6.214 13.488 ( -3.564 -0.556 -6.379) 7.329 14.125 ( 14.938 7.635 -1.487) 16.842 17.722 ( -11.643 2.030 -14.674) 18.841 18.405 ( 9.767 1.269 6.638) 11.877 19.113 ( 1.394 2.740 -0.842) 3.188 19.649 ( -12.355 3.910 2.877) 13.275 20.971 ( -3.792 -14.471 -14.777) 21.027 22.746 ( 20.297 8.547 8.198) 23.499 23.245 ( -3.042 2.688 -3.570) 5.406 23.879 ( 5.149 -0.929 4.580) 6.954 ======================= Grid point 563 (280/432) ======================= q-point: ( 0.45 -0.55 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( -7.611 -0.000 8.770) 11.612 3.582 ( 6.340 0.000 15.789) 17.014 3.638 ( -9.025 -0.000 7.686) 11.855 3.643 ( -3.900 -0.000 1.259) 4.098 4.027 ( 1.544 0.000 -3.978) 4.267 4.138 ( 7.043 0.000 5.906) 9.191 4.840 ( 9.864 0.000 0.664) 9.886 5.476 ( -3.512 -0.000 0.985) 3.648 5.522 ( -10.701 -0.000 5.739) 12.143 5.849 ( -6.301 -0.000 12.095) 13.638 6.443 ( 3.490 0.000 12.417) 12.898 6.448 ( -3.108 -0.000 17.972) 18.239 6.580 ( -9.283 -0.000 7.433) 11.892 6.887 ( 7.938 0.000 -0.196) 7.940 7.491 ( 9.624 0.000 -7.768) 12.368 7.509 ( -7.279 -0.000 -7.167) 10.215 9.126 ( -11.513 -0.000 17.533) 20.975 9.236 ( -18.269 -0.000 13.659) 22.811 9.241 ( 5.102 0.000 8.249) 9.699 10.223 ( 9.088 0.000 8.516) 12.455 11.419 ( 3.053 0.000 -19.204) 19.445 11.561 ( 6.358 0.000 -14.775) 16.085 12.067 ( -12.442 -0.000 -0.096) 12.443 12.469 ( 2.536 0.000 0.147) 2.540 12.809 ( -9.290 -0.000 5.505) 10.799 13.109 ( 19.987 0.000 -0.004) 19.987 13.749 ( 5.296 0.000 -13.311) 14.326 13.907 ( -13.716 -0.000 1.679) 13.819 17.689 ( 8.069 0.000 18.352) 20.047 18.075 ( 3.593 0.000 -22.512) 22.796 19.599 ( -9.176 -0.000 -14.619) 17.260 19.652 ( -0.614 -0.000 -2.050) 2.140 21.173 ( 37.090 0.000 1.895) 37.138 21.879 ( -12.616 -0.000 2.610) 12.884 23.992 ( -7.008 -0.000 -5.528) 8.925 24.041 ( -11.369 -0.000 0.033) 11.369 ======================= Grid point 565 (281/432) ======================= q-point: (-0.45 0.45 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.924 ( 2.664 2.993 9.139) 9.979 3.479 ( -7.702 15.005 7.031) 18.274 3.671 ( 1.311 -2.515 2.658) 3.887 3.880 ( -0.456 -12.070 7.779) 14.366 4.009 ( 2.192 -1.365 -2.744) 3.768 4.252 ( -2.869 -2.367 6.852) 7.797 5.040 ( 14.059 -2.165 -0.821) 14.249 5.253 ( 3.492 -0.027 -17.822) 18.161 5.673 ( -7.006 -2.178 22.437) 23.606 5.954 ( -0.914 -5.676 11.005) 12.416 6.538 ( -1.967 8.541 17.082) 19.199 6.608 ( -3.702 -0.769 10.008) 10.699 6.684 ( 1.258 -7.004 10.027) 12.296 6.973 ( 3.921 -0.241 1.470) 4.195 7.336 ( -9.207 0.011 -3.638) 9.900 7.542 ( 11.311 -0.536 -8.632) 14.238 9.132 ( -21.989 -0.668 18.491) 28.738 9.198 ( -9.841 -0.038 14.707) 17.696 9.424 ( 4.556 -2.105 10.613) 11.739 10.417 ( 8.557 4.110 7.336) 11.997 11.173 ( -1.186 6.161 -19.301) 20.295 11.494 ( 8.166 -0.876 -13.762) 16.026 11.902 ( -10.548 1.984 -1.656) 10.860 12.406 ( 1.074 8.715 -9.270) 12.769 12.762 ( -7.841 -1.870 5.739) 9.895 13.353 ( 16.412 -6.738 -6.435) 18.872 13.708 ( -6.810 2.270 1.544) 7.342 13.731 ( -5.562 -1.019 -0.988) 5.740 17.935 ( 7.678 1.290 -6.245) 9.981 18.019 ( 5.353 -5.475 11.010) 13.411 19.323 ( -6.722 -0.769 -14.136) 15.672 19.623 ( 1.713 -1.000 -5.259) 5.621 21.605 ( 16.908 9.637 0.814) 19.479 21.758 ( 3.549 -8.132 -1.627) 9.021 23.825 ( -7.921 0.903 -5.050) 9.437 23.891 ( -10.049 0.967 -1.241) 10.172 ======================= Grid point 566 (282/432) ======================= q-point: (-0.36 0.45 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.092 ( 10.510 7.126 9.051) 15.594 3.371 ( -6.839 6.367 9.377) 13.238 3.782 ( 3.964 -2.559 5.857) 7.521 3.898 ( -1.120 -2.123 -4.953) 5.504 4.073 ( 0.579 -2.002 0.220) 2.095 4.255 ( -12.378 -8.088 4.441) 15.439 5.062 ( 9.211 3.680 -10.561) 14.489 5.310 ( 16.821 -3.589 -10.101) 19.946 5.865 ( -5.529 -6.235 19.649) 21.343 6.123 ( -0.121 -8.314 4.986) 9.695 6.614 ( -4.996 0.046 4.177) 6.512 6.728 ( -0.889 1.575 21.473) 21.549 6.818 ( 3.215 -1.657 3.236) 4.853 7.021 ( -1.904 -0.366 4.986) 5.350 7.224 ( -7.558 -0.426 4.609) 8.863 7.577 ( 9.490 0.193 -9.582) 13.488 9.067 ( -17.497 -1.645 14.915) 23.051 9.259 ( -14.179 -2.705 20.605) 25.158 9.620 ( 3.852 -1.877 10.469) 11.312 10.509 ( 4.010 9.492 2.908) 10.707 10.886 ( -5.348 2.932 -15.885) 17.016 11.458 ( 6.267 2.490 -10.067) 12.117 11.736 ( -3.432 5.500 -3.172) 7.218 12.205 ( 5.915 14.058 -13.451) 20.336 12.758 ( -8.133 -7.148 4.514) 11.732 13.454 ( 3.152 -9.313 -9.419) 13.615 13.511 ( -15.457 -1.688 0.155) 15.550 13.858 ( 12.919 5.664 7.658) 16.050 17.995 ( 8.690 -0.614 -0.077) 8.712 18.205 ( -1.529 -1.627 6.473) 6.847 19.155 ( -0.382 -4.119 -9.513) 10.374 19.609 ( 5.671 -1.686 -6.577) 8.847 21.395 ( -18.527 2.044 -5.725) 19.499 22.134 ( 33.245 0.971 -0.658) 33.266 23.649 ( -9.821 2.865 -2.698) 10.580 23.775 ( -4.668 0.093 -0.641) 4.713 ======================= Grid point 567 (283/432) ======================= q-point: (-0.27 -0.55 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.150 ( -9.272 6.966 11.511) 16.341 3.508 ( 14.509 1.169 7.595) 16.418 3.827 ( 0.195 -1.778 -3.611) 4.030 3.917 ( -3.919 4.863 5.788) 8.516 4.059 ( 3.999 -9.117 -5.085) 11.179 4.202 ( -9.044 -4.073 1.858) 10.092 5.071 ( 10.945 0.720 -8.952) 14.158 5.358 ( 10.986 5.800 -11.723) 17.081 6.088 ( -3.478 -10.357 15.600) 19.045 6.160 ( -7.073 -6.851 1.339) 9.938 6.480 ( -12.967 -2.641 -6.931) 14.939 6.814 ( -8.184 4.986 7.456) 12.142 6.960 ( 3.256 1.872 7.193) 8.115 7.200 ( 5.080 -2.347 9.898) 11.370 7.249 ( 0.716 -7.404 15.247) 16.965 7.568 ( 7.316 0.398 -9.526) 12.018 9.065 ( -12.846 -5.085 14.393) 19.951 9.335 ( -16.342 -4.662 21.026) 27.035 9.762 ( -0.027 2.747 8.789) 9.208 10.425 ( -2.413 8.349 -4.946) 9.999 10.637 ( -6.449 -1.129 -11.965) 13.639 11.331 ( -3.068 14.922 -1.574) 15.316 11.715 ( 12.227 2.113 -6.910) 14.203 12.081 ( 12.520 11.735 -8.604) 19.196 12.774 ( -9.097 -10.775 5.204) 15.031 13.333 ( -11.550 2.393 2.673) 12.094 13.452 ( -1.174 -11.105 -9.485) 14.652 14.078 ( 15.475 6.800 6.149) 17.987 18.046 ( -6.873 3.037 -4.206) 8.611 18.227 ( 6.694 -1.871 2.664) 7.444 19.146 ( 4.071 -0.160 -1.931) 4.508 19.657 ( 6.666 -3.954 -3.978) 8.712 21.047 ( -19.099 -2.573 -11.035) 22.208 22.520 ( 30.584 3.702 -0.900) 30.821 23.478 ( -8.454 5.862 0.318) 10.292 23.758 ( -0.719 -2.470 2.151) 3.354 ======================= Grid point 568 (284/432) ======================= q-point: (-0.18 -0.55 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( -18.801 0.043 13.616) 23.213 3.723 ( -6.667 -1.487 3.363) 7.613 3.772 ( 6.157 -0.342 -4.807) 7.819 3.919 ( 7.581 -2.259 2.375) 8.259 4.066 ( 0.060 3.713 -6.199) 7.226 4.267 ( 7.372 -2.201 7.029) 10.421 5.100 ( 7.824 -0.484 -7.636) 10.944 5.261 ( 4.161 9.167 -9.880) 14.105 6.085 ( -8.556 -2.153 1.726) 8.990 6.185 ( -18.285 -3.071 -7.852) 20.135 6.320 ( -6.030 -10.571 9.719) 15.575 6.725 ( -11.072 6.613 8.891) 15.664 7.014 ( 4.385 3.267 -1.053) 5.569 7.202 ( -3.413 0.880 0.656) 3.585 7.568 ( 7.564 -2.312 -7.527) 10.919 7.721 ( 11.605 -14.288 19.007) 26.460 9.141 ( -9.540 -8.543 13.796) 18.823 9.367 ( -16.521 -4.031 14.052) 22.060 9.730 ( -10.130 11.745 7.680) 17.308 10.229 ( -8.249 -1.568 -11.321) 14.095 10.529 ( 3.406 -4.843 -5.460) 8.054 11.153 ( -2.438 20.325 4.083) 20.874 11.781 ( 14.723 1.379 -11.316) 18.620 12.159 ( 17.574 7.155 1.309) 19.020 12.827 ( -9.316 -12.378 7.926) 17.402 13.224 ( -5.580 3.642 1.819) 6.908 13.415 ( -2.777 -7.709 -5.931) 10.115 14.266 ( 15.427 8.402 2.388) 17.728 17.757 ( -12.433 1.976 -15.425) 19.910 18.425 ( 9.695 1.094 9.219) 13.423 19.181 ( 6.518 5.385 -0.483) 8.469 19.689 ( -4.960 0.426 1.191) 5.119 20.754 ( -8.662 -11.001 -15.798) 21.110 22.842 ( 25.174 2.801 -0.962) 25.348 23.336 ( -6.826 8.226 1.674) 10.820 23.849 ( 3.272 -2.906 6.952) 8.215 ======================= Grid point 569 (285/432) ======================= q-point: (-0.09 -0.55 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.974 ( -22.960 -2.884 13.461) 26.771 3.520 ( -19.316 -5.505 -8.356) 21.754 3.843 ( 3.257 -4.263 -0.240) 5.370 3.957 ( 3.380 5.879 -1.117) 6.873 4.174 ( 16.480 3.016 4.404) 17.323 4.454 ( 7.802 2.032 7.153) 10.778 5.081 ( 10.495 11.350 -15.298) 21.749 5.142 ( -8.391 -6.136 3.674) 11.025 5.844 ( -19.119 4.186 -6.185) 20.526 6.033 ( -5.785 -1.548 3.689) 7.034 6.324 ( -13.909 -3.268 1.500) 14.366 6.649 ( -6.878 7.069 7.366) 12.310 7.020 ( 3.394 2.488 -2.865) 5.091 7.161 ( -2.683 -3.547 -0.221) 4.453 7.612 ( 8.504 -3.898 -8.041) 12.336 8.142 ( 4.799 -13.143 13.803) 19.654 9.228 ( -18.092 -6.365 10.125) 21.687 9.289 ( -5.096 -0.527 3.822) 6.392 9.565 ( -12.635 10.635 9.954) 19.283 10.013 ( -10.320 -6.615 -9.630) 15.588 10.645 ( 8.519 -8.875 -1.839) 12.439 11.053 ( 1.775 15.541 6.612) 16.982 11.813 ( 13.784 0.064 -13.826) 19.523 12.397 ( 17.881 3.481 4.801) 18.839 12.904 ( -9.177 -10.556 8.968) 16.615 13.168 ( -1.768 4.158 2.757) 5.293 13.378 ( -2.160 -2.609 -2.264) 4.074 14.380 ( 14.648 11.289 -2.721) 18.693 17.407 ( -11.836 0.304 -14.326) 18.585 18.650 ( 9.807 2.151 10.333) 14.408 19.213 ( 8.260 7.845 -1.497) 11.489 19.528 ( -16.611 5.005 2.223) 17.490 20.662 ( 3.419 -15.666 -16.211) 22.802 23.110 ( 16.436 2.790 3.243) 16.984 23.189 ( -4.681 5.993 -2.675) 8.061 24.037 ( 6.624 -0.342 11.360) 13.154 ======================= Grid point 576 (286/432) ======================= q-point: (-0.45 0.55 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.155 ( 15.027 0.000 8.575) 17.301 3.459 ( -13.578 -0.000 4.114) 14.188 3.705 ( 1.661 0.000 6.642) 6.847 3.888 ( 3.820 0.000 -5.499) 6.696 4.093 ( 6.400 0.000 6.506) 9.127 4.164 ( -18.493 -0.000 4.912) 19.134 5.116 ( 8.669 0.000 -16.380) 18.533 5.240 ( 17.275 0.000 -3.386) 17.603 5.816 ( -4.910 -0.000 17.966) 18.625 6.045 ( 1.339 0.000 5.460) 5.621 6.621 ( -6.511 -0.000 0.445) 6.526 6.749 ( -1.065 -0.000 21.148) 21.175 6.795 ( 5.208 0.000 5.224) 7.377 7.022 ( -2.051 -0.000 5.900) 6.246 7.219 ( -8.537 -0.000 4.657) 9.725 7.583 ( 12.159 0.000 -11.025) 16.413 9.050 ( -20.406 -0.000 16.581) 26.293 9.238 ( -14.423 -0.000 20.021) 24.675 9.605 ( 4.776 0.000 11.561) 12.509 10.591 ( 3.706 0.000 4.144) 5.559 10.905 ( -6.993 -0.000 -20.925) 22.062 11.480 ( 11.941 0.000 -9.742) 15.410 11.795 ( -5.511 -0.000 -1.288) 5.659 12.331 ( 3.172 0.000 -13.906) 14.263 12.697 ( -8.743 -0.000 4.090) 9.652 13.340 ( 5.700 0.000 -11.412) 12.756 13.515 ( -17.887 -0.000 3.704) 18.267 13.907 ( 12.375 0.000 7.992) 14.731 17.990 ( 9.273 0.000 0.825) 9.309 18.191 ( -0.654 -0.000 7.915) 7.942 19.118 ( 0.276 0.000 -9.761) 9.765 19.594 ( 5.324 0.000 -7.286) 9.024 21.414 ( -19.451 -0.000 -7.870) 20.983 22.143 ( 35.537 0.000 -0.355) 35.538 23.674 ( -8.177 -0.000 -2.254) 8.482 23.774 ( -7.416 -0.000 -0.474) 7.431 ======================= Grid point 578 (287/432) ======================= q-point: (-0.36 -0.45 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.275 ( -17.623 6.422 9.331) 20.950 3.502 ( 19.784 -1.723 6.337) 20.846 3.817 ( -2.200 -0.602 4.570) 5.107 3.909 ( -4.501 -3.876 -5.703) 8.234 3.940 ( -0.989 -2.177 -0.458) 2.435 4.221 ( 2.619 3.031 5.594) 6.880 5.079 ( 11.007 0.367 -12.578) 16.718 5.384 ( 11.529 -1.355 -7.252) 13.687 5.951 ( -3.950 -3.590 13.053) 14.102 6.076 ( -4.727 -3.480 1.467) 6.050 6.453 ( -12.447 -0.689 -6.645) 14.126 6.852 ( -1.350 0.379 0.159) 1.411 7.021 ( 1.454 4.670 17.374) 18.049 7.111 ( 3.845 -5.173 15.042) 16.365 7.214 ( -3.189 -0.375 5.946) 6.757 7.596 ( 11.039 1.585 -11.918) 16.322 8.999 ( -17.629 -2.294 16.495) 24.251 9.281 ( -17.969 -1.675 22.718) 29.014 9.791 ( 3.637 0.847 10.928) 11.549 10.528 ( -8.698 3.822 -15.565) 18.236 10.614 ( -4.978 -1.428 -6.342) 8.187 11.546 ( 11.345 8.559 -4.298) 14.847 11.736 ( 1.163 0.294 -1.348) 1.804 12.227 ( 9.525 4.485 -12.575) 16.400 12.645 ( -9.379 -3.700 5.473) 11.472 13.286 ( -0.226 -6.460 -8.591) 10.751 13.358 ( -12.894 0.488 4.478) 13.658 14.160 ( 14.089 2.624 7.221) 16.048 18.097 ( -9.001 2.493 -6.225) 11.224 18.191 ( 8.464 -1.987 7.260) 11.327 19.147 ( 9.333 0.116 1.019) 9.390 19.602 ( 7.711 -2.073 -7.129) 10.704 21.027 ( -20.481 -0.318 -13.754) 24.673 22.560 ( 32.090 1.116 -3.424) 32.291 23.569 ( -6.522 4.277 3.396) 8.506 23.708 ( -4.619 -2.960 1.773) 5.766 ======================= Grid point 579 (288/432) ======================= q-point: (-0.27 -0.45 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.100 ( -23.129 2.504 13.618) 26.957 3.599 ( -28.235 -10.224 0.023) 30.030 3.810 ( 16.357 4.125 -0.009) 16.869 3.935 ( 17.894 1.947 -1.894) 18.099 4.087 ( 5.733 -0.913 -0.546) 5.830 4.288 ( 7.160 3.850 5.841) 10.010 5.083 ( 8.292 -0.527 -9.753) 12.812 5.369 ( 2.733 2.707 -10.258) 10.955 6.029 ( -8.874 -4.710 3.609) 10.675 6.066 ( -8.131 -7.261 4.945) 11.970 6.218 ( -11.513 -2.127 -3.402) 12.192 6.798 ( -7.615 2.375 4.988) 9.408 7.085 ( 1.468 4.860 3.136) 5.967 7.215 ( -3.587 -0.281 1.254) 3.811 7.525 ( 15.079 -8.675 15.555) 23.337 7.581 ( 9.517 2.579 -10.081) 14.102 9.013 ( -15.227 -6.103 16.915) 23.563 9.307 ( -19.219 -2.783 19.977) 27.860 9.887 ( -3.870 6.743 8.899) 11.817 10.177 ( -12.501 -3.463 -17.899) 22.105 10.522 ( 1.948 1.926 -4.523) 5.288 11.472 ( -1.591 17.204 2.366) 17.439 11.785 ( 11.305 -1.561 -9.671) 14.959 12.265 ( 15.827 4.109 -2.935) 16.613 12.659 ( -8.114 -6.116 9.856) 14.155 13.252 ( -3.312 -5.990 -2.105) 7.161 13.275 ( -5.739 -1.961 0.678) 6.103 14.380 ( 14.368 4.888 4.369) 15.794 17.784 ( -13.138 1.208 -16.460) 21.095 18.440 ( 9.860 0.625 11.734) 15.340 19.283 ( 10.391 6.320 2.731) 12.465 19.659 ( 3.354 -3.520 -1.907) 5.223 20.619 ( -14.790 -5.135 -18.576) 24.293 22.858 ( 24.835 -0.189 -8.378) 26.211 23.497 ( -4.908 10.280 6.772) 13.252 23.778 ( 1.235 -5.680 8.821) 10.564 ======================= Grid point 580 (289/432) ======================= q-point: (-0.18 -0.45 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( -26.633 -0.740 15.240) 30.694 3.348 ( -25.871 -13.615 -0.831) 29.247 3.846 ( 3.482 3.104 -4.620) 6.566 4.086 ( 4.367 8.886 0.152) 9.902 4.211 ( 20.080 1.529 2.426) 20.284 4.479 ( 11.975 0.576 5.075) 13.019 5.065 ( -4.221 -1.757 -1.180) 4.721 5.221 ( 3.888 4.361 -14.121) 15.282 5.882 ( -16.033 1.514 -3.376) 16.454 6.006 ( -5.088 -1.825 4.704) 7.165 6.204 ( -9.309 -9.860 3.281) 13.952 6.760 ( -6.633 4.906 9.114) 12.293 7.076 ( 3.914 3.840 -3.146) 6.322 7.136 ( -3.990 0.501 -5.312) 6.662 7.587 ( 9.616 0.643 -7.802) 12.400 7.937 ( 11.286 -10.999 9.957) 18.641 9.070 ( -16.486 -9.306 15.619) 24.543 9.276 ( -15.143 -2.204 10.787) 18.722 9.769 ( -11.764 9.682 4.021) 15.758 9.896 ( -10.304 -3.601 -9.982) 14.791 10.565 ( 9.573 -1.896 -2.498) 10.073 11.327 ( -4.529 15.974 4.662) 17.245 11.807 ( 11.609 -1.171 -13.793) 18.066 12.458 ( 16.887 2.960 1.932) 17.253 12.745 ( -7.880 -6.461 12.744) 16.317 13.229 ( -2.058 2.911 2.749) 4.501 13.280 ( -1.298 -8.713 -0.314) 8.815 14.541 ( 14.422 7.746 0.014) 16.370 17.413 ( -12.406 0.361 -16.334) 20.514 18.685 ( 10.015 1.851 10.112) 14.352 19.367 ( 11.086 10.335 0.183) 15.158 19.597 ( -14.607 3.093 1.167) 14.977 20.403 ( 2.343 -14.798 -17.646) 23.148 23.036 ( 17.033 -5.005 -10.333) 20.541 23.413 ( -5.083 13.834 7.096) 16.357 24.012 ( 7.377 -2.544 14.444) 16.417 ======================= Grid point 581 (290/432) ======================= q-point: (-0.09 -0.45 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( -28.110 -4.992 15.330) 32.405 3.071 ( -26.183 -7.767 -6.927) 28.175 3.841 ( 0.537 -4.068 1.029) 4.231 4.094 ( 6.976 8.108 1.141) 10.757 4.422 ( 7.692 3.651 5.387) 10.075 4.672 ( 9.728 3.224 5.992) 11.872 4.915 ( -18.371 -1.834 1.379) 18.513 5.189 ( 16.612 4.193 -9.739) 19.708 5.622 ( -15.318 4.962 -1.610) 16.182 6.045 ( 0.896 -0.417 4.836) 4.936 6.136 ( -12.335 -2.407 1.391) 12.644 6.691 ( -7.189 9.153 2.796) 11.970 6.973 ( -3.677 0.744 -9.156) 9.895 7.133 ( 3.141 -3.772 2.074) 5.329 7.640 ( 10.872 -0.495 -6.116) 12.484 8.179 ( -0.230 -9.341 3.833) 10.099 9.011 ( -21.828 -5.422 7.050) 23.570 9.277 ( -4.153 -4.012 6.998) 9.073 9.608 ( -10.451 9.109 8.021) 16.016 9.751 ( -4.538 -7.993 -5.260) 10.590 10.681 ( 7.092 -2.277 -2.099) 7.738 11.225 ( -1.928 9.269 4.808) 10.618 11.800 ( 11.284 -1.623 -15.097) 18.918 12.630 ( 10.077 1.519 -1.749) 10.339 12.827 ( -10.007 -5.982 12.434) 17.046 13.234 ( 1.745 3.526 2.378) 4.597 13.359 ( 2.616 -4.705 3.087) 6.206 14.616 ( 14.148 11.693 -5.323) 19.111 17.138 ( -8.831 -1.217 -6.296) 10.914 18.888 ( 9.726 1.091 3.533) 10.405 19.313 ( -12.120 6.631 0.221) 13.817 19.445 ( 6.858 7.197 -0.695) 9.965 20.443 ( 6.688 -14.373 -11.595) 19.641 23.131 ( 4.802 -1.128 -7.739) 9.177 23.326 ( 0.729 8.783 4.841) 10.055 24.296 ( 8.315 1.190 14.851) 17.062 ======================= Grid point 589 (291/432) ======================= q-point: (-0.36 -0.36 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.133 ( -24.250 -0.000 13.630) 27.818 3.492 ( -31.121 -0.000 0.021) 31.121 3.865 ( 23.527 0.000 3.673) 23.812 3.937 ( 12.146 0.000 -11.652) 16.831 4.078 ( 10.862 0.000 8.568) 13.835 4.331 ( 4.200 0.000 2.627) 4.954 5.084 ( 11.886 0.000 -12.207) 17.037 5.373 ( -1.812 -0.000 -6.176) 6.437 5.987 ( -6.196 -0.000 6.856) 9.241 6.002 ( -6.766 -0.000 2.706) 7.287 6.204 ( -12.717 -0.000 -5.735) 13.950 6.816 ( -5.229 -0.000 2.671) 5.872 7.146 ( -0.744 -0.000 4.701) 4.759 7.194 ( -4.196 -0.000 3.437) 5.424 7.451 ( 16.451 0.000 13.265) 21.133 7.610 ( 10.627 0.000 -11.571) 15.711 8.959 ( -17.795 -0.000 18.543) 25.700 9.282 ( -20.262 -0.000 21.786) 29.752 9.945 ( -0.689 -0.000 10.173) 10.196 10.144 ( -13.636 -0.000 -20.079) 24.271 10.544 ( 0.771 0.000 -4.655) 4.718 11.688 ( -8.614 -0.000 3.586) 9.331 11.711 ( 15.925 0.000 -10.657) 19.162 12.284 ( 14.108 0.000 -5.548) 15.160 12.628 ( -4.982 -0.000 11.596) 12.621 13.161 ( -2.463 -0.000 -5.403) 5.938 13.282 ( -7.383 -0.000 4.614) 8.706 14.422 ( 13.891 0.000 4.964) 14.751 17.794 ( -13.417 -0.000 -16.939) 21.609 18.445 ( 9.960 0.000 12.785) 16.206 19.350 ( 11.917 0.000 6.649) 13.647 19.614 ( 6.823 0.000 -5.557) 8.799 20.578 ( -17.476 -0.000 -19.977) 26.543 22.854 ( 24.215 0.000 -10.646) 26.452 23.647 ( -5.390 -0.000 3.372) 6.357 23.669 ( 2.197 0.000 14.435) 14.601 ======================= Grid point 590 (292/432) ======================= q-point: (-0.27 -0.36 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.967 ( -26.799 4.262 14.510) 30.772 3.129 ( -30.087 -10.988 2.343) 32.116 3.897 ( -0.074 2.043 -6.960) 7.254 4.176 ( 12.845 0.838 5.742) 14.095 4.284 ( 17.195 7.366 0.029) 18.706 4.452 ( 12.073 -3.751 0.427) 12.650 5.092 ( 5.766 4.337 -6.810) 9.922 5.220 ( -6.908 -3.623 -7.377) 10.737 5.914 ( -13.166 2.238 1.629) 13.454 5.979 ( -5.292 -1.153 6.513) 8.471 6.056 ( -6.308 -6.223 -0.997) 8.917 6.807 ( -4.167 1.209 7.580) 8.734 7.126 ( -1.169 1.636 -4.941) 5.335 7.153 ( -0.980 0.812 -3.781) 3.990 7.614 ( 9.657 1.651 -8.792) 13.163 7.800 ( 14.926 -4.642 7.255) 17.233 8.954 ( -19.167 -3.948 18.623) 27.014 9.240 ( -19.489 -1.413 14.383) 24.263 9.779 ( -11.121 -1.821 -14.381) 18.270 9.973 ( -8.144 5.047 7.720) 12.304 10.554 ( 9.142 0.022 -4.459) 10.171 11.545 ( -10.514 9.012 3.563) 14.299 11.766 ( 11.307 -3.335 -13.729) 18.096 12.459 ( 14.860 -1.696 -0.569) 14.967 12.746 ( -2.214 4.497 16.958) 17.683 13.120 ( -2.751 -8.239 -0.535) 8.702 13.263 ( -1.888 1.032 3.212) 3.866 14.629 ( 14.124 2.685 1.396) 14.445 17.417 ( -12.678 0.165 -17.425) 21.550 18.707 ( 10.012 0.720 10.151) 14.276 19.532 ( 10.354 8.230 3.916) 13.793 19.619 ( -7.181 -0.938 1.005) 7.312 20.203 ( -1.902 -7.627 -22.372) 23.712 22.976 ( 16.366 -1.897 -12.676) 20.788 23.596 ( -5.538 6.877 6.205) 10.792 23.962 ( 9.262 -2.647 17.610) 20.072 ======================= Grid point 591 (293/432) ======================= q-point: (-0.18 -0.36 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( -31.267 -4.214 9.494) 32.947 2.923 ( -26.922 -8.094 3.865) 28.377 3.790 ( -8.686 -1.986 2.707) 9.312 4.263 ( 8.284 10.819 -1.391) 13.697 4.472 ( 11.879 2.511 3.300) 12.582 4.671 ( 14.413 -3.977 1.291) 15.007 4.920 ( -20.156 2.961 5.051) 20.989 5.242 ( 19.851 1.489 -10.347) 22.435 5.702 ( -15.787 5.087 1.135) 16.625 6.033 ( -9.260 -7.772 7.939) 14.463 6.045 ( 2.785 -0.499 0.501) 2.874 6.814 ( -6.145 5.086 5.106) 9.471 6.978 ( -5.565 -0.625 -11.517) 12.807 7.114 ( 5.811 1.244 -3.528) 6.911 7.649 ( 10.470 1.313 -5.183) 11.756 8.042 ( 5.514 -6.687 2.149) 8.930 8.901 ( -22.819 -6.092 10.043) 25.665 9.183 ( -10.006 -6.148 8.498) 14.496 9.591 ( -6.331 -3.761 -3.676) 8.230 9.855 ( -9.948 11.091 5.656) 15.936 10.653 ( 11.004 -1.288 -3.500) 11.619 11.383 ( -9.974 8.013 4.293) 13.495 11.771 ( 10.879 -2.127 -14.237) 18.044 12.620 ( 7.846 -1.791 -1.702) 8.226 12.825 ( -4.882 5.921 12.863) 14.978 13.215 ( -0.580 -10.696 5.081) 11.856 13.289 ( 3.260 1.654 1.349) 3.896 14.768 ( 14.487 6.249 -3.461) 16.153 17.122 ( -8.808 -0.634 -7.407) 11.526 18.903 ( 9.937 0.692 0.566) 9.977 19.386 ( -19.424 2.380 -0.138) 19.570 19.613 ( 10.815 12.136 0.402) 16.261 20.198 ( 9.846 -14.588 -11.211) 20.867 23.058 ( 13.507 -4.203 -10.830) 17.815 23.522 ( -6.827 10.433 7.032) 14.315 24.300 ( 10.161 -0.515 15.520) 18.558 ======================= Grid point 592 (294/432) ======================= q-point: (-0.09 -0.36 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( -28.284 -11.264 10.533) 32.215 2.578 ( -32.245 -4.899 -3.102) 32.763 3.833 ( -5.134 -6.652 13.009) 15.487 4.235 ( 3.579 7.497 -2.028) 8.551 4.585 ( 1.925 5.474 6.487) 8.703 4.688 ( -19.466 4.286 4.345) 20.400 4.926 ( 12.718 -0.859 7.615) 14.848 5.387 ( 20.719 7.012 -7.361) 23.079 5.473 ( -13.659 4.600 2.107) 14.566 6.008 ( -2.870 -0.500 -1.455) 3.256 6.158 ( 1.766 -0.077 9.201) 9.369 6.631 ( -8.810 5.753 -9.746) 14.342 6.788 ( -5.619 -1.325 -7.930) 9.809 7.189 ( 2.888 -0.886 2.868) 4.166 7.748 ( 11.754 1.746 -1.179) 11.942 8.095 ( -4.718 -4.528 -0.720) 6.579 8.751 ( -21.356 -8.408 7.069) 24.015 9.276 ( -1.295 -6.534 7.024) 9.680 9.553 ( -3.213 -6.313 -0.699) 7.118 9.713 ( -5.872 8.195 4.912) 11.215 10.738 ( 5.606 2.275 -2.749) 6.646 11.261 ( -6.514 2.967 2.292) 7.516 11.758 ( 10.550 -0.587 -14.204) 17.703 12.632 ( -3.604 -0.837 -1.910) 4.164 12.845 ( -5.538 1.609 8.773) 10.498 13.303 ( 2.824 4.021 -3.135) 5.828 13.368 ( 3.075 -11.630 1.466) 12.119 14.816 ( 14.124 10.460 -8.415) 19.486 17.082 ( -0.282 0.139 10.601) 10.606 18.861 ( -3.572 -2.370 -14.263) 14.894 19.304 ( 2.005 0.995 8.918) 9.195 19.637 ( 10.092 10.998 -2.902) 15.206 20.318 ( 5.003 -11.546 -5.859) 13.881 23.122 ( 6.935 1.594 -7.038) 10.008 23.423 ( -4.032 7.924 4.772) 10.091 24.556 ( 6.040 1.046 10.202) 11.902 ======================= Grid point 601 (295/432) ======================= q-point: (-0.27 -0.27 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( -32.559 -0.000 2.749) 32.675 2.851 ( -26.819 -0.000 11.974) 29.371 3.773 ( -12.339 -0.000 2.810) 12.655 4.378 ( 7.521 0.000 1.264) 7.626 4.519 ( 14.687 0.000 -2.430) 14.887 4.586 ( 13.866 0.000 0.885) 13.895 4.962 ( -20.443 -0.000 4.817) 21.003 5.248 ( 22.767 0.000 -8.056) 24.150 5.768 ( -17.338 -0.000 2.897) 17.579 5.931 ( -6.549 -0.000 4.961) 8.216 6.048 ( 3.428 0.000 3.602) 4.972 6.857 ( -5.490 -0.000 8.101) 9.786 6.968 ( -4.808 -0.000 -14.173) 14.966 7.132 ( 5.496 0.000 -6.176) 8.267 7.665 ( 9.794 0.000 -4.817) 10.914 7.981 ( 7.804 0.000 1.329) 7.916 8.845 ( -23.140 -0.000 10.909) 25.583 9.125 ( -13.006 -0.000 7.910) 15.223 9.563 ( -6.681 -0.000 -2.119) 7.009 9.958 ( -9.747 -0.000 5.769) 11.327 10.641 ( 11.818 0.000 -4.623) 12.690 11.456 ( -14.511 -0.000 5.025) 15.356 11.744 ( 12.351 0.000 -14.231) 18.844 12.605 ( 9.499 0.000 -1.143) 9.567 12.951 ( -3.078 -0.000 14.872) 15.188 13.047 ( -2.756 -0.000 2.336) 3.613 13.306 ( 3.099 0.000 1.787) 3.577 14.820 ( 14.632 0.000 -2.806) 14.898 17.117 ( -8.840 -0.000 -7.839) 11.815 18.909 ( 9.946 0.000 -0.531) 9.960 19.404 ( -19.700 -0.000 -0.698) 19.712 19.766 ( 7.058 0.000 5.988) 9.256 20.027 ( 13.910 0.000 -15.979) 21.185 23.021 ( 14.342 0.000 -11.462) 18.360 23.615 ( -7.436 -0.000 7.602) 10.634 24.292 ( 11.258 0.000 15.595) 19.234 ======================= Grid point 602 (296/432) ======================= q-point: (-0.18 -0.27 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -29.614 -6.091 8.034) 31.283 2.519 ( -34.233 -1.868 -1.722) 34.327 3.751 ( -12.688 -2.561 21.388) 25.000 4.370 ( 6.551 6.407 -10.184) 13.700 4.650 ( 4.344 2.586 4.651) 6.870 4.706 ( -16.031 -2.083 5.390) 17.041 4.907 ( 11.318 -0.432 9.359) 14.692 5.481 ( 25.012 3.252 -6.971) 26.168 5.553 ( -16.879 4.085 4.120) 17.848 5.962 ( -0.280 -3.549 3.288) 4.846 6.155 ( 3.583 -0.030 7.190) 8.033 6.676 ( -8.925 0.626 -19.649) 21.590 6.796 ( -8.174 1.082 -1.630) 8.405 7.190 ( 7.821 0.490 -0.713) 7.869 7.777 ( 11.712 1.328 1.562) 11.890 8.034 ( -1.209 -2.430 -0.425) 2.747 8.631 ( -23.189 -4.485 4.600) 24.063 9.146 ( -2.042 -5.464 7.661) 9.629 9.503 ( -5.255 -0.759 2.587) 5.906 9.859 ( -8.884 5.912 3.394) 11.198 10.742 ( 10.733 -0.608 -4.431) 11.628 11.316 ( -13.695 2.196 4.107) 14.465 11.754 ( 11.900 -0.190 -12.278) 17.100 12.651 ( 0.937 2.194 -2.255) 3.283 12.921 ( -6.746 7.802 5.004) 11.464 13.139 ( -2.141 -14.160 1.139) 14.366 13.352 ( 3.645 1.483 -1.694) 4.284 14.934 ( 14.590 3.645 -8.084) 17.073 17.084 ( 1.485 0.068 12.401) 12.490 18.832 ( -4.842 -0.976 -17.759) 18.433 19.313 ( 0.539 0.257 8.824) 8.845 19.831 ( 6.188 10.886 0.385) 12.527 20.121 ( 9.285 -10.861 -7.002) 15.912 23.098 ( 14.594 -1.654 -9.417) 17.447 23.576 ( -9.069 6.346 8.546) 13.984 24.559 ( 7.520 -0.264 7.969) 10.960 ======================= Grid point 603 (297/432) ======================= q-point: (-0.09 -0.27 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( -33.242 -4.991 -0.408) 33.617 2.203 ( -25.406 -13.231 14.456) 32.085 3.932 ( -5.550 -3.081 23.632) 24.470 4.266 ( -4.739 6.410 -0.131) 7.973 4.504 ( -16.850 0.702 1.477) 16.929 4.680 ( -1.518 3.137 -1.018) 3.630 5.197 ( 3.872 6.803 14.896) 16.827 5.430 ( -1.475 -1.166 9.070) 9.263 5.631 ( 17.513 10.157 -9.710) 22.453 6.011 ( 4.403 1.618 -1.561) 4.944 6.269 ( -0.593 -1.679 -5.713) 5.984 6.359 ( -6.491 -1.478 -2.470) 7.100 6.678 ( -1.728 -0.045 -3.114) 3.561 7.239 ( 1.009 2.537 -0.171) 2.736 7.926 ( 5.659 5.010 0.299) 7.564 8.019 ( 0.036 0.134 2.274) 2.278 8.499 ( -20.082 -12.667 12.499) 26.832 9.290 ( 3.668 -8.862 2.340) 9.872 9.476 ( -4.617 -0.208 2.737) 5.371 9.755 ( -3.534 4.132 3.492) 6.463 10.784 ( 1.531 5.708 -4.151) 7.222 11.161 ( -9.955 -2.883 -1.125) 10.425 11.759 ( 10.649 2.589 -11.197) 15.668 12.539 ( -8.604 3.460 -1.365) 9.373 12.850 ( -6.135 -1.564 2.509) 6.810 13.179 ( -1.863 -10.193 -8.849) 13.626 13.373 ( 2.693 -2.132 0.615) 3.489 14.946 ( 12.920 7.351 -13.281) 19.934 17.406 ( 13.708 5.283 25.915) 29.789 18.583 ( -3.864 -6.025 -16.198) 17.709 19.483 ( 8.586 1.012 6.934) 11.083 19.792 ( 7.454 9.601 -5.423) 13.310 20.218 ( 1.591 -9.895 -4.503) 10.987 23.181 ( 9.964 3.896 -5.934) 12.234 23.477 ( -7.299 8.350 5.886) 12.556 24.645 ( -1.642 -1.704 -1.397) 2.748 ======================= Grid point 613 (298/432) ======================= q-point: (-0.18 -0.18 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( -36.188 -0.000 -0.667) 36.195 2.074 ( -25.025 -0.000 13.840) 28.597 3.906 ( -10.293 -0.000 31.556) 33.192 4.346 ( 8.681 0.000 -13.768) 16.276 4.489 ( -26.746 -0.000 8.519) 28.069 4.705 ( -2.395 -0.000 -1.776) 2.982 5.252 ( 16.161 0.000 17.638) 23.922 5.424 ( -12.055 -0.000 7.529) 14.213 5.737 ( 19.849 0.000 -7.658) 21.275 6.012 ( 5.807 0.000 -0.430) 5.823 6.232 ( -4.413 -0.000 -17.627) 18.171 6.356 ( -3.560 -0.000 6.477) 7.391 6.680 ( -3.585 -0.000 -4.047) 5.406 7.267 ( 5.584 0.000 -2.859) 6.274 7.980 ( -1.263 -0.000 -4.877) 5.038 8.018 ( 12.702 0.000 10.799) 16.672 8.371 ( -26.056 -0.000 11.069) 28.310 9.198 ( 3.685 0.000 1.869) 4.132 9.483 ( -4.611 -0.000 6.358) 7.854 9.804 ( -6.603 -0.000 1.158) 6.703 10.817 ( 9.551 0.000 -5.118) 10.836 11.150 ( -18.573 -0.000 0.406) 18.578 11.785 ( 11.500 0.000 -9.918) 15.185 12.627 ( -2.606 -0.000 -3.146) 4.085 12.795 ( -13.464 -0.000 -6.703) 15.041 13.055 ( -2.492 -0.000 2.202) 3.325 13.371 ( 2.785 0.000 -2.440) 3.703 15.007 ( 13.168 0.000 -13.686) 18.992 17.454 ( 17.201 0.000 28.362) 33.171 18.528 ( -6.431 -0.000 -17.813) 18.939 19.488 ( 10.381 0.000 7.097) 12.575 19.922 ( -0.410 -0.000 -1.130) 1.203 20.089 ( 7.118 0.000 -8.363) 10.982 23.192 ( 15.854 0.000 -7.953) 17.737 23.582 ( -10.628 -0.000 9.585) 14.312 24.624 ( -1.486 -0.000 -4.740) 4.968 ======================= Grid point 614 (299/432) ======================= q-point: (-0.09 -0.18 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -19.675 -4.257 16.312) 25.910 2.019 ( -18.811 -8.176 20.081) 28.705 4.151 ( 3.292 2.422 15.102) 15.645 4.186 ( -35.620 4.075 21.378) 41.742 4.349 ( 5.782 -3.604 -8.558) 10.939 4.568 ( -6.976 0.079 -8.513) 11.006 5.396 ( -5.615 7.041 12.585) 15.475 5.637 ( 1.532 4.743 6.590) 8.263 5.747 ( 7.533 5.431 0.142) 9.288 5.934 ( -4.515 -9.832 -14.866) 18.386 6.087 ( 9.340 -0.681 -3.596) 10.031 6.541 ( 7.385 5.177 12.369) 15.308 6.681 ( 6.874 -2.944 0.205) 7.480 7.252 ( 0.799 3.887 -4.199) 5.777 7.839 ( -2.034 0.859 -15.531) 15.687 8.188 ( -13.608 7.999 20.487) 25.863 8.398 ( -2.136 -12.454 20.504) 24.085 9.234 ( 0.618 -6.050 -5.497) 8.198 9.541 ( 0.560 5.170 9.291) 10.647 9.767 ( -0.007 -3.271 2.051) 3.861 10.733 ( -17.066 13.616 -5.879) 22.610 10.956 ( -1.377 -12.964 -5.226) 14.045 11.795 ( 8.441 2.624 -9.965) 13.320 12.461 ( -8.181 8.386 -0.737) 11.739 12.674 ( -7.622 -13.337 -2.328) 15.537 13.051 ( -1.591 -2.175 -0.625) 2.766 13.384 ( 2.046 -1.232 -1.445) 2.792 14.959 ( 10.094 3.583 -18.434) 21.319 18.025 ( 21.285 12.972 21.085) 32.648 18.345 ( 5.022 -11.759 -8.921) 15.591 19.677 ( 2.720 9.061 4.295) 10.389 19.860 ( 7.086 -2.803 -4.267) 8.733 20.089 ( 2.646 -5.892 -8.830) 10.940 23.298 ( 12.168 4.371 -5.459) 14.035 23.507 ( -9.622 7.492 6.797) 13.961 24.415 ( -16.053 -5.811 -13.724) 21.905 ======================= Grid point 625 (300/432) ======================= q-point: (-0.09 -0.09 0.31) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 2.285 0.000 28.884) 28.974 2.048 ( -12.222 -0.000 25.978) 28.710 3.964 ( -25.579 -0.000 13.538) 28.941 4.288 ( -8.155 -0.000 -5.339) 9.747 4.416 ( 0.522 0.000 21.412) 21.418 4.424 ( 11.706 0.000 -13.546) 17.904 5.495 ( -11.207 -0.000 -11.527) 16.077 5.511 ( -1.558 -0.000 10.711) 10.823 5.631 ( -5.771 -0.000 -12.446) 13.719 6.006 ( -2.653 -0.000 11.989) 12.279 6.228 ( 9.005 0.000 11.009) 14.222 6.773 ( 10.113 0.000 -1.647) 10.246 6.857 ( 14.921 0.000 9.881) 17.896 7.224 ( 1.184 0.000 -5.590) 5.714 7.604 ( -6.003 -0.000 -13.880) 15.123 8.263 ( -22.092 -0.000 32.180) 39.034 8.634 ( 6.003 0.000 17.668) 18.660 9.116 ( -3.048 -0.000 -6.568) 7.240 9.748 ( 1.246 0.000 -0.413) 1.313 9.755 ( 5.804 0.000 10.834) 12.291 10.420 ( -25.364 -0.000 -2.281) 25.466 10.872 ( 5.701 0.000 -8.184) 9.974 11.755 ( 3.203 0.000 -12.372) 12.780 12.418 ( -5.351 -0.000 -4.137) 6.764 12.536 ( -4.612 -0.000 8.595) 9.754 13.035 ( 1.331 0.000 -0.838) 1.572 13.377 ( 0.926 0.000 -2.028) 2.229 14.852 ( 6.451 0.000 -21.325) 22.279 18.127 ( 2.583 0.000 -12.644) 12.905 18.754 ( 31.480 0.000 17.609) 36.070 19.637 ( -8.764 -0.000 -14.021) 16.534 19.813 ( -10.609 -0.000 4.468) 11.511 20.174 ( 26.098 0.000 -3.685) 26.357 23.423 ( 12.568 0.000 -6.258) 14.040 23.491 ( -11.658 -0.000 7.611) 13.923 23.873 ( -30.681 -0.000 -17.621) 35.381 ======================= Grid point 626 (301/432) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.976 ( 3.531 0.000 15.918) 16.305 3.109 ( -1.123 -0.000 23.225) 23.253 3.817 ( -2.792 -0.000 -3.297) 4.320 4.177 ( 9.856 0.000 -8.504) 13.018 4.257 ( 9.008 0.000 -8.383) 12.305 4.585 ( -7.402 -0.000 -4.208) 8.514 4.837 ( -10.394 -0.000 -9.712) 14.225 4.839 ( -3.400 -0.000 -7.749) 8.462 6.186 ( 6.088 0.000 12.832) 14.203 6.277 ( 1.272 0.000 10.837) 10.912 6.667 ( -7.551 -0.000 -0.750) 7.588 6.801 ( -10.329 -0.000 5.869) 11.880 7.053 ( -1.713 -0.000 -6.251) 6.482 7.223 ( 7.065 0.000 -3.247) 7.775 7.905 ( 7.142 0.000 25.192) 26.185 9.087 ( -12.494 -0.000 -4.970) 13.446 9.143 ( -4.091 -0.000 19.752) 20.171 9.239 ( -2.433 -0.000 13.175) 13.397 9.584 ( 2.375 0.000 -4.172) 4.801 9.953 ( -15.690 -0.000 20.571) 25.871 10.405 ( 3.710 0.000 -17.115) 17.512 10.887 ( 16.513 0.000 16.194) 23.128 11.205 ( 7.736 0.000 -16.368) 18.104 11.870 ( -11.942 -0.000 -12.588) 17.351 12.920 ( -2.218 -0.000 4.783) 5.272 13.074 ( 11.382 0.000 -4.725) 12.324 13.376 ( -2.397 -0.000 6.753) 7.166 14.133 ( 1.824 0.000 -14.215) 14.332 17.912 ( 11.527 0.000 -4.788) 12.482 18.441 ( -14.866 -0.000 -20.736) 25.515 19.546 ( -16.146 -0.000 4.994) 16.900 19.659 ( 12.176 0.000 1.899) 12.323 21.257 ( 32.038 0.000 13.902) 34.924 22.317 ( -31.403 -0.000 -16.199) 35.335 23.392 ( -10.708 -0.000 2.103) 10.913 23.531 ( 11.654 0.000 -3.988) 12.318 ======================= Grid point 627 (302/432) ======================= q-point: ( 0.09 0.00 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( 6.495 1.128 13.118) 14.681 3.302 ( -0.783 -2.152 10.404) 10.653 3.812 ( 3.451 1.716 3.029) 4.902 4.029 ( -3.534 2.160 -15.637) 16.176 4.274 ( 3.857 2.962 -1.972) 5.248 4.612 ( -7.735 -0.076 -6.712) 10.241 4.627 ( 3.189 -3.389 -3.600) 5.883 4.711 ( -0.366 -6.126 -3.439) 7.035 6.350 ( 1.743 5.220 8.326) 9.980 6.440 ( 4.256 -4.040 5.351) 7.942 6.572 ( -7.752 -1.540 2.607) 8.322 6.684 ( -18.535 -1.719 5.690) 19.465 6.947 ( -2.121 0.181 -4.921) 5.362 7.241 ( 1.167 -0.299 -3.227) 3.444 8.268 ( 5.585 8.813 28.459) 30.312 8.662 ( -16.116 19.983 -10.506) 27.738 9.335 ( -13.520 -12.814 17.292) 25.416 9.385 ( 3.331 -3.686 4.975) 7.031 9.582 ( 1.062 -3.815 -4.170) 5.751 10.093 ( -3.249 0.848 24.648) 24.876 10.283 ( 4.674 -2.596 -13.018) 14.073 11.108 ( 4.827 0.138 -16.728) 17.411 11.314 ( 18.622 -1.494 15.267) 24.126 11.601 ( 0.217 3.882 -14.771) 15.274 12.930 ( -3.453 -6.061 -0.734) 7.014 13.180 ( 10.136 -4.465 -4.727) 12.043 13.430 ( -3.870 2.179 10.417) 11.324 13.988 ( 1.305 2.604 -12.491) 12.826 18.023 ( -3.532 1.764 -9.264) 10.071 18.063 ( 2.699 -2.665 -6.722) 7.719 19.392 ( -15.515 1.791 5.044) 16.412 19.765 ( 2.167 0.769 1.287) 2.636 21.706 ( -14.583 8.735 -9.682) 19.563 21.875 ( 20.215 -6.630 7.835) 22.671 23.295 ( -8.380 -2.017 0.652) 8.644 23.644 ( 10.882 -0.837 -2.340) 11.162 ======================= Grid point 628 (303/432) ======================= q-point: ( 0.18 0.00 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.276 ( -4.805 0.488 0.026) 4.830 3.504 ( 11.806 -3.288 7.236) 14.232 3.806 ( -5.114 -0.513 -10.429) 11.626 3.892 ( 4.653 4.605 2.409) 6.975 4.282 ( -1.001 7.198 7.505) 10.448 4.481 ( -7.861 0.074 -0.107) 7.862 4.506 ( 2.882 -7.499 -14.727) 16.775 4.935 ( 9.089 -9.724 6.347) 14.746 6.318 ( -6.898 4.405 2.195) 8.474 6.384 ( -16.665 0.275 -4.171) 17.181 6.580 ( -11.272 -6.303 6.724) 14.560 6.608 ( -2.687 -1.989 6.617) 7.413 6.913 ( 3.176 1.730 -1.609) 3.958 7.201 ( -1.553 -2.126 -3.631) 4.485 8.159 ( -13.532 18.407 -11.633) 25.637 8.537 ( 4.008 16.169 22.477) 27.977 9.333 ( -12.000 -8.056 1.918) 14.580 9.516 ( -5.956 -3.629 9.188) 11.535 9.596 ( -0.991 -3.949 3.014) 5.066 10.217 ( -2.104 -6.428 -4.808) 8.298 10.416 ( 8.008 -3.602 16.258) 18.477 10.946 ( 2.655 5.258 -13.213) 14.466 11.460 ( 14.879 6.087 -15.344) 22.223 11.772 ( 20.349 -1.604 12.374) 23.870 12.923 ( -3.275 -9.109 -3.396) 10.258 13.286 ( 4.599 -8.668 -4.594) 10.834 13.460 ( -6.364 5.172 11.423) 14.062 13.863 ( 4.758 1.442 -11.350) 12.391 17.717 ( -12.164 -1.285 -11.493) 16.784 18.275 ( 13.238 -1.477 7.537) 15.305 19.230 ( -12.511 3.479 2.639) 13.251 19.746 ( -8.308 -1.334 2.491) 8.776 21.224 ( -13.228 6.954 -19.400) 24.489 22.415 ( 24.140 -3.011 16.492) 29.391 23.221 ( -5.008 -1.431 -1.108) 5.325 23.777 ( 10.158 -1.816 0.204) 10.321 ======================= Grid point 629 (304/432) ======================= q-point: (-0.73 0.00 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.181 ( -8.263 -5.847 -3.623) 10.752 3.548 ( -9.261 -4.036 -10.114) 14.295 3.847 ( 11.749 0.135 3.178) 12.172 3.886 ( 3.574 4.758 1.342) 6.100 4.252 ( -2.019 8.642 5.229) 10.301 4.483 ( -0.415 -4.071 1.352) 4.310 4.524 ( 7.623 -4.603 -1.085) 8.970 5.187 ( 6.071 -8.611 6.174) 12.212 6.068 ( -24.462 2.094 -1.007) 24.572 6.207 ( -8.296 2.325 1.712) 8.784 6.488 ( -13.852 -4.885 -2.108) 14.838 6.649 ( -7.435 -2.377 7.356) 10.726 6.924 ( 5.333 2.837 -3.828) 7.151 7.190 ( 1.666 -3.771 -2.203) 4.674 7.761 ( -6.242 13.600 -10.814) 18.462 8.624 ( 2.555 19.705 11.619) 23.018 9.249 ( -11.005 -4.810 0.303) 12.014 9.532 ( -7.627 -10.552 1.624) 13.120 9.651 ( -6.684 3.764 13.052) 15.139 10.117 ( -13.465 -9.612 -6.175) 17.659 10.721 ( 11.706 1.317 6.241) 13.331 10.871 ( 9.841 7.953 0.327) 12.657 11.461 ( 19.705 2.708 -18.255) 26.998 12.163 ( 18.689 0.156 9.011) 20.748 12.936 ( -0.424 -8.741 -2.336) 9.058 13.308 ( -2.105 -7.154 -5.299) 9.148 13.441 ( -8.933 7.440 12.091) 16.774 13.875 ( 10.957 -7.970 -9.050) 16.294 17.470 ( -11.320 0.189 -6.163) 12.890 18.574 ( 12.143 -1.254 12.762) 17.660 19.090 ( -6.015 1.463 -1.266) 6.318 19.642 ( -16.112 -4.574 3.224) 17.057 20.834 ( -2.509 9.092 -18.924) 21.145 22.869 ( 10.546 -6.057 14.178) 18.679 23.168 ( 3.882 4.468 -3.087) 6.676 23.955 ( 9.852 -3.900 4.724) 11.601 ======================= Grid point 630 (305/432) ======================= q-point: (-0.64 0.00 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.086 ( -10.604 -11.324 -6.650) 16.879 3.316 ( -17.378 -1.547 -0.866) 17.468 3.771 ( 0.751 1.600 -8.552) 8.733 4.122 ( 11.316 6.581 8.765) 15.754 4.313 ( 7.217 3.515 10.159) 12.947 4.507 ( 0.699 -10.917 -7.008) 12.992 4.691 ( 8.859 -0.263 4.916) 10.135 5.348 ( -0.723 -2.449 6.038) 6.556 5.728 ( -24.018 2.453 2.033) 24.228 6.121 ( -5.947 0.209 1.408) 6.115 6.289 ( -15.456 -3.538 -2.796) 16.100 6.624 ( -10.654 -4.835 4.074) 12.389 6.911 ( 4.483 2.347 -6.592) 8.310 7.228 ( 1.995 -0.472 0.071) 2.052 7.547 ( 3.991 7.129 -8.383) 11.706 8.551 ( -0.606 18.557 1.433) 18.622 9.143 ( -12.656 -7.073 0.380) 14.503 9.552 ( -5.611 -9.427 2.396) 11.229 9.653 ( -11.599 5.970 15.022) 19.896 9.939 ( -11.636 -4.596 -4.656) 13.349 10.753 ( 8.687 12.382 -4.988) 15.926 11.086 ( 9.177 -0.486 10.101) 13.657 11.484 ( 19.096 1.377 -19.584) 27.388 12.428 ( 12.054 -1.329 1.573) 12.229 12.997 ( 1.866 -4.509 -0.736) 4.935 13.281 ( -0.534 -4.511 -4.373) 6.305 13.410 ( -7.575 6.072 14.257) 17.248 14.031 ( 11.486 -15.165 -7.686) 20.518 17.286 ( -10.092 2.355 1.014) 10.413 18.829 ( 6.768 3.003 5.636) 9.305 19.070 ( 4.539 -5.402 0.260) 7.061 19.493 ( -16.753 -4.741 2.275) 17.559 20.582 ( 3.708 9.096 -13.469) 16.670 23.003 ( -11.077 -11.667 0.807) 16.108 23.263 ( 18.426 12.290 2.977) 22.348 24.211 ( 9.941 -5.888 10.025) 15.297 ======================= Grid point 631 (306/432) ======================= q-point: (-0.55 0.00 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( -16.896 -4.442 -12.627) 21.556 3.164 ( -21.911 0.974 14.841) 26.481 3.725 ( 7.678 -2.862 -8.906) 12.102 4.246 ( 5.756 8.916 6.794) 12.601 4.502 ( 0.611 -4.249 6.361) 7.674 4.574 ( 6.559 -14.763 -5.741) 17.144 4.861 ( 9.964 1.610 6.221) 11.856 5.309 ( -10.873 7.265 6.315) 14.522 5.529 ( -14.873 -5.389 5.497) 16.748 6.031 ( -5.408 1.716 -3.784) 6.820 6.188 ( -6.749 -7.784 3.659) 10.933 6.554 ( -7.885 -3.184 -1.380) 8.614 6.828 ( -2.122 3.305 -6.192) 7.333 7.248 ( 1.876 1.862 0.450) 2.681 7.539 ( 10.986 0.921 -6.121) 12.610 8.356 ( -5.605 13.567 -3.018) 14.986 9.066 ( -12.283 -6.527 4.233) 14.539 9.581 ( -14.396 -0.530 12.859) 19.310 9.611 ( -6.139 -3.881 5.320) 9.003 9.812 ( -1.529 4.344 -3.252) 5.638 10.692 ( 3.466 8.541 -3.103) 9.725 11.263 ( 5.055 1.801 5.069) 7.382 11.473 ( 16.853 2.281 -20.397) 26.556 12.560 ( 5.360 -3.573 -0.874) 6.500 13.008 ( -1.665 -2.611 -1.715) 3.540 13.227 ( -4.883 1.476 -0.427) 5.119 13.504 ( 3.880 3.626 9.158) 10.586 14.225 ( 10.713 -16.846 -7.527) 21.335 17.225 ( -6.077 1.220 10.777) 12.432 18.799 ( 2.669 2.942 -13.901) 14.457 19.256 ( 5.998 -4.609 6.749) 10.137 19.393 ( -4.912 -2.481 2.050) 5.872 20.462 ( 3.588 6.312 -5.587) 9.161 22.942 ( -8.434 -9.845 -2.865) 13.276 23.391 ( 10.376 8.736 1.919) 13.699 24.500 ( 7.447 -5.232 10.584) 13.959 ======================= Grid point 632 (307/432) ======================= q-point: (-0.45 0.00 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( -19.328 3.262 -4.299) 20.068 2.996 ( -23.172 10.384 15.344) 29.668 3.790 ( 9.079 -4.217 -6.021) 11.682 4.299 ( 5.612 1.245 -2.359) 6.214 4.579 ( -2.849 -6.023 2.069) 6.977 4.699 ( -4.636 -10.535 6.091) 13.022 5.074 ( 1.922 -6.323 9.693) 11.731 5.212 ( -0.766 0.088 -0.396) 0.867 5.515 ( -3.412 -0.355 9.691) 10.280 5.943 ( -2.706 -0.647 -0.533) 2.833 6.229 ( -2.480 -5.831 -0.143) 6.338 6.441 ( -2.085 2.900 -5.783) 6.797 6.711 ( -4.466 1.724 -0.123) 4.789 7.248 ( -0.358 1.067 -0.587) 1.269 7.627 ( 11.037 -3.613 -7.921) 14.058 8.169 ( -7.109 6.412 1.730) 9.728 9.024 ( -10.453 -0.781 9.073) 13.863 9.523 ( -18.035 -2.302 14.625) 23.333 9.643 ( -3.155 0.470 2.473) 4.036 9.743 ( 5.667 7.177 -2.595) 9.506 10.643 ( -1.985 0.502 -0.865) 2.223 11.293 ( 2.812 6.084 -3.282) 7.462 11.447 ( 14.574 0.870 -15.608) 21.372 12.601 ( -1.340 -1.342 -0.684) 2.016 12.981 ( -2.196 -1.131 -0.978) 2.656 13.143 ( -4.821 0.276 -1.635) 5.098 13.580 ( 2.845 8.517 4.484) 10.037 14.397 ( 10.309 -14.716 -10.349) 20.735 17.377 ( 0.808 -4.314 19.441) 19.930 18.587 ( 2.023 4.987 -19.895) 20.610 19.403 ( 2.834 -3.245 3.364) 5.466 19.455 ( 8.426 -1.977 -0.502) 8.670 20.411 ( 0.061 4.895 -0.659) 4.939 22.909 ( -5.270 -11.665 -2.510) 13.044 23.443 ( 5.007 5.382 0.578) 7.373 24.686 ( 1.267 -1.891 5.318) 5.784 ======================= Grid point 633 (308/432) ======================= q-point: (-0.36 0.00 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -14.131 9.232 9.088) 19.170 2.780 ( -19.216 16.013 16.337) 29.876 3.870 ( 7.528 -3.078 -4.141) 9.126 4.312 ( 3.418 -0.567 -5.955) 6.890 4.545 ( -7.736 -4.671 -4.929) 10.293 4.754 ( -17.357 -6.438 16.641) 24.893 5.135 ( -2.394 -16.985 -9.017) 19.378 5.345 ( 2.978 -5.134 8.934) 10.726 5.701 ( 15.466 3.958 11.154) 19.475 5.945 ( -4.097 -4.906 1.870) 6.659 6.165 ( -0.227 7.090 -2.716) 7.596 6.393 ( 5.528 -0.770 -4.259) 7.020 6.727 ( -1.102 -1.518 9.463) 9.648 7.202 ( -3.702 -0.291 -2.069) 4.250 7.639 ( 4.855 -3.378 -14.572) 15.726 8.156 ( -4.068 -4.634 10.635) 12.293 9.027 ( -7.092 5.777 15.394) 17.906 9.460 ( -5.432 6.604 0.539) 8.568 9.583 ( -12.776 0.198 12.411) 17.813 9.797 ( 6.934 0.582 0.345) 6.967 10.590 ( -8.531 -4.168 -0.505) 9.509 11.191 ( 4.558 9.700 -9.815) 14.533 11.481 ( 11.067 -1.880 -9.293) 14.573 12.532 ( -6.446 2.060 -1.122) 6.860 12.937 ( -1.532 2.454 -2.380) 3.746 13.073 ( -4.347 -0.225 0.449) 4.376 13.551 ( -0.508 10.743 2.996) 11.164 14.482 ( 8.991 -11.068 -15.494) 21.057 17.713 ( 5.332 -10.365 16.670) 20.341 18.392 ( 8.575 5.645 -13.779) 17.184 19.451 ( -3.128 -7.423 -2.390) 8.402 19.615 ( 18.220 1.692 -2.134) 18.422 20.339 ( -4.154 6.553 0.132) 7.760 22.949 ( -2.671 -14.887 -0.915) 15.152 23.453 ( 1.678 2.189 -0.804) 2.873 24.657 ( -7.584 3.856 -2.513) 8.871 ======================= Grid point 634 (309/432) ======================= q-point: (-0.27 0.00 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( -2.612 10.135 20.364) 22.896 2.649 ( -12.407 15.504 20.665) 28.659 3.942 ( 4.906 -3.705 -2.617) 6.682 4.250 ( -2.853 -0.052 -5.437) 6.140 4.377 ( -7.336 -1.297 -9.076) 11.742 4.771 ( -14.266 -3.767 16.042) 21.796 5.108 ( -0.368 -16.234 -16.801) 23.366 5.528 ( -1.612 -4.695 13.656) 14.530 5.780 ( -4.154 2.289 -11.705) 12.629 6.129 ( 13.606 -2.866 19.573) 24.009 6.153 ( 6.045 8.925 2.211) 11.004 6.505 ( 13.473 -5.057 -1.651) 14.485 6.876 ( -3.994 -3.699 14.449) 15.440 7.135 ( -1.147 -2.040 -2.825) 3.669 7.506 ( 0.933 0.133 -15.392) 15.421 8.337 ( -4.551 -14.980 14.365) 21.247 9.092 ( -5.507 9.399 20.451) 23.171 9.295 ( -0.562 13.044 -5.162) 14.039 9.621 ( -11.224 -5.430 15.406) 19.819 9.904 ( 6.522 -1.664 3.020) 7.377 10.462 ( -15.190 -2.433 0.162) 15.384 11.042 ( 5.600 12.974 -11.106) 17.974 11.520 ( 6.894 -3.481 -10.028) 12.657 12.402 ( -7.826 0.698 -2.023) 8.114 12.866 ( -1.133 7.843 2.207) 8.226 13.033 ( -3.043 0.248 0.149) 3.057 13.477 ( -1.941 9.102 1.846) 9.488 14.466 ( 7.323 -7.929 -19.199) 22.025 17.892 ( 3.104 -5.632 -7.329) 9.750 18.546 ( 20.065 -3.054 9.175) 22.273 19.391 ( -8.398 -9.561 -7.752) 14.901 19.840 ( 22.638 2.009 -3.652) 23.018 20.202 ( -5.996 9.769 1.536) 11.565 23.052 ( -3.414 -18.516 0.264) 18.830 23.433 ( 0.575 0.368 -3.364) 3.433 24.372 ( -16.640 11.279 -7.933) 21.611 ======================= Grid point 635 (310/432) ======================= q-point: (-0.18 0.00 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 4.797 5.136 22.508) 23.579 2.682 ( -6.399 11.178 25.407) 28.485 3.981 ( -1.884 -4.122 0.439) 4.554 4.133 ( -7.875 -3.634 -6.630) 10.917 4.239 ( 8.602 5.549 -9.687) 14.093 4.821 ( -6.594 -1.459 11.507) 13.343 5.014 ( -4.853 -15.344 -16.845) 23.296 5.466 ( -7.734 8.619 -11.680) 16.448 5.749 ( -1.826 -4.454 14.315) 15.102 6.165 ( 2.472 7.904 3.138) 8.856 6.542 ( 11.162 -5.678 13.809) 18.642 6.730 ( 14.724 -1.176 -0.314) 14.774 6.938 ( -7.850 -7.764 6.349) 12.736 7.199 ( 5.975 2.986 2.409) 7.101 7.375 ( 1.868 -3.136 -6.654) 7.590 8.594 ( -7.366 -21.616 17.291) 28.644 9.094 ( -7.654 9.173 6.293) 13.503 9.233 ( 1.647 12.102 13.856) 18.471 9.688 ( -3.670 0.204 7.334) 8.204 10.086 ( 6.715 -5.155 9.134) 12.454 10.255 ( -20.117 -1.489 2.385) 20.313 10.869 ( 5.969 15.837 -11.209) 20.300 11.457 ( 1.724 -2.185 -14.573) 14.836 12.289 ( -8.132 -3.735 -2.929) 9.416 12.844 ( -1.044 9.557 8.926) 13.118 12.996 ( 2.044 1.607 -3.261) 4.171 13.403 ( -2.325 5.338 0.882) 5.889 14.380 ( 5.588 -5.422 -19.547) 21.041 17.858 ( 6.142 -1.934 -11.250) 12.963 18.990 ( 20.224 -8.456 8.676) 23.576 19.208 ( -10.495 -5.665 -13.453) 17.978 19.893 ( -6.045 3.760 -4.432) 8.386 20.277 ( 23.506 6.293 7.726) 25.531 23.122 ( -15.814 -23.488 -1.542) 28.358 23.395 ( 6.927 3.203 -7.375) 10.613 23.913 ( -20.069 17.011 -5.998) 26.984 ======================= Grid point 636 (311/432) ======================= q-point: (-0.09 0.00 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( 4.263 0.680 19.418) 19.892 2.856 ( -3.009 4.947 26.913) 27.529 3.934 ( -8.429 -3.459 -4.946) 10.367 4.070 ( 7.132 -0.407 -0.875) 7.197 4.244 ( 12.401 3.640 -9.691) 16.154 4.796 ( -9.484 -4.398 -8.185) 13.277 4.905 ( -3.402 -6.988 -4.568) 9.015 5.136 ( -9.754 8.821 -11.537) 17.494 5.953 ( 2.448 -2.979 14.835) 15.328 6.183 ( 0.612 5.208 7.232) 8.933 6.736 ( -1.174 -3.311 0.085) 3.514 6.816 ( -5.199 2.110 10.039) 11.501 7.055 ( 8.296 -7.182 -3.971) 11.670 7.183 ( 6.569 5.473 -5.302) 10.060 7.552 ( 5.760 -5.428 16.142) 17.978 8.895 ( -8.142 -26.642 16.951) 32.610 9.039 ( -4.011 3.977 9.416) 10.981 9.300 ( -1.548 18.050 15.955) 24.141 9.658 ( -0.543 5.352 -3.763) 6.564 10.027 ( -21.469 3.102 11.532) 24.566 10.383 ( 7.651 -17.601 2.733) 19.386 10.700 ( 7.655 18.710 -4.595) 20.731 11.314 ( 3.392 -0.715 -16.251) 16.617 12.137 ( -12.235 -3.727 -7.641) 14.899 12.877 ( -0.826 5.998 9.770) 11.494 13.004 ( 8.577 2.221 -4.439) 9.910 13.359 ( -2.345 1.264 2.156) 3.427 14.264 ( 3.638 -2.907 -17.140) 17.762 17.853 ( 9.211 -0.685 -8.707) 12.693 18.863 ( -14.619 -3.425 -20.521) 25.427 19.399 ( 19.079 -3.279 5.198) 20.044 19.710 ( -13.853 2.123 1.798) 14.130 20.713 ( 31.114 2.050 10.335) 32.849 22.871 ( -31.991 -11.081 -12.642) 36.139 23.433 ( 12.378 1.651 -5.606) 13.688 23.551 ( -13.528 8.862 1.706) 16.262 ======================= Grid point 638 (312/432) ======================= q-point: ( 0.09 0.09 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.287 ( -4.963 -0.000 -3.054) 5.827 3.468 ( 10.643 0.000 8.049) 13.343 3.798 ( -6.226 -0.000 -10.196) 11.946 3.945 ( 8.068 0.000 3.092) 8.640 4.373 ( 0.391 0.000 10.791) 10.798 4.410 ( -5.038 -0.000 -16.144) 16.911 4.494 ( -3.120 -0.000 -0.562) 3.170 4.827 ( 8.368 0.000 5.754) 10.156 6.384 ( -11.960 -0.000 -5.906) 13.339 6.387 ( -7.809 -0.000 0.401) 7.819 6.498 ( -16.222 -0.000 9.788) 18.947 6.595 ( -0.706 -0.000 7.620) 7.653 6.931 ( 4.400 0.000 -0.599) 4.441 7.180 ( -2.759 -0.000 -4.806) 5.542 8.333 ( -17.822 -0.000 -16.831) 24.514 8.683 ( 0.004 0.000 28.931) 28.931 9.247 ( -10.174 -0.000 9.776) 14.110 9.475 ( -1.384 -0.000 -9.115) 9.219 9.573 ( 0.595 0.000 14.046) 14.058 10.136 ( -2.137 -0.000 -13.687) 13.853 10.404 ( 6.691 0.000 22.925) 23.881 10.987 ( 7.056 0.000 -14.848) 16.439 11.535 ( 14.032 0.000 -16.805) 21.893 11.752 ( 19.473 0.000 16.728) 25.671 12.837 ( -2.768 -0.000 -3.067) 4.131 13.205 ( 5.864 0.000 -5.992) 8.384 13.504 ( -6.448 -0.000 11.873) 13.511 13.878 ( 2.551 0.000 -12.576) 12.832 17.706 ( -11.925 -0.000 -11.358) 16.468 18.262 ( 13.438 0.000 7.315) 15.300 19.263 ( -13.549 -0.000 3.622) 14.025 19.731 ( -10.722 -0.000 2.501) 11.009 21.285 ( -11.867 -0.000 -21.826) 24.844 22.386 ( 22.373 0.000 19.071) 29.399 23.210 ( -3.220 -0.000 -0.305) 3.235 23.761 ( 10.500 0.000 -0.934) 10.542 ======================= Grid point 639 (313/432) ======================= q-point: (-0.82 0.09 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.120 ( -8.276 -1.542 -9.912) 13.004 3.469 ( -8.592 -3.552 -9.550) 13.329 3.853 ( 13.559 0.258 5.865) 14.776 4.013 ( 3.868 9.060 -1.659) 9.990 4.226 ( -0.593 -9.337 -10.261) 13.886 4.497 ( 0.488 3.904 4.796) 6.204 4.525 ( -0.084 3.312 17.088) 17.406 5.011 ( 4.153 -9.346 4.908) 11.344 6.107 ( -21.849 1.648 1.009) 21.934 6.259 ( -8.549 3.216 -0.402) 9.143 6.407 ( -10.995 -4.005 -1.054) 11.749 6.623 ( -9.876 -0.858 7.691) 12.547 6.993 ( 5.811 4.734 -1.066) 7.571 7.112 ( 1.609 -4.991 -4.982) 7.233 7.924 ( -11.955 5.217 -14.384) 19.417 8.887 ( -5.728 9.784 19.937) 22.935 9.229 ( -8.579 1.504 6.319) 10.761 9.384 ( -1.759 -6.061 -6.042) 8.737 9.695 ( -5.109 1.446 13.649) 14.645 9.921 ( -11.218 -9.470 -13.655) 20.049 10.753 ( 11.399 1.926 17.330) 20.833 10.983 ( 15.563 3.307 -9.706) 18.637 11.536 ( 19.526 4.418 -18.719) 27.407 12.168 ( 17.079 0.104 12.243) 21.014 12.813 ( 1.462 -4.616 -1.327) 5.021 13.187 ( -0.691 -5.076 -6.907) 8.600 13.528 ( -9.452 2.761 12.418) 15.849 13.795 ( 6.622 -2.087 -12.363) 14.179 17.472 ( -10.409 0.046 -4.654) 11.402 18.559 ( 13.132 -0.503 13.585) 18.901 19.121 ( -9.753 1.502 -0.517) 9.881 19.578 ( -17.948 -2.473 3.210) 18.400 20.941 ( -1.024 3.388 -21.651) 21.938 22.777 ( 2.157 -3.361 14.018) 14.575 23.252 ( 12.293 3.487 3.191) 13.170 23.898 ( 9.687 -2.235 0.957) 9.987 ======================= Grid point 640 (314/432) ======================= q-point: (-0.73 0.09 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( -7.986 -7.220 -11.199) 15.535 3.264 ( -12.802 -3.848 -5.237) 14.357 3.826 ( -0.375 4.724 -10.903) 11.888 4.168 ( 14.449 -0.622 5.869) 15.608 4.281 ( 2.725 -8.576 0.103) 8.999 4.496 ( -2.912 10.325 7.815) 13.272 4.705 ( 3.317 2.157 13.909) 14.460 5.180 ( -3.117 -14.637 4.835) 15.727 5.841 ( -18.905 8.130 5.600) 21.327 6.119 ( -7.443 -0.144 -2.425) 7.830 6.242 ( -13.974 -2.393 -3.484) 14.599 6.559 ( -14.004 -2.928 7.765) 16.279 6.969 ( 4.379 4.289 -6.045) 8.608 7.183 ( 4.815 -4.128 -0.843) 6.398 7.645 ( -2.497 3.860 -10.657) 11.606 8.850 ( -7.155 16.175 7.011) 19.025 9.103 ( -11.305 2.761 0.511) 11.648 9.395 ( -1.191 -9.110 -0.609) 9.208 9.710 ( -13.901 -6.124 -0.736) 15.208 9.769 ( -9.185 -5.869 7.368) 13.156 10.974 ( 13.567 11.801 -0.592) 17.991 11.127 ( 14.051 2.798 6.181) 15.603 11.534 ( 20.536 4.740 -20.266) 29.239 12.412 ( 8.577 -0.837 1.212) 8.703 12.929 ( 6.543 -2.432 1.415) 7.122 13.148 ( -0.405 -9.739 -4.665) 10.806 13.511 ( -10.532 4.837 14.271) 18.384 13.819 ( 9.700 -9.394 -10.628) 17.185 17.319 ( -10.059 1.443 1.997) 10.357 18.875 ( 6.908 2.285 12.135) 14.149 19.008 ( 0.562 -2.066 -1.998) 2.929 19.418 ( -14.936 -3.798 2.884) 15.678 20.699 ( 3.358 4.853 -17.805) 18.757 22.830 ( -11.508 -7.745 3.175) 14.230 23.484 ( 18.256 12.422 7.372) 23.280 24.094 ( 9.320 -7.606 5.618) 13.277 ======================= Grid point 641 (315/432) ======================= q-point: (-0.64 0.09 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( -7.868 -6.267 -11.610) 15.361 3.133 ( -14.016 -3.865 8.297) 16.740 3.695 ( 3.439 -0.814 -11.060) 11.611 4.292 ( -2.680 -12.666 -7.906) 15.170 4.435 ( 5.105 10.564 11.743) 16.600 4.485 ( 0.491 -0.787 7.499) 7.556 4.873 ( 1.797 0.168 10.447) 10.602 5.271 ( -6.845 -10.529 4.328) 13.283 5.600 ( -15.588 11.876 7.255) 20.896 6.040 ( -12.014 -0.728 -0.561) 12.049 6.067 ( -2.870 -6.363 -1.115) 7.068 6.510 ( -7.987 -1.935 4.936) 9.587 6.883 ( -2.709 3.097 -6.072) 7.335 7.245 ( 2.529 -1.673 -1.198) 3.260 7.555 ( 6.419 0.382 -7.809) 10.116 8.588 ( -13.313 14.192 -3.911) 19.848 9.007 ( -7.640 0.548 6.442) 10.008 9.471 ( 0.559 -9.720 -0.330) 9.741 9.559 ( -14.444 -8.317 -0.842) 16.688 9.803 ( -9.403 -0.324 12.740) 15.838 10.958 ( 9.919 20.356 -3.599) 22.928 11.334 ( 10.938 4.725 5.114) 12.966 11.522 ( 19.321 3.865 -21.212) 28.952 12.498 ( 4.421 -3.559 -1.816) 5.959 12.937 ( -2.794 -4.968 -4.327) 7.156 13.225 ( 0.775 -2.376 -0.889) 2.652 13.564 ( 0.030 3.689 14.492) 14.954 13.946 ( 9.747 -15.573 -7.855) 19.981 17.245 ( -8.776 1.066 9.306) 12.836 18.819 ( -1.167 -0.213 -12.413) 12.469 19.232 ( 9.072 1.003 12.136) 15.185 19.352 ( -3.073 -2.280 2.761) 4.719 20.538 ( 2.624 3.065 -11.360) 12.055 22.753 ( -13.439 -10.483 -0.242) 17.046 23.620 ( 12.699 16.353 3.045) 20.927 24.375 ( 7.414 -9.775 9.456) 15.489 ======================= Grid point 642 (316/432) ======================= q-point: (-0.55 0.09 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( -8.540 3.001 -3.995) 9.894 3.101 ( -17.243 2.409 16.740) 24.153 3.704 ( 10.556 -6.749 -8.850) 15.339 4.224 ( -5.965 -9.278 -6.375) 12.739 4.476 ( -8.038 -4.973 5.788) 11.083 4.644 ( 8.608 2.506 6.375) 11.001 4.936 ( -14.858 -8.453 6.293) 18.215 5.265 ( -2.030 4.683 2.289) 5.594 5.532 ( -0.496 2.346 13.130) 13.347 5.907 ( -10.124 -3.417 1.035) 10.735 6.144 ( 2.960 -4.065 3.002) 5.856 6.482 ( -0.624 1.989 -0.834) 2.245 6.734 ( -7.328 0.682 -3.457) 8.131 7.246 ( -1.153 -0.993 -2.139) 2.625 7.575 ( 7.041 -2.867 -7.903) 10.966 8.269 ( -15.113 5.934 -2.419) 16.416 9.017 ( -4.770 1.549 10.376) 11.524 9.439 ( -12.156 -10.824 -0.152) 16.277 9.588 ( 2.146 -3.393 4.127) 5.758 9.813 ( -8.924 0.650 9.882) 13.331 10.837 ( 4.162 21.759 -1.719) 22.220 11.441 ( 10.670 9.620 -0.647) 14.381 11.478 ( 16.293 3.043 -20.954) 26.717 12.555 ( 0.655 -3.796 -0.201) 3.857 12.910 ( -1.537 -6.671 -3.619) 7.743 13.172 ( -6.825 2.206 1.433) 7.315 13.690 ( 4.417 4.581 5.247) 8.248 14.131 ( 9.479 -16.209 -6.365) 19.827 17.312 ( -4.448 -3.332 16.527) 17.436 18.628 ( 0.743 0.103 -19.570) 19.584 19.403 ( 3.894 3.606 5.340) 7.529 19.444 ( 11.122 -0.147 2.014) 11.304 20.451 ( -0.473 0.166 -4.567) 4.594 22.675 ( -13.050 -13.701 -0.032) 18.921 23.638 ( 8.882 15.633 -0.047) 17.980 24.609 ( 1.498 -7.420 7.013) 10.319 ======================= Grid point 643 (317/432) ======================= q-point: (-0.45 0.09 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( -5.591 11.705 9.253) 15.934 3.006 ( -17.510 10.831 17.210) 26.835 3.822 ( 8.789 -3.990 -3.066) 10.128 4.183 ( -6.164 -12.668 -3.526) 14.523 4.444 ( -8.624 -7.364 -1.959) 11.508 4.756 ( -2.190 5.022 4.727) 7.237 4.848 ( -9.203 -16.370 -1.183) 18.817 5.294 ( 0.180 -0.548 8.283) 8.303 5.760 ( 8.609 1.125 16.647) 18.775 5.840 ( -6.940 -4.791 -1.091) 8.504 6.237 ( 3.623 2.319 4.158) 5.983 6.441 ( 6.418 4.732 -6.412) 10.232 6.670 ( -6.356 -5.013 5.906) 10.020 7.183 ( -5.689 -1.890 -2.968) 6.689 7.572 ( 3.580 -4.355 -10.542) 11.955 8.086 ( -11.754 -3.894 3.270) 12.807 9.089 ( -2.700 2.833 13.468) 14.025 9.408 ( -10.732 -8.783 6.478) 15.307 9.660 ( 1.996 3.378 0.648) 3.977 9.797 ( -7.477 -0.566 8.129) 11.059 10.689 ( -0.685 17.207 1.229) 17.265 11.376 ( 16.193 9.468 -21.129) 28.254 11.499 ( 9.116 5.956 -2.951) 11.282 12.549 ( -4.615 -0.478 -0.432) 4.660 12.915 ( -0.027 -4.442 -2.398) 5.048 13.089 ( -6.654 1.898 3.450) 7.732 13.710 ( 0.932 7.160 1.437) 7.362 14.274 ( 7.535 -13.126 -10.356) 18.339 17.550 ( 0.635 -9.004 18.187) 20.304 18.431 ( 5.632 -0.846 -19.931) 20.729 19.416 ( -1.212 3.445 -0.384) 3.673 19.646 ( 19.591 1.751 -1.100) 19.700 20.397 ( -3.500 0.414 -1.024) 3.671 22.654 ( -12.011 -17.552 1.929) 21.356 23.604 ( 6.921 13.439 -2.197) 15.275 24.667 ( -6.612 -2.684 0.804) 7.182 ======================= Grid point 644 (318/432) ======================= q-point: (-0.36 0.09 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( -0.661 14.842 19.037) 24.148 2.905 ( -13.124 14.292 19.775) 27.704 3.904 ( 2.243 -1.383 1.092) 2.852 4.149 ( -10.996 -10.237 -1.630) 15.112 4.342 ( -4.405 -4.793 -7.110) 9.640 4.726 ( -4.691 -6.166 2.006) 8.003 4.871 ( 2.381 -7.155 -10.044) 12.559 5.456 ( -0.131 -3.615 15.999) 16.403 5.744 ( -8.868 -5.994 -6.371) 12.457 6.086 ( 10.830 -1.431 17.004) 20.211 6.301 ( 6.058 7.764 3.417) 10.424 6.470 ( 10.918 1.339 -2.010) 11.182 6.763 ( -6.318 -9.837 11.142) 16.150 7.090 ( -4.619 -3.376 -2.824) 6.381 7.499 ( 1.263 -1.143 -11.446) 11.572 8.096 ( -8.758 -13.880 7.502) 18.045 9.192 ( -3.517 3.594 15.528) 16.322 9.463 ( -3.990 -4.736 9.376) 11.237 9.572 ( -4.667 9.835 0.597) 10.902 9.835 ( -6.114 -4.910 7.937) 11.157 10.572 ( -1.897 14.301 3.952) 14.958 11.254 ( 15.040 10.922 -20.580) 27.731 11.513 ( 6.707 4.733 -5.941) 10.133 12.431 ( -9.127 1.899 -2.587) 9.675 12.928 ( 0.847 -0.133 0.873) 1.224 13.052 ( -3.926 1.895 4.188) 6.045 13.644 ( -2.204 9.402 1.060) 9.715 14.306 ( 5.224 -10.596 -15.283) 19.317 17.784 ( 2.459 -7.063 2.393) 7.853 18.433 ( 12.460 -10.271 -4.526) 16.770 19.324 ( -4.686 1.873 -4.385) 6.685 19.872 ( 19.514 1.655 -3.445) 19.885 20.329 ( -1.216 5.106 0.314) 5.258 22.691 ( -12.650 -21.276 3.402) 24.985 23.551 ( 6.575 11.020 -4.274) 13.526 24.497 ( -14.660 3.757 -5.142) 15.983 ======================= Grid point 645 (319/432) ======================= q-point: (-0.27 0.09 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 2.081 10.676 20.278) 23.011 2.898 ( -8.880 13.600 24.087) 29.052 3.926 ( -6.298 -2.567 3.831) 7.806 4.052 ( -4.762 -5.523 -5.404) 9.076 4.295 ( 5.408 0.040 -5.859) 7.973 4.744 ( -1.511 -15.133 -13.088) 20.064 4.825 ( 0.834 1.023 -0.831) 1.559 5.550 ( -10.002 0.560 -9.621) 13.890 5.682 ( -0.878 -2.769 18.650) 18.875 6.311 ( 1.657 8.328 5.158) 9.935 6.440 ( 11.764 -5.577 8.654) 15.632 6.666 ( 15.155 -5.175 2.185) 16.163 6.840 ( -11.489 -5.360 10.728) 16.608 7.136 ( 3.876 -8.889 3.539) 10.323 7.376 ( 0.348 2.556 -10.007) 10.334 8.232 ( -9.125 -21.493 10.117) 25.447 9.245 ( -9.723 6.709 12.145) 16.943 9.431 ( 6.460 14.032 0.920) 15.475 9.641 ( -7.445 -7.075 19.417) 21.966 9.886 ( -7.358 -9.572 6.823) 13.868 10.472 ( -1.452 18.275 4.615) 18.905 11.117 ( 13.548 13.544 -17.842) 26.179 11.436 ( 2.102 1.544 -12.710) 12.975 12.255 ( -10.987 -0.506 -3.669) 11.594 12.964 ( 0.736 3.554 6.001) 7.013 13.042 ( 1.442 4.256 1.635) 4.782 13.533 ( -4.136 9.533 1.004) 10.440 14.254 ( 3.733 -9.296 -17.597) 20.249 17.815 ( 6.044 -2.989 -9.322) 11.505 18.734 ( 7.468 -19.764 2.821) 21.315 19.196 ( 0.075 2.959 -5.409) 6.166 19.929 ( -3.226 0.389 -5.962) 6.790 20.413 ( 21.761 9.126 4.918) 24.105 22.723 ( -17.333 -22.854 1.749) 28.736 23.503 ( 8.176 8.684 -5.984) 13.344 24.138 ( -19.354 9.917 -6.964) 22.835 ======================= Grid point 646 (320/432) ======================= q-point: (-0.18 0.09 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.773 ( 2.848 4.169 17.797) 18.499 2.986 ( -6.463 9.705 25.534) 28.070 3.859 ( -8.830 -4.761 -1.592) 10.157 4.052 ( 6.665 -1.467 -3.605) 7.718 4.322 ( 10.582 4.154 -6.238) 12.967 4.633 ( -5.419 -12.559 -14.362) 19.833 4.851 ( 1.355 -0.620 -1.213) 1.921 5.267 ( -11.530 5.433 -10.428) 16.469 5.905 ( 0.493 -1.614 18.075) 18.154 6.310 ( 1.723 8.985 5.220) 10.533 6.656 ( 2.211 -6.128 2.345) 6.924 6.847 ( -8.256 0.437 9.656) 12.712 6.930 ( 13.167 -6.461 -0.453) 14.674 7.264 ( 2.034 3.865 -6.279) 7.649 7.382 ( 4.180 -14.091 13.538) 19.983 8.436 ( -9.381 -27.624 9.989) 30.836 9.158 ( -7.356 9.072 9.597) 15.116 9.494 ( 5.057 7.836 8.329) 12.504 9.767 ( -9.969 4.829 18.951) 21.951 9.982 ( -7.531 -12.856 4.939) 15.697 10.334 ( -0.021 16.160 2.525) 16.356 10.988 ( 12.501 16.030 -11.052) 23.139 11.296 ( 4.246 -1.027 -16.343) 16.917 12.058 ( -13.705 -4.369 -7.320) 16.139 13.013 ( -0.780 7.472 9.669) 12.244 13.069 ( 8.922 5.487 -1.525) 10.585 13.415 ( -4.849 6.005 0.835) 7.763 14.171 ( 2.660 -8.110 -16.529) 18.603 17.831 ( 9.412 -1.796 -8.183) 12.601 18.753 ( -13.195 -9.562 -12.480) 20.525 19.323 ( 16.798 -4.819 2.833) 17.704 19.749 ( -11.834 1.669 -2.828) 12.281 20.780 ( 29.924 5.889 9.184) 31.851 22.608 ( -25.151 -18.041 -5.479) 31.434 23.495 ( 10.413 5.565 -5.756) 13.135 23.736 ( -17.433 11.219 -3.409) 21.010 ======================= Grid point 647 (321/432) ======================= q-point: (-0.09 0.09 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.981 ( 3.003 0.594 15.483) 15.783 3.149 ( -2.053 4.565 21.959) 22.522 3.787 ( -2.997 -3.015 -1.980) 4.690 4.111 ( 6.078 -4.658 -7.418) 10.662 4.307 ( 6.399 1.102 -13.194) 14.705 4.562 ( -0.124 -0.862 1.195) 1.479 4.795 ( -1.697 -0.013 -9.578) 9.727 4.950 ( -10.904 6.821 -8.846) 15.610 6.139 ( 2.964 -2.924 15.227) 15.786 6.349 ( 2.996 6.290 7.672) 10.363 6.662 ( -5.620 -0.752 -0.057) 5.670 6.814 ( -9.809 1.503 5.606) 11.397 7.029 ( 0.080 -2.495 -4.390) 5.050 7.236 ( 4.904 1.339 -3.262) 6.041 7.787 ( 7.048 -13.526 23.077) 27.661 8.640 ( -11.037 -30.988 3.628) 33.094 9.186 ( -0.855 4.137 14.587) 15.187 9.567 ( 2.448 10.997 6.834) 13.176 9.687 ( -9.681 17.194 0.929) 19.753 9.941 ( -14.960 -1.572 18.361) 23.736 10.343 ( 5.842 -3.126 -7.467) 9.983 11.003 ( 15.800 11.387 5.568) 20.256 11.204 ( 8.634 -0.161 -16.412) 18.545 11.809 ( -12.904 -6.123 -12.315) 18.859 13.015 ( -2.044 9.800 5.304) 11.329 13.129 ( 11.230 6.220 -2.968) 13.176 13.365 ( -3.670 -0.822 5.209) 6.425 14.084 ( 1.699 -5.881 -14.008) 15.287 17.906 ( 11.464 -0.718 -4.302) 12.266 18.429 ( -14.368 -1.368 -17.982) 23.058 19.514 ( -10.713 -3.937 3.609) 11.971 19.648 ( 8.156 -1.310 0.634) 8.284 21.270 ( 29.981 1.688 13.489) 32.919 22.248 ( -27.835 -7.538 -13.786) 31.963 23.451 ( -11.704 6.381 0.269) 13.333 23.552 ( 10.440 2.385 -3.883) 11.392 ======================= Grid point 650 (322/432) ======================= q-point: ( 0.18 0.18 -0.62) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( -7.538 -0.000 -13.218) 15.216 3.225 ( -10.900 -0.000 -6.520) 12.701 3.885 ( 0.245 0.000 -16.115) 16.117 4.129 ( 2.490 0.000 -0.875) 2.639 4.217 ( 12.620 0.000 9.646) 15.885 4.600 ( -4.274 -0.000 12.569) 13.276 4.772 ( 3.650 0.000 17.125) 17.509 4.992 ( -6.461 -0.000 2.708) 7.006 5.921 ( -13.518 -0.000 6.215) 14.878 6.119 ( -11.688 -0.000 -4.578) 12.552 6.216 ( -11.887 -0.000 -3.521) 12.398 6.533 ( -15.478 -0.000 9.497) 18.160 7.023 ( 2.565 0.000 -7.557) 7.980 7.129 ( 7.157 0.000 0.647) 7.186 7.675 ( -4.778 -0.000 -11.986) 12.904 9.005 ( -12.610 -0.000 15.407) 19.910 9.188 ( -11.180 -0.000 2.146) 11.384 9.287 ( 1.169 0.000 -5.578) 5.700 9.552 ( -10.145 -0.000 -14.841) 17.977 9.775 ( -9.407 -0.000 16.188) 18.723 11.094 ( 11.001 0.000 13.675) 17.551 11.133 ( 20.172 0.000 -7.875) 21.655 11.594 ( 21.594 0.000 -21.513) 30.481 12.401 ( 5.341 0.000 2.137) 5.753 12.927 ( 13.884 0.000 6.290) 15.242 13.034 ( -5.274 -0.000 -8.477) 9.984 13.554 ( -11.269 -0.000 14.684) 18.509 13.738 ( 8.678 0.000 -12.553) 15.260 17.331 ( -10.012 -0.000 2.359) 10.286 18.895 ( 8.578 0.000 15.752) 17.936 18.994 ( -2.903 -0.000 -4.048) 4.981 19.383 ( -13.891 -0.000 3.097) 14.232 20.740 ( 3.224 0.000 -19.514) 19.779 22.764 ( -11.567 -0.000 3.551) 12.099 23.610 ( 19.037 0.000 12.916) 23.005 24.010 ( 8.189 0.000 0.693) 8.218 ======================= Grid point 651 (323/432) ======================= q-point: (-0.73 0.18 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( -2.189 -2.844 -9.714) 10.356 3.068 ( -9.093 -2.737 1.305) 9.585 3.697 ( 0.604 0.681 -14.570) 14.598 4.126 ( -3.231 -5.818 -3.437) 7.490 4.468 ( 6.544 -0.236 7.900) 10.261 4.620 ( -11.475 7.875 14.789) 20.307 4.884 ( -5.976 1.655 7.418) 9.669 5.081 ( 2.325 -9.885 11.436) 15.294 5.802 ( -13.076 11.000 1.872) 17.190 5.961 ( -4.375 -7.111 -0.339) 8.356 6.021 ( -14.356 -0.976 0.531) 14.399 6.490 ( -7.072 -0.553 7.716) 10.481 6.924 ( -5.224 1.499 -6.388) 8.387 7.213 ( 4.510 -1.456 -1.317) 4.919 7.552 ( 3.962 -0.327 -9.275) 10.091 8.819 ( -19.090 12.158 -4.767) 23.129 9.062 ( -8.468 4.412 10.005) 13.830 9.243 ( -7.301 -14.616 -8.819) 18.567 9.432 ( 2.557 -4.772 -1.939) 5.751 9.822 ( -13.058 1.174 18.089) 22.341 11.252 ( 14.482 12.571 -1.072) 19.207 11.366 ( 12.696 -1.678 3.069) 13.169 11.601 ( 22.126 4.263 -23.221) 32.357 12.446 ( 1.723 -2.265 -0.612) 2.911 12.870 ( -5.867 -2.441 -6.927) 9.401 13.171 ( 8.047 -2.675 1.411) 8.596 13.619 ( -3.439 2.571 17.061) 17.593 13.747 ( 8.899 -7.210 -9.959) 15.178 17.258 ( -10.385 0.425 8.506) 13.431 18.810 ( -3.393 -0.454 -12.022) 12.500 19.258 ( 10.061 1.316 16.427) 19.308 19.322 ( -1.178 -1.151 3.208) 3.606 20.569 ( 2.020 0.854 -15.570) 15.724 22.629 ( -14.075 -3.892 0.386) 14.608 23.892 ( 11.967 14.992 8.395) 20.939 24.183 ( 7.435 -12.362 5.213) 15.338 ======================= Grid point 652 (324/432) ======================= q-point: (-0.64 0.18 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( 1.814 2.844 -1.632) 3.747 3.085 ( -7.580 -3.820 13.824) 16.222 3.593 ( 6.581 -4.906 -13.179) 15.526 4.071 ( -6.030 -7.759 -5.021) 11.035 4.442 ( -16.668 1.005 7.732) 18.401 4.650 ( -9.872 -4.207 10.887) 15.286 4.866 ( -3.319 1.259 1.804) 3.982 5.308 ( 3.437 -0.132 8.811) 9.458 5.607 ( -6.763 6.321 8.164) 12.343 5.853 ( -9.512 -2.407 0.068) 9.812 6.082 ( 1.304 -3.547 10.044) 10.731 6.508 ( 1.034 1.135 1.562) 2.190 6.733 ( -11.468 -0.542 -5.577) 12.764 7.227 ( -0.365 -1.061 -3.130) 3.325 7.531 ( 4.700 -2.206 -8.141) 9.655 8.384 ( -20.419 7.942 -7.950) 23.307 9.069 ( -6.394 2.814 12.270) 14.119 9.186 ( -4.911 -15.427 -7.092) 17.675 9.549 ( 6.233 -1.844 4.834) 8.101 9.828 ( -15.707 1.284 17.457) 23.519 11.234 ( 8.125 22.163 -2.444) 23.731 11.500 ( 12.983 1.093 -11.800) 17.578 11.607 ( 20.742 7.456 -12.643) 25.410 12.489 ( 0.807 -3.790 0.369) 3.892 12.787 ( -3.535 -7.090 -3.303) 8.584 13.194 ( -4.875 0.383 0.806) 4.956 13.724 ( 6.357 -0.941 -2.909) 7.054 13.908 ( 7.029 -8.599 5.548) 12.415 17.269 ( -8.085 -1.767 14.528) 16.720 18.612 ( -0.523 -1.338 -19.489) 19.542 19.435 ( 12.174 -0.198 2.398) 12.410 19.496 ( 5.560 5.384 10.748) 13.245 20.432 ( -0.900 -1.873 -9.962) 10.177 22.495 ( -14.295 -7.551 0.635) 16.180 23.919 ( 6.921 17.407 1.818) 18.820 24.444 ( 2.535 -12.235 7.212) 14.427 ======================= Grid point 653 (325/432) ======================= q-point: (-0.55 0.18 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 3.143 11.605 9.804) 15.514 3.147 ( -12.284 6.183 18.549) 23.091 3.686 ( 14.045 -12.318 -7.857) 20.267 3.999 ( -8.147 -7.678 -2.149) 11.399 4.325 ( -13.225 -6.009 2.380) 14.719 4.576 ( -22.260 -14.243 2.573) 26.552 4.862 ( 6.574 4.473 -1.672) 8.126 5.344 ( -3.853 5.955 10.377) 12.570 5.700 ( -7.852 -3.258 11.318) 14.155 5.852 ( 6.877 1.872 6.779) 9.836 6.250 ( 2.662 -0.713 10.242) 10.606 6.502 ( 7.205 0.824 -10.580) 12.827 6.587 ( -11.169 -3.069 6.167) 13.123 7.149 ( -6.727 -1.861 -4.217) 8.154 7.503 ( 1.673 -3.705 -7.980) 8.956 8.038 ( -15.999 -1.400 -4.831) 16.771 9.122 ( -5.253 -1.512 11.280) 12.535 9.220 ( -1.305 -9.337 1.365) 9.526 9.700 ( 6.466 2.028 6.232) 9.206 9.798 ( -16.748 0.645 15.706) 22.969 11.067 ( 3.743 24.648 -4.067) 25.260 11.453 ( 14.250 2.190 -22.218) 26.486 11.689 ( 17.380 13.181 -3.847) 22.150 12.518 ( -2.517 -3.022 0.336) 3.947 12.811 ( -0.674 -7.568 0.430) 7.610 13.118 ( -7.374 1.188 2.673) 7.933 13.755 ( 4.518 -2.407 -6.360) 8.164 14.096 ( 4.404 -6.528 1.592) 8.034 17.422 ( -3.117 -6.214 18.618) 19.874 18.388 ( 2.416 -3.323 -23.887) 24.238 19.537 ( 0.050 9.667 2.845) 10.077 19.669 ( 20.568 0.988 -0.802) 20.608 20.359 ( -2.375 -4.540 -3.844) 6.405 22.412 ( -13.207 -11.013 2.706) 17.407 23.856 ( 4.768 16.006 -1.222) 16.746 24.574 ( -5.302 -8.234 2.933) 10.223 ======================= Grid point 654 (326/432) ======================= q-point: (-0.45 0.18 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( 1.464 15.993 17.565) 23.800 3.117 ( -11.830 11.630 18.977) 25.206 3.874 ( 7.034 -4.222 0.283) 8.209 3.951 ( -9.583 -11.075 0.698) 14.662 4.233 ( -8.036 -7.173 -3.382) 11.290 4.485 ( -9.054 -17.545 -4.535) 20.257 4.895 ( 8.552 2.014 -6.102) 10.697 5.432 ( -2.293 2.524 17.611) 17.938 5.640 ( -11.151 -4.910 -0.749) 12.207 6.086 ( 8.652 0.908 13.218) 15.824 6.384 ( 3.556 0.881 6.912) 7.823 6.529 ( 10.050 3.685 -2.414) 10.973 6.584 ( -9.361 -8.368 8.281) 15.041 7.023 ( -7.243 -4.490 -3.724) 9.300 7.467 ( 1.261 -2.645 -6.386) 7.027 7.886 ( -10.979 -10.851 -1.112) 15.476 9.220 ( -3.142 -2.020 12.629) 13.170 9.316 ( -2.608 -6.645 7.933) 10.672 9.739 ( -10.650 3.415 8.103) 13.811 9.810 ( -0.688 4.980 10.832) 11.942 10.874 ( 2.467 20.485 -2.287) 20.759 11.352 ( 14.352 2.312 -23.920) 27.991 11.720 ( 13.678 17.592 -4.889) 22.814 12.449 ( -8.640 0.060 -2.467) 8.985 12.886 ( 0.745 -4.351 3.609) 5.702 13.077 ( -3.839 0.554 4.746) 6.129 13.735 ( 1.356 0.298 -5.194) 5.377 14.156 ( 0.507 -5.676 -5.153) 7.683 17.666 ( 1.167 -6.855 12.245) 14.081 18.245 ( 6.071 -10.904 -16.838) 20.959 19.427 ( -2.762 9.402 -3.239) 10.321 19.887 ( 14.436 -0.040 -3.489) 14.852 20.368 ( 6.417 -0.170 -0.570) 6.445 22.392 ( -12.954 -14.234 4.351) 19.732 23.761 ( 4.020 13.565 -3.375) 14.545 24.503 ( -12.786 -2.735 -2.617) 13.334 ======================= Grid point 655 (327/432) ======================= q-point: (-0.36 0.18 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( -2.284 12.940 17.513) 21.895 3.112 ( -10.050 12.195 22.520) 27.511 3.878 ( -11.665 -4.045 2.679) 12.633 3.976 ( 2.924 -2.697 -0.230) 3.984 4.230 ( 3.309 -7.145 -1.487) 8.013 4.480 ( -1.245 -16.080 -12.365) 20.322 4.892 ( 8.258 5.119 -7.877) 12.508 5.470 ( -11.304 -8.184 -4.220) 14.580 5.679 ( 1.131 1.564 19.351) 19.447 6.319 ( 2.629 -4.737 10.761) 12.048 6.470 ( 7.673 6.017 0.406) 9.760 6.609 ( -1.494 -2.545 11.661) 12.028 6.709 ( 2.073 -8.614 6.710) 11.114 6.996 ( -0.648 -6.899 -0.537) 6.950 7.414 ( 0.753 1.626 -6.457) 6.701 7.891 ( -9.784 -19.071 2.993) 21.642 9.321 ( -7.053 3.282 14.597) 16.541 9.466 ( -2.105 -10.425 11.538) 15.692 9.661 ( -2.434 7.448 3.736) 8.680 9.851 ( -6.684 6.718 14.080) 16.973 10.753 ( 2.551 15.045 0.445) 15.266 11.254 ( 15.777 2.602 -23.109) 28.102 11.609 ( 6.243 19.568 -10.475) 23.057 12.258 ( -13.119 0.516 -4.420) 13.853 12.975 ( 0.420 -1.492 5.979) 6.176 13.113 ( 2.855 3.143 4.864) 6.457 13.667 ( -2.258 4.636 -2.174) 5.596 14.104 ( -1.348 -7.032 -11.211) 13.302 17.766 ( 5.755 -2.615 -6.607) 9.144 18.393 ( 4.351 -20.255 2.712) 20.894 19.278 ( -0.011 6.568 -5.908) 8.834 19.907 ( -4.449 -2.922 -5.549) 7.689 20.555 ( 25.251 7.440 1.789) 26.385 22.390 ( -15.323 -16.650 3.548) 22.905 23.667 ( 4.717 10.647 -4.844) 12.613 24.246 ( -17.667 3.291 -6.061) 18.966 ======================= Grid point 656 (328/432) ======================= q-point: (-0.27 0.18 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( -1.979 6.053 15.603) 16.853 3.159 ( -8.499 10.878 23.466) 27.225 3.785 ( -7.897 -4.134 -0.977) 8.967 4.034 ( 4.334 -0.493 -1.437) 4.593 4.346 ( 6.508 -1.861 -3.922) 7.823 4.424 ( 1.111 -11.841 -10.033) 15.560 4.867 ( 6.694 2.641 -7.954) 10.726 5.294 ( -11.348 -2.455 -8.385) 14.321 5.912 ( 1.005 2.182 20.212) 20.355 6.438 ( -1.738 2.458 6.985) 7.606 6.554 ( 7.505 -2.776 0.214) 8.005 6.788 ( -0.360 -4.884 11.332) 12.345 6.882 ( 4.715 -2.781 5.798) 7.974 7.113 ( 1.955 -14.763 6.370) 16.197 7.327 ( -0.271 2.815 -4.797) 5.569 7.997 ( -9.363 -24.521 4.451) 26.623 9.297 ( -11.177 6.914 11.842) 17.690 9.598 ( -1.323 2.470 9.816) 10.209 9.758 ( 3.776 -7.913 8.076) 11.920 9.873 ( -8.424 7.351 18.564) 21.671 10.645 ( -1.258 16.329 -0.810) 16.398 11.202 ( 18.406 4.661 -19.165) 26.978 11.359 ( 2.914 15.367 -14.041) 21.019 12.011 ( -15.655 -1.359 -7.285) 17.320 13.059 ( -0.692 -0.908 7.540) 7.626 13.197 ( 9.421 8.380 3.640) 13.124 13.547 ( -6.069 8.277 -0.064) 10.264 14.011 ( -0.523 -10.063 -14.351) 17.536 17.797 ( 9.763 -2.224 -7.539) 12.534 18.559 ( -7.839 -13.327 -0.791) 15.482 19.261 ( 10.669 -2.301 -3.260) 11.391 19.751 ( -10.594 -1.546 -5.540) 12.055 20.899 ( 29.904 8.023 6.188) 31.574 22.318 ( -19.811 -15.977 -1.492) 25.495 23.606 ( 6.667 7.454 -5.021) 11.190 23.894 ( -17.924 7.460 -5.423) 20.158 ======================= Grid point 657 (329/432) ======================= q-point: (-0.18 0.18 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( 0.771 1.365 14.698) 14.781 3.249 ( -3.506 7.042 18.648) 20.239 3.739 ( -2.269 -2.283 0.152) 3.222 4.047 ( 0.986 -2.878 -4.969) 5.826 4.253 ( 0.856 -6.168 -15.602) 16.799 4.573 ( 7.918 0.632 7.199) 10.720 4.817 ( 5.464 2.128 -12.298) 13.624 5.037 ( -11.373 3.167 -9.137) 14.929 6.126 ( 1.369 1.536 17.118) 17.241 6.454 ( 0.001 5.167 5.138) 7.287 6.637 ( 0.111 -1.959 0.502) 2.025 6.840 ( -6.795 1.103 4.624) 8.293 6.985 ( 0.669 -2.418 -0.031) 2.509 7.261 ( 1.587 1.594 -2.311) 3.225 7.491 ( 7.100 -20.713 18.831) 28.879 8.135 ( -10.004 -28.899 1.718) 30.630 9.270 ( -5.719 5.349 13.687) 15.769 9.667 ( -0.400 3.704 7.324) 8.217 9.876 ( -9.332 -4.296 7.806) 12.902 9.952 ( -3.762 10.004 17.484) 20.492 10.439 ( -0.897 14.412 -4.519) 15.130 11.200 ( 9.687 0.387 -15.606) 18.372 11.218 ( 18.215 13.701 -6.185) 23.617 11.715 ( -15.530 -4.073 -11.604) 19.810 13.142 ( -1.130 1.598 8.126) 8.358 13.277 ( 10.132 11.902 1.511) 15.703 13.392 ( -6.240 5.687 -0.051) 8.443 13.943 ( 1.046 -10.719 -13.329) 17.136 17.890 ( 11.505 -1.033 -2.873) 11.903 18.399 ( -12.766 -2.150 -11.217) 17.129 19.414 ( -1.711 -7.799 0.773) 8.022 19.618 ( 1.721 -2.195 -2.493) 3.741 21.316 ( 24.968 3.780 11.623) 27.799 22.097 ( -19.633 -9.823 -9.921) 24.091 23.575 ( -14.132 7.554 -2.188) 16.173 23.607 ( 8.579 4.285 -3.587) 10.238 ======================= Grid point 658 (330/432) ======================= q-point: (-0.09 0.18 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.186 ( 3.051 -1.001 13.072) 13.461 3.355 ( 2.019 3.846 8.855) 9.864 3.774 ( 2.403 -2.040 2.952) 4.318 3.980 ( -2.282 -2.898 -10.184) 10.832 4.196 ( 0.445 -5.803 -3.202) 6.643 4.649 ( -8.881 2.852 -3.104) 9.831 4.692 ( 4.722 4.004 -12.327) 13.794 4.839 ( 4.919 7.819 0.095) 9.238 6.288 ( -1.537 -1.615 9.539) 9.796 6.489 ( 1.770 2.256 4.093) 4.997 6.603 ( -5.183 1.196 -0.548) 5.347 6.742 ( -14.459 4.998 7.746) 17.148 6.940 ( -2.599 -0.668 -4.342) 5.105 7.250 ( 0.802 0.703 -2.094) 2.350 8.011 ( 7.301 -20.392 22.267) 31.063 8.235 ( -9.937 -28.150 -3.764) 30.089 9.373 ( -1.192 0.468 14.726) 14.781 9.615 ( -10.854 8.657 -2.567) 14.119 9.714 ( -8.522 13.470 5.317) 16.803 10.085 ( -1.554 0.947 20.288) 20.369 10.364 ( 7.991 6.979 -5.248) 11.836 11.107 ( 0.784 0.218 -16.113) 16.134 11.364 ( 13.639 4.272 4.951) 15.126 11.513 ( 6.443 -4.632 -11.652) 14.097 13.091 ( -4.310 11.613 -0.451) 12.395 13.308 ( 6.220 7.413 0.762) 9.707 13.370 ( -1.797 -1.925 5.914) 6.474 13.905 ( 2.879 -7.175 -11.394) 13.769 18.005 ( -0.980 -0.234 -4.701) 4.808 18.110 ( 0.510 2.778 -8.053) 8.534 19.337 ( -14.098 -4.495 2.681) 15.038 19.735 ( 5.680 -3.132 0.457) 6.503 21.545 ( -16.668 -9.719 -4.086) 19.723 21.975 ( 22.306 5.089 2.804) 23.051 23.355 ( -9.885 4.941 -0.454) 11.061 23.671 ( 9.714 2.275 -1.520) 10.092 ======================= Grid point 662 (331/432) ======================= q-point: ( 0.27 -0.73 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( 6.970 0.000 0.323) 6.977 3.034 ( -3.307 -0.000 9.763) 10.308 3.557 ( 3.714 0.000 -13.892) 14.380 4.000 ( -6.328 -0.000 -3.039) 7.020 4.474 ( -16.102 -0.000 5.988) 17.179 4.581 ( -24.425 -0.000 13.363) 27.841 4.896 ( 3.843 0.000 1.391) 4.087 5.296 ( 5.636 0.000 12.716) 13.909 5.678 ( -7.242 -0.000 2.280) 7.593 5.833 ( -8.486 -0.000 -0.429) 8.496 6.044 ( -1.246 -0.000 15.526) 15.576 6.518 ( 1.851 0.000 1.839) 2.609 6.726 ( -13.685 -0.000 -5.925) 14.913 7.217 ( 0.234 0.000 -3.350) 3.358 7.511 ( 4.155 0.000 -8.319) 9.299 8.478 ( -24.733 -0.000 -11.442) 27.251 8.997 ( -1.534 -0.000 -7.412) 7.569 9.125 ( -8.155 -0.000 14.857) 16.948 9.531 ( 10.015 0.000 3.755) 10.696 9.841 ( -17.030 -0.000 18.524) 25.162 11.460 ( 5.454 0.000 -1.497) 5.656 11.494 ( 14.568 0.000 -8.882) 17.062 11.671 ( 26.656 0.000 -18.589) 32.497 12.449 ( -1.229 -0.000 2.340) 2.643 12.718 ( -4.093 -0.000 -4.030) 5.744 13.195 ( -3.608 -0.000 0.595) 3.656 13.694 ( 9.043 0.000 -12.412) 15.357 13.852 ( 3.869 0.000 16.380) 16.831 17.255 ( -9.383 -0.000 13.813) 16.699 18.599 ( -0.992 -0.000 -19.449) 19.474 19.433 ( 13.276 0.000 2.440) 13.499 19.548 ( 5.428 0.000 13.902) 14.924 20.412 ( -1.107 -0.000 -13.051) 13.097 22.431 ( -14.364 -0.000 0.850) 14.389 24.172 ( 3.869 0.000 -1.144) 4.035 24.236 ( 4.975 0.000 11.004) 12.076 ======================= Grid point 664 (332/432) ======================= q-point: (-0.64 0.27 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.800 ( 8.925 6.964 10.539) 15.467 3.194 ( -1.866 -0.791 19.325) 19.431 3.513 ( 10.990 -5.282 -11.794) 16.963 3.910 ( -4.486 -3.324 -2.281) 6.032 4.279 ( -19.649 0.915 5.004) 20.297 4.383 ( -26.562 -8.435 5.252) 28.360 4.905 ( 0.034 1.064 -3.449) 3.610 5.420 ( -2.740 1.828 10.490) 10.995 5.727 ( -2.540 6.137 10.389) 12.331 5.838 ( 3.643 -4.059 8.604) 10.187 6.234 ( 0.628 -0.567 15.868) 15.891 6.458 ( -4.964 -2.938 -12.281) 13.568 6.591 ( -1.331 1.107 5.070) 5.358 7.128 ( -7.600 -0.596 -4.449) 8.827 7.457 ( 1.030 -1.545 -7.649) 7.871 8.036 ( -19.445 0.506 -11.240) 22.466 8.993 ( 3.251 -6.506 -2.082) 7.565 9.202 ( -6.843 1.119 16.493) 17.892 9.725 ( 10.462 0.820 6.097) 12.137 9.810 ( -19.552 0.532 18.302) 26.787 11.403 ( 4.343 12.480 -8.947) 15.958 11.477 ( 13.305 0.769 -21.486) 25.284 11.867 ( 23.541 6.708 -4.331) 24.858 12.458 ( -4.077 -3.360 2.184) 5.717 12.698 ( -0.000 -4.448 1.551) 4.711 13.126 ( -7.752 0.062 1.634) 7.923 13.680 ( 7.585 -3.738 -11.844) 14.553 14.051 ( 1.731 -0.501 10.241) 10.398 17.350 ( -5.213 -2.227 18.417) 19.269 18.345 ( 0.822 -1.479 -25.348) 25.404 19.679 ( 16.784 1.265 -0.543) 16.840 19.683 ( 4.070 4.931 6.802) 9.335 20.277 ( -1.202 -3.841 -8.210) 9.143 22.291 ( -12.849 -3.566 3.066) 13.683 24.111 ( 1.660 13.266 -1.394) 13.442 24.408 ( -3.434 -10.474 4.951) 12.083 ======================= Grid point 665 (333/432) ======================= q-point: (-0.55 0.27 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( 1.462 11.626 15.766) 19.644 3.309 ( -6.252 11.367 18.090) 22.260 3.683 ( 11.347 -12.892 -3.182) 17.467 3.890 ( -0.909 -0.806 2.488) 2.769 4.128 ( -11.044 -5.153 0.433) 12.195 4.206 ( -16.345 -14.461 -0.603) 21.832 4.859 ( 0.963 -4.509 -5.312) 7.034 5.521 ( -0.968 2.488 15.593) 15.820 5.642 ( -10.222 8.990 0.363) 13.618 6.064 ( 4.524 -6.290 8.814) 11.736 6.327 ( -4.489 -2.449 9.304) 10.617 6.488 ( 3.998 -3.058 8.605) 9.969 6.624 ( 4.079 4.390 0.693) 6.033 6.956 ( -11.163 -2.995 -3.567) 12.095 7.413 ( 0.789 -3.524 -4.836) 6.036 7.752 ( -10.728 -5.081 -8.415) 14.550 9.112 ( 4.936 -6.637 3.614) 9.026 9.300 ( -6.790 0.998 16.989) 18.323 9.750 ( -21.553 0.352 19.038) 28.760 9.907 ( 10.314 4.081 5.006) 12.169 11.203 ( 3.486 17.060 -11.412) 20.819 11.376 ( 12.573 0.955 -23.485) 26.656 12.008 ( 17.813 15.373 -3.186) 23.744 12.426 ( -6.946 -3.117 -1.640) 7.788 12.801 ( 1.862 -4.964 6.072) 8.061 13.064 ( -5.720 -1.921 3.143) 6.803 13.674 ( 5.391 -5.124 -10.666) 13.003 14.125 ( -3.820 0.435 4.976) 6.288 17.568 ( -0.193 -4.511 19.067) 19.594 18.101 ( 3.156 -6.006 -24.691) 25.606 19.602 ( -3.573 10.736 -2.631) 11.616 19.863 ( 6.874 -3.074 -4.404) 8.723 20.338 ( 16.500 -2.657 -1.319) 16.765 22.221 ( -11.895 -6.470 4.637) 14.312 23.985 ( 0.123 12.740 -3.136) 13.121 24.417 ( -10.503 -7.062 -0.307) 12.660 ======================= Grid point 666 (334/432) ======================= q-point: (-0.45 0.27 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.981 ( -8.666 9.695 14.571) 19.530 3.322 ( -6.441 13.592 18.704) 24.001 3.792 ( -6.298 -5.688 0.673) 8.513 3.967 ( 4.593 0.923 4.188) 6.284 4.099 ( 3.150 -7.174 -0.013) 7.835 4.210 ( -2.334 -16.211 -5.101) 17.154 4.902 ( 9.243 -5.861 -8.406) 13.800 5.391 ( -13.271 1.090 -6.082) 14.639 5.709 ( 1.338 2.124 19.413) 19.574 6.222 ( -2.806 -8.812 6.282) 11.180 6.470 ( -3.346 -4.033 17.650) 18.411 6.580 ( 3.265 3.357 1.083) 4.807 6.695 ( 5.212 3.211 6.190) 8.706 6.893 ( -0.381 -5.912 -0.389) 5.937 7.419 ( 1.370 -1.743 -2.695) 3.490 7.623 ( -8.190 -11.941 -4.963) 15.307 9.308 ( 5.525 -6.192 9.081) 12.302 9.380 ( -8.931 1.827 16.130) 18.528 9.691 ( -20.571 -0.384 19.094) 28.069 10.027 ( 8.600 9.633 4.276) 13.603 10.990 ( 3.117 13.796 -9.447) 17.008 11.271 ( 13.659 0.384 -22.945) 26.705 11.976 ( 10.251 21.413 -8.163) 25.104 12.267 ( -12.790 0.762 -4.918) 13.724 12.929 ( -1.034 -3.477 7.861) 8.657 13.117 ( 4.680 -3.358 3.872) 6.940 13.659 ( 3.085 -3.930 -8.444) 9.811 14.064 ( -8.815 1.344 0.434) 8.927 17.738 ( 5.200 -0.516 -3.106) 6.079 18.086 ( 3.901 -16.062 1.748) 16.621 19.406 ( -3.320 8.595 -7.639) 11.969 19.834 ( -6.568 -5.815 -5.254) 10.226 20.651 ( 31.027 4.035 -0.252) 31.289 22.176 ( -13.563 -9.108 4.000) 16.820 23.845 ( 0.163 10.336 -4.305) 11.198 24.256 ( -15.191 -1.761 -4.306) 15.887 ======================= Grid point 667 (335/432) ======================= q-point: (-0.36 0.27 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( -7.451 5.367 13.383) 16.231 3.348 ( -7.669 11.924 19.746) 24.309 3.722 ( -5.144 -3.258 -1.502) 6.271 4.032 ( 0.959 -0.391 0.687) 1.243 4.217 ( 0.188 -10.930 -11.722) 16.028 4.304 ( 9.942 -4.086 7.910) 13.346 4.927 ( 10.998 3.295 -13.631) 17.821 5.196 ( -10.961 -7.819 -5.604) 14.584 5.945 ( 1.713 0.606 19.422) 19.506 6.329 ( -3.177 -10.345 6.922) 12.846 6.616 ( 5.689 4.444 1.840) 7.450 6.702 ( -2.984 -7.085 19.804) 21.244 6.789 ( 3.806 -2.550 1.553) 4.837 6.981 ( 4.574 -2.833 2.363) 5.876 7.366 ( -2.551 1.979 -3.660) 4.881 7.640 ( -5.529 -18.005 -0.479) 18.841 9.387 ( -12.624 4.123 14.112) 19.378 9.541 ( 3.145 -5.787 11.143) 12.944 9.689 ( -14.768 -2.065 19.980) 24.931 10.079 ( 6.998 14.176 5.909) 16.878 10.841 ( 1.888 8.454 -7.592) 11.519 11.213 ( 15.076 -0.406 -19.664) 24.781 11.739 ( 5.463 25.846 -13.929) 29.864 12.006 ( -15.966 0.617 -6.432) 17.224 13.011 ( -3.748 -4.335 7.104) 9.127 13.297 ( 12.917 1.600 4.299) 13.707 13.621 ( -0.199 -0.254 -5.088) 5.098 13.905 ( -10.310 -0.613 -4.708) 11.350 17.762 ( 10.147 -1.775 -7.498) 12.741 18.333 ( -1.600 -13.095 9.142) 16.050 19.251 ( 2.107 0.979 -8.559) 8.868 19.702 ( -9.112 -4.113 -6.190) 11.759 21.031 ( 32.541 7.311 2.315) 33.433 22.092 ( -16.754 -11.046 0.152) 20.069 23.732 ( 1.772 7.286 -4.344) 8.666 23.983 ( -16.220 3.378 -5.251) 17.380 ======================= Grid point 668 (336/432) ======================= q-point: (-0.27 0.27 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( -1.118 2.312 13.510) 13.751 3.371 ( -5.425 7.213 13.758) 16.454 3.718 ( 1.427 -0.222 1.654) 2.196 4.018 ( -3.572 -0.603 -0.278) 3.633 4.139 ( -0.323 -6.999 -12.716) 14.519 4.550 ( 6.580 -3.237 8.974) 11.590 4.855 ( 7.546 2.072 -14.451) 16.434 5.056 ( -4.118 -0.592 -9.402) 10.281 6.165 ( 0.807 1.590 17.080) 17.173 6.439 ( -4.397 -7.485 5.984) 10.544 6.649 ( 4.097 3.340 -1.222) 5.426 6.839 ( -0.403 -1.216 1.089) 1.682 6.947 ( -2.313 -3.348 10.411) 11.178 7.170 ( 7.703 -14.289 12.343) 20.393 7.289 ( -1.892 1.607 -0.778) 2.601 7.715 ( -6.378 -20.601 -1.913) 21.651 9.348 ( -10.908 3.835 13.865) 18.054 9.689 ( -4.491 -0.819 11.318) 12.204 9.791 ( -8.477 -4.531 16.840) 19.390 10.136 ( 5.643 12.489 8.972) 16.380 10.676 ( -2.711 10.863 -7.716) 13.597 11.199 ( 13.082 -0.068 -16.475) 21.037 11.494 ( 13.243 19.332 -11.356) 26.040 11.696 ( -15.911 2.021 -9.433) 18.607 13.086 ( -3.883 -6.377 7.551) 10.619 13.475 ( 8.509 8.823 3.940) 12.876 13.524 ( -1.466 8.646 -0.777) 8.804 13.752 ( -3.708 -10.225 -10.959) 15.440 17.874 ( 12.016 -0.917 -0.833) 12.079 18.360 ( -9.774 -2.486 -2.999) 10.522 19.270 ( 1.623 -8.897 -2.625) 9.417 19.575 ( -0.912 -2.911 -5.470) 6.263 21.394 ( 19.361 5.447 7.757) 21.556 21.939 ( -10.020 -8.926 -7.437) 15.342 23.665 ( -4.554 3.991 -2.856) 6.695 23.708 ( -5.038 6.659 -3.257) 8.963 ======================= Grid point 669 (337/432) ======================= q-point: (-0.18 0.27 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.181 ( 2.057 0.627 13.014) 13.190 3.420 ( 2.322 3.775 6.929) 8.225 3.760 ( 2.549 0.168 -0.287) 2.571 3.954 ( -3.857 0.481 -2.383) 4.559 4.093 ( 0.025 -6.333 -2.496) 6.807 4.632 ( -12.609 -4.907 1.299) 13.592 4.776 ( 9.887 4.727 -15.730) 19.171 4.953 ( 8.780 6.244 -2.666) 11.099 6.291 ( -4.271 1.171 9.038) 10.064 6.504 ( -1.947 -2.083 8.428) 8.897 6.604 ( -5.001 -0.523 -5.573) 7.506 6.826 ( -3.893 3.657 4.513) 6.993 6.939 ( -5.875 1.823 0.039) 6.152 7.261 ( -0.469 0.551 -0.266) 0.771 7.648 ( 9.698 -21.476 16.336) 28.673 7.786 ( -4.624 -24.243 -2.605) 24.817 9.380 ( -6.668 0.248 14.199) 15.689 9.693 ( -6.506 2.760 2.248) 7.416 9.870 ( -13.437 3.057 16.896) 21.803 10.174 ( -0.150 9.658 7.743) 12.379 10.498 ( 5.024 8.102 -4.728) 10.641 11.125 ( -1.272 2.302 -14.247) 14.487 11.419 ( 0.769 2.080 -11.832) 12.038 11.534 ( 20.224 8.223 -1.432) 21.879 13.193 ( -3.736 -6.904 9.589) 12.392 13.311 ( -10.165 8.302 -1.090) 13.170 13.528 ( 4.712 9.593 -3.044) 11.113 13.773 ( 9.529 -6.467 -6.918) 13.434 18.016 ( 0.742 1.476 -0.641) 1.772 18.152 ( -0.621 2.150 -7.067) 7.413 19.251 ( -10.368 -5.646 0.492) 11.816 19.658 ( 9.523 -5.891 -1.566) 11.307 21.400 ( -22.507 -7.323 -3.469) 23.921 22.042 ( 28.287 2.912 0.910) 28.451 23.449 ( -11.037 6.141 -0.881) 12.661 23.715 ( 7.197 2.769 -0.406) 7.723 ======================= Grid point 670 (338/432) ======================= q-point: (-0.09 -0.73 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.288 ( -4.273 1.916 6.173) 7.748 3.555 ( 12.661 2.821 5.388) 14.046 3.764 ( -1.172 -4.764 -5.786) 7.586 3.878 ( 0.208 2.660 -2.177) 3.444 4.168 ( -2.833 -6.015 6.601) 9.369 4.467 ( -10.763 -2.415 0.166) 11.032 4.649 ( 9.259 9.333 -16.560) 21.144 5.070 ( 9.622 5.448 5.484) 12.343 6.270 ( -8.569 -1.501 3.858) 9.517 6.385 ( -17.073 -0.009 -6.023) 18.104 6.611 ( -0.957 -0.473 8.080) 8.151 6.719 ( -13.679 8.746 4.858) 16.947 6.887 ( 3.633 -1.004 -3.533) 5.166 7.235 ( -0.737 1.637 -1.621) 2.419 7.802 ( -6.563 -22.312 -7.807) 24.532 8.204 ( 9.750 -22.321 15.918) 29.098 9.428 ( -7.299 2.117 2.598) 8.031 9.573 ( -9.640 3.944 10.233) 14.601 9.734 ( -12.641 11.441 5.121) 17.802 10.248 ( -1.199 -1.091 7.788) 7.955 10.553 ( 11.564 6.463 1.383) 13.319 10.855 ( -8.958 -0.400 -8.921) 12.648 11.401 ( 17.390 -0.527 -16.219) 23.785 11.805 ( 21.120 2.758 7.887) 22.712 13.094 ( -5.719 10.257 -3.081) 12.142 13.327 ( -6.665 -8.986 11.636) 16.142 13.442 ( 0.297 5.861 -5.313) 7.916 13.860 ( 12.107 2.834 -6.599) 14.077 17.746 ( -12.882 2.130 -12.104) 17.805 18.308 ( 12.721 2.457 8.280) 15.376 19.167 ( -9.075 -3.466 0.867) 9.753 19.755 ( -1.915 -0.751 1.882) 2.788 21.078 ( -17.323 -9.750 -14.890) 24.837 22.464 ( 27.742 2.269 9.863) 29.530 23.270 ( -8.270 4.787 -1.012) 9.609 23.813 ( 9.003 2.195 2.466) 9.590 ======================= Grid point 675 (339/432) ======================= q-point: ( 0.36 -0.64 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( -0.730 -0.000 14.750) 14.768 3.431 ( 0.309 0.000 19.301) 19.304 3.556 ( 15.372 0.000 -4.289) 15.959 3.880 ( 4.597 0.000 0.903) 4.685 4.046 ( -22.565 -0.000 2.455) 22.699 4.101 ( -14.059 -0.000 1.052) 14.098 4.813 ( -4.666 -0.000 -4.146) 6.242 5.525 ( -2.084 -0.000 10.600) 10.803 5.830 ( -8.654 -0.000 0.405) 8.663 5.907 ( 0.675 0.000 9.746) 9.769 6.343 ( 1.836 0.000 4.888) 5.221 6.439 ( 0.217 0.000 17.527) 17.528 6.665 ( 6.759 0.000 -0.473) 6.775 6.932 ( -14.655 -0.000 -1.934) 14.782 7.377 ( 0.777 0.000 -6.542) 6.588 7.712 ( -10.010 -0.000 -10.586) 14.569 9.053 ( 7.706 0.000 3.230) 8.356 9.309 ( -8.247 -0.000 18.526) 20.279 9.755 ( -22.216 -0.000 19.360) 29.468 9.940 ( 11.343 0.000 5.201) 12.478 11.363 ( 3.729 0.000 -15.342) 15.789 11.382 ( 12.661 0.000 -24.058) 27.186 12.167 ( 21.413 0.000 -2.280) 21.535 12.370 ( -9.887 -0.000 1.432) 9.990 12.756 ( 4.996 0.000 5.183) 7.199 13.040 ( -8.580 -0.000 2.232) 8.865 13.626 ( 6.276 0.000 -10.337) 12.093 14.132 ( -4.635 -0.000 7.215) 8.576 17.528 ( -0.779 -0.000 21.190) 21.204 18.051 ( 2.361 0.000 -27.165) 27.267 19.738 ( -4.326 -0.000 2.832) 5.171 19.797 ( 1.888 0.000 -10.102) 10.277 20.310 ( 22.620 0.000 -1.600) 22.677 22.169 ( -11.345 -0.000 4.690) 12.276 24.128 ( -1.961 -0.000 -4.924) 5.301 24.321 ( -9.136 -0.000 2.407) 9.448 ======================= Grid point 677 (340/432) ======================= q-point: (-0.55 0.36 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.091 ( -12.620 3.378 11.706) 17.542 3.557 ( 0.854 12.823 12.014) 17.592 3.716 ( -0.377 -2.032 3.845) 4.366 3.909 ( -9.877 -11.760 2.537) 15.565 4.005 ( 0.117 -3.976 0.012) 3.978 4.044 ( 12.056 0.522 4.650) 12.932 4.770 ( 2.787 -6.255 -3.659) 7.764 5.449 ( -10.498 2.987 -10.956) 15.465 5.764 ( -3.507 4.225 16.723) 17.602 6.042 ( -4.172 -9.407 7.217) 12.569 6.485 ( 2.306 3.462 13.564) 14.187 6.616 ( 0.996 -0.099 7.695) 7.759 6.745 ( 1.317 2.853 7.148) 7.808 6.806 ( -1.648 -4.139 1.095) 4.588 7.351 ( 3.032 -4.097 -4.742) 6.961 7.524 ( -5.195 -1.511 -7.978) 9.639 9.235 ( 8.104 -2.241 7.983) 11.594 9.406 ( -9.598 0.840 18.649) 20.991 9.686 ( -23.509 -0.108 21.021) 31.537 10.127 ( 11.568 2.692 3.509) 12.385 11.181 ( 2.996 7.182 -17.275) 18.946 11.276 ( 13.206 0.171 -23.205) 26.700 12.210 ( -8.021 4.055 -1.444) 9.103 12.322 ( 7.736 6.348 -6.877) 12.142 12.896 ( 2.346 0.920 6.294) 6.780 13.007 ( -0.132 -8.171 1.933) 8.398 13.609 ( 4.934 -1.395 -6.508) 8.285 14.093 ( -10.958 1.250 4.721) 11.997 17.760 ( 4.305 3.464 3.341) 6.457 17.871 ( 4.395 -9.513 -3.482) 11.042 19.551 ( -7.137 8.195 -9.841) 14.661 19.721 ( -6.684 -7.156 -4.090) 10.611 20.692 ( 35.183 1.134 -1.177) 35.221 22.080 ( -12.675 -2.710 3.902) 13.536 23.993 ( -3.957 6.377 -5.118) 9.084 24.204 ( -12.416 -3.483 -2.056) 13.058 ======================= Grid point 678 (341/432) ======================= q-point: (-0.45 0.36 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( -9.383 3.222 10.835) 14.691 3.551 ( -7.301 11.783 12.379) 18.585 3.683 ( -2.697 -0.923 -0.276) 2.864 3.981 ( 3.283 -7.330 0.063) 8.032 4.062 ( -2.729 -5.923 -0.727) 6.563 4.272 ( 10.676 0.488 9.336) 14.191 4.889 ( 13.271 -7.881 -7.474) 17.149 5.138 ( -11.652 1.750 -11.412) 16.403 5.928 ( -1.254 -1.684 16.836) 16.967 6.142 ( -4.410 -10.817 7.385) 13.820 6.634 ( -0.210 0.928 13.384) 13.418 6.671 ( 3.336 1.381 2.427) 4.351 6.802 ( -1.434 1.836 6.932) 7.313 6.940 ( 6.564 -2.616 4.717) 8.496 7.392 ( -2.744 0.719 -1.769) 3.343 7.410 ( 1.034 -9.033 -5.496) 10.624 9.436 ( -8.741 1.440 13.703) 16.317 9.470 ( 1.858 -2.124 12.131) 12.454 9.659 ( -21.303 -1.458 25.462) 33.230 10.269 ( 11.625 7.663 2.291) 14.110 10.963 ( 1.879 6.313 -15.369) 16.721 11.208 ( 14.738 -0.290 -20.141) 24.960 12.018 ( -12.537 1.616 -4.409) 13.387 12.146 ( 2.127 20.222 -12.895) 24.077 12.932 ( -6.192 -4.340 5.926) 9.607 13.207 ( 12.698 -10.353 -1.055) 16.417 13.625 ( 5.181 1.758 -1.946) 5.807 13.945 ( -15.402 3.016 2.737) 15.931 17.741 ( 10.412 -0.713 -8.765) 13.629 18.148 ( 2.544 -8.372 16.143) 18.362 19.285 ( -6.045 2.632 -11.966) 13.663 19.627 ( -6.190 -4.323 -5.697) 9.459 21.129 ( 36.701 4.230 -0.836) 36.954 21.954 ( -16.397 -5.435 0.672) 17.287 23.838 ( -3.442 5.102 -4.344) 7.533 24.012 ( -13.137 0.399 -4.000) 13.738 ======================= Grid point 679 (342/432) ======================= q-point: (-0.36 0.36 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.073 ( -0.269 2.962 11.397) 11.779 3.477 ( -6.955 5.359 6.694) 11.041 3.726 ( 4.769 0.918 2.716) 5.564 4.003 ( -7.619 -3.620 -0.473) 8.449 4.056 ( 1.429 -0.533 -1.442) 2.099 4.485 ( 1.208 -4.019 9.564) 10.444 4.878 ( 0.532 0.756 -14.810) 14.839 5.025 ( 11.149 -2.916 -8.929) 14.579 6.128 ( -1.429 -5.990 15.298) 16.491 6.275 ( -3.004 -10.736 6.206) 12.760 6.682 ( -1.858 0.177 -0.890) 2.068 6.794 ( 4.323 -3.393 1.210) 5.627 6.891 ( 1.581 -0.479 15.375) 15.464 7.072 ( 2.562 -0.729 6.290) 6.831 7.315 ( -3.346 1.517 0.767) 3.753 7.465 ( 0.952 -9.684 -5.147) 11.008 9.397 ( -14.850 2.093 14.155) 20.622 9.662 ( 0.706 -1.862 10.536) 10.722 9.734 ( -15.284 -2.482 25.614) 29.931 10.346 ( 8.446 11.605 2.161) 14.515 10.782 ( -0.282 2.847 -12.374) 12.701 11.197 ( 14.859 -0.244 -16.421) 22.147 11.753 ( -12.662 6.754 -6.459) 15.737 11.854 ( 5.671 19.827 -13.428) 24.608 12.963 ( -6.667 -7.749 5.712) 11.709 13.407 ( 7.531 -12.745 -6.378) 16.119 13.683 ( 9.652 8.668 3.409) 13.414 13.725 ( -15.043 4.401 0.633) 15.687 17.861 ( 12.912 -0.596 1.077) 12.970 18.318 ( -5.458 -2.398 4.674) 7.575 19.139 ( -0.701 -6.349 -6.401) 9.043 19.527 ( -0.745 -2.733 -7.247) 7.781 21.491 ( 14.385 6.028 2.847) 15.855 21.804 ( -1.141 -7.333 -6.016) 9.553 23.722 ( -5.476 2.732 -2.291) 6.535 23.802 ( -7.072 4.439 -2.918) 8.845 ======================= Grid point 680 (343/432) ======================= q-point: (-0.27 0.36 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.212 ( 3.796 3.059 11.625) 12.606 3.477 ( 1.845 2.924 5.651) 6.625 3.762 ( 0.798 -0.338 -5.225) 5.296 3.989 ( 0.799 -6.045 1.013) 6.182 4.016 ( -4.072 6.849 4.104) 8.963 4.508 ( -16.525 -9.190 2.472) 19.070 4.819 ( 12.750 0.654 -11.880) 17.439 5.058 ( 12.619 5.870 -8.217) 16.162 6.287 ( -5.651 -2.861 7.984) 10.191 6.383 ( -3.701 -11.583 9.236) 15.269 6.585 ( -7.901 -2.174 -5.925) 10.112 6.842 ( 4.022 -0.409 -2.198) 4.602 7.024 ( -6.659 6.798 9.264) 13.280 7.253 ( 0.505 -3.280 3.960) 5.166 7.359 ( 9.186 -10.542 10.080) 17.237 7.483 ( 0.468 -11.343 -6.191) 12.931 9.378 ( -11.995 -0.500 14.681) 18.965 9.728 ( -8.232 1.715 9.767) 12.888 9.871 ( -8.731 -1.497 20.546) 22.375 10.337 ( 0.479 8.821 0.362) 8.841 10.595 ( -3.207 2.988 -11.059) 11.896 11.186 ( 8.120 4.297 -11.823) 14.973 11.501 ( -0.765 8.572 -8.122) 11.834 11.725 ( 14.969 13.339 -6.021) 20.935 13.029 ( -7.021 -10.894 7.831) 15.143 13.441 ( -5.008 0.535 -2.180) 5.488 13.502 ( -8.215 -4.105 -6.237) 11.101 13.836 ( 16.875 10.173 3.135) 19.952 18.051 ( 3.622 2.538 3.271) 5.501 18.179 ( -2.952 1.123 -6.082) 6.853 19.158 ( -3.787 -5.292 0.716) 6.546 19.550 ( 10.086 -6.649 -4.859) 13.021 21.306 ( -26.102 -4.107 -4.963) 26.885 22.075 ( 32.582 1.130 -1.459) 32.634 23.553 ( -10.253 6.124 0.181) 11.944 23.755 ( 3.459 1.839 0.416) 3.940 ======================= Grid point 681 (344/432) ======================= q-point: (-0.18 -0.64 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.333 ( -3.530 3.271 11.646) 12.601 3.606 ( 12.727 3.444 2.670) 13.452 3.694 ( -1.606 -3.454 -4.782) 6.113 3.939 ( 1.288 4.253 -2.455) 5.077 4.085 ( -5.335 -4.078 4.655) 8.171 4.387 ( -10.218 -6.700 2.216) 12.419 4.796 ( 12.727 7.186 -16.074) 21.725 5.126 ( 8.697 2.456 1.872) 9.229 6.252 ( -10.268 -1.206 4.643) 11.334 6.364 ( -15.554 -2.826 -7.532) 17.511 6.552 ( -3.970 -7.572 8.564) 12.102 6.865 ( -4.105 3.093 3.655) 6.307 6.901 ( -2.090 7.676 -2.725) 8.409 7.244 ( -2.313 -0.767 -0.785) 2.560 7.494 ( 1.426 -12.437 -7.686) 14.690 7.837 ( 13.690 -20.801 11.988) 27.638 9.421 ( -8.355 -2.037 12.600) 15.256 9.649 ( -11.647 4.776 4.809) 13.475 9.912 ( -15.705 8.297 14.265) 22.781 10.243 ( -3.644 1.226 -0.883) 3.945 10.489 ( 2.062 -8.295 -8.316) 11.925 11.041 ( -1.515 16.779 -0.880) 16.870 11.434 ( 15.974 4.440 -14.557) 22.063 11.875 ( 20.287 5.763 3.766) 21.423 13.123 ( -9.420 -11.319 7.980) 16.749 13.273 ( -6.671 7.387 1.808) 10.117 13.440 ( -1.350 -5.594 -7.092) 9.133 13.985 ( 16.472 10.696 -0.577) 19.648 17.783 ( -13.967 2.229 -13.430) 19.504 18.352 ( 12.101 2.637 9.559) 15.645 19.131 ( -3.379 -0.590 -0.117) 3.432 19.708 ( 6.068 -5.111 0.423) 7.945 20.924 ( -23.119 -8.130 -11.672) 27.144 22.478 ( 29.491 -0.526 1.594) 29.539 23.382 ( -8.806 8.467 1.744) 12.340 23.841 ( 7.010 0.940 4.449) 8.355 ======================= Grid point 682 (345/432) ======================= q-point: (-0.09 -0.64 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.302 ( -10.777 7.654 6.910) 14.916 3.563 ( -6.642 -1.153 -9.294) 11.481 3.851 ( 12.574 -0.555 6.565) 14.195 3.875 ( -2.329 3.144 -6.439) 7.535 4.090 ( 0.431 -8.813 5.530) 10.414 4.472 ( 2.008 -2.294 10.022) 10.476 4.694 ( 12.119 11.078 -15.693) 22.713 5.251 ( 3.915 -0.568 6.117) 7.285 6.052 ( -22.278 -0.148 -4.814) 22.793 6.181 ( -9.499 -1.129 4.164) 10.433 6.534 ( -14.091 -0.646 -0.330) 14.110 6.725 ( -6.970 7.549 5.428) 11.621 6.905 ( 6.068 0.317 -5.545) 8.226 7.218 ( -1.204 -1.379 -0.513) 1.901 7.526 ( 2.119 -12.091 -8.826) 15.119 8.279 ( 9.214 -21.011 6.941) 23.970 9.372 ( -10.374 8.655 0.714) 13.529 9.575 ( -10.978 -4.721 13.154) 17.772 9.722 ( -12.702 11.981 5.031) 18.171 10.146 ( -12.811 -5.495 -3.533) 14.380 10.594 ( 8.915 -11.400 -3.598) 14.912 10.950 ( 3.909 15.551 8.213) 18.015 11.454 ( 18.808 1.450 -17.926) 26.023 12.175 ( 19.422 1.798 6.520) 20.566 13.061 ( -4.297 4.484 -1.306) 6.346 13.301 ( -7.405 -7.595 11.886) 15.931 13.376 ( -1.313 0.473 -5.022) 5.213 14.056 ( 14.120 12.927 -4.690) 19.710 17.466 ( -12.656 -0.333 -8.696) 15.359 18.597 ( 10.603 1.497 10.682) 15.125 19.093 ( 0.076 2.146 -1.567) 2.658 19.710 ( -11.530 3.032 2.992) 12.292 20.653 ( -6.212 -12.115 -15.252) 20.445 22.878 ( 24.009 -5.612 3.145) 24.856 23.211 ( -8.994 10.129 1.404) 13.618 24.010 ( 9.553 2.455 8.133) 12.784 ======================= Grid point 688 (346/432) ======================= q-point: ( 0.45 -0.55 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.061 ( -9.232 -0.000 9.456) 13.216 3.641 ( -7.111 -0.000 -1.118) 7.199 3.746 ( -6.063 -0.000 2.825) 6.689 3.849 ( 7.705 0.000 10.469) 12.999 4.019 ( -2.218 -0.000 2.317) 3.207 4.287 ( 9.101 0.000 8.448) 12.417 4.799 ( 12.934 0.000 -3.806) 13.482 5.166 ( -10.876 -0.000 -14.456) 18.091 5.916 ( -4.220 -0.000 16.005) 16.552 6.035 ( -3.131 -0.000 7.310) 7.953 6.660 ( 3.970 0.000 6.630) 7.728 6.680 ( -0.822 -0.000 4.664) 4.736 6.821 ( -6.100 -0.000 13.210) 14.550 6.908 ( 8.695 0.000 4.335) 9.716 7.331 ( 7.309 0.000 -7.070) 10.169 7.402 ( -4.466 -0.000 -2.107) 4.938 9.435 ( 6.933 0.000 10.550) 12.624 9.467 ( -13.257 -0.000 15.507) 20.401 9.646 ( -22.941 -0.000 26.824) 35.297 10.330 ( 13.330 0.000 1.717) 13.440 11.024 ( 0.940 0.000 -18.807) 18.831 11.204 ( 14.464 0.000 -20.452) 25.050 12.033 ( -12.109 -0.000 -3.250) 12.537 12.341 ( 1.986 0.000 -12.193) 12.353 12.894 ( -7.469 -0.000 3.217) 8.133 13.086 ( 12.467 0.000 -0.738) 12.488 13.645 ( 6.977 0.000 0.433) 6.991 13.972 ( -16.243 -0.000 4.215) 16.781 17.736 ( 10.494 0.000 -10.094) 14.561 18.075 ( 3.946 0.000 19.284) 19.684 19.313 ( -10.580 -0.000 -13.623) 17.249 19.584 ( -3.489 -0.000 -4.892) 6.009 21.165 ( 38.885 0.000 -2.058) 38.939 21.910 ( -16.878 -0.000 0.793) 16.896 23.885 ( -6.575 -0.000 -4.825) 8.156 24.011 ( -10.764 -0.000 -2.971) 11.167 ======================= Grid point 690 (347/432) ======================= q-point: (-0.45 0.45 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.113 ( 1.825 1.497 9.494) 9.783 3.541 ( -3.728 2.100 -1.046) 4.405 3.743 ( 1.211 0.835 4.214) 4.463 3.936 ( -9.888 -2.693 -1.015) 10.299 4.078 ( 5.764 1.373 8.991) 10.768 4.432 ( -6.087 -1.953 10.036) 11.899 4.890 ( -1.433 0.872 -15.730) 15.819 4.971 ( 18.452 -2.796 -6.908) 19.900 6.036 ( -4.305 -3.165 13.110) 14.157 6.122 ( -1.062 -5.964 6.802) 9.109 6.682 ( -4.028 0.145 -0.972) 4.147 6.764 ( 5.087 -0.580 1.607) 5.367 6.899 ( -0.620 0.463 11.739) 11.765 7.071 ( 3.820 0.080 8.337) 9.171 7.338 ( 0.125 1.248 -1.599) 2.032 7.368 ( 2.778 -2.874 -3.618) 5.391 9.420 ( -17.349 0.726 14.034) 22.326 9.638 ( 4.981 -0.772 10.352) 11.514 9.706 ( -19.824 -0.847 29.747) 35.757 10.488 ( 11.030 4.735 -0.420) 12.011 10.803 ( -2.647 0.246 -16.578) 16.790 11.192 ( 16.056 -0.233 -16.231) 22.832 11.846 ( -8.548 3.623 -3.412) 9.892 12.129 ( 0.453 10.363 -15.597) 18.731 12.856 ( -7.627 -4.093 4.184) 9.614 13.214 ( 7.517 -7.726 -5.981) 12.328 13.780 ( -13.609 2.491 3.936) 14.384 13.790 ( 7.411 2.739 4.287) 8.989 17.854 ( 13.613 -0.205 2.168) 13.786 18.287 ( -1.841 -1.103 9.453) 9.694 19.068 ( -4.268 -2.126 -9.106) 10.278 19.492 ( 0.146 -1.157 -7.970) 8.055 21.591 ( 9.121 5.987 -1.523) 11.016 21.692 ( 6.507 -6.255 -4.374) 10.030 23.753 ( -6.588 0.971 -1.826) 6.905 23.853 ( -7.499 1.545 -2.495) 8.053 ======================= Grid point 691 (348/432) ======================= q-point: (-0.36 -0.55 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.276 ( 8.642 4.133 9.020) 13.158 3.514 ( 1.068 1.544 3.288) 3.786 3.754 ( -4.075 -0.270 -5.351) 6.731 3.896 ( 2.882 -4.852 3.947) 6.887 4.155 ( -3.964 8.460 7.079) 11.721 4.358 ( -19.534 -7.835 4.073) 21.437 4.817 ( 12.607 -0.460 -11.837) 17.299 5.123 ( 16.651 1.607 -8.420) 18.728 6.169 ( -3.832 -9.324 10.510) 14.562 6.212 ( -5.015 -7.111 4.858) 9.966 6.553 ( -9.891 -1.187 -5.220) 11.247 6.830 ( 4.008 -0.968 -1.724) 4.469 7.099 ( 4.605 -0.634 12.916) 13.727 7.176 ( 0.772 0.376 7.781) 7.828 7.315 ( -0.633 0.748 0.465) 1.084 7.376 ( 4.916 -3.155 -7.521) 9.523 9.367 ( -15.877 -0.632 15.424) 22.144 9.755 ( -13.460 1.526 19.227) 23.520 9.841 ( -2.415 -1.835 16.704) 16.977 10.461 ( -2.536 6.022 -7.088) 9.640 10.605 ( -3.899 -1.291 -11.509) 12.220 11.243 ( 17.346 2.287 -12.824) 21.692 11.678 ( -2.898 10.831 -1.735) 11.345 11.935 ( 9.178 10.486 -10.258) 17.304 12.862 ( -8.256 -8.184 6.226) 13.187 13.275 ( 2.585 -10.706 -7.536) 13.345 13.568 ( -16.146 3.977 3.097) 16.915 13.982 ( 15.310 6.445 4.269) 17.151 18.093 ( 8.822 2.258 7.414) 11.743 18.189 ( -7.910 0.093 -6.976) 10.547 19.084 ( 3.822 -3.289 3.154) 5.947 19.455 ( 7.407 -4.333 -8.695) 12.216 21.259 ( -27.308 -1.655 -6.972) 28.233 22.084 ( 34.729 0.192 -3.673) 34.923 23.645 ( -7.357 4.662 2.034) 8.944 23.771 ( -1.046 0.038 0.522) 1.169 ======================= Grid point 692 (349/432) ======================= q-point: (-0.27 -0.55 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.397 ( -4.749 4.547 12.308) 13.954 3.646 ( 4.528 -1.466 4.243) 6.376 3.663 ( 11.258 1.840 -7.215) 13.498 3.990 ( -8.439 -0.471 -0.870) 8.497 4.027 ( -5.485 -2.093 1.120) 5.976 4.295 ( -3.448 -2.135 6.079) 7.308 4.857 ( 12.317 0.291 -11.866) 17.105 5.185 ( 9.520 4.561 -4.536) 11.489 6.208 ( -9.456 -4.339 3.800) 11.076 6.290 ( -10.223 -7.662 -0.491) 12.785 6.388 ( -8.514 -7.842 3.435) 12.074 6.855 ( 2.045 -1.491 -1.859) 3.140 7.075 ( -6.903 9.953 2.812) 12.435 7.234 ( -1.761 0.414 -3.565) 3.997 7.392 ( 6.711 -2.078 -6.067) 9.283 7.539 ( 14.139 -14.474 8.742) 22.041 9.380 ( -12.477 -2.490 16.428) 20.779 9.721 ( -16.372 3.703 12.241) 20.775 9.992 ( -5.980 1.967 15.751) 16.963 10.243 ( -12.140 -3.194 -9.334) 15.643 10.426 ( -0.639 2.266 -10.569) 10.829 11.269 ( 12.510 8.729 -9.175) 17.801 11.568 ( 4.944 11.894 -3.423) 13.328 11.987 ( 17.582 6.811 0.129) 18.856 12.923 ( -8.438 -11.146 8.953) 16.601 13.301 ( 0.399 -9.804 -6.051) 11.527 13.386 ( -10.245 5.259 2.531) 11.791 14.156 ( 15.606 8.788 1.704) 17.991 17.816 ( -15.051 1.606 -15.117) 21.393 18.391 ( 11.631 1.994 11.016) 16.144 19.155 ( 3.367 3.515 0.656) 4.912 19.589 ( 11.617 -8.724 -1.895) 14.651 20.818 ( -27.775 -4.545 -10.502) 30.040 22.456 ( 29.048 -1.775 -4.808) 29.497 23.536 ( -6.228 9.467 4.562) 12.216 23.838 ( 4.397 -1.517 5.884) 7.501 ======================= Grid point 693 (350/432) ======================= q-point: (-0.18 -0.55 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.379 ( -18.731 0.908 15.930) 24.606 3.580 ( -1.186 3.455 -10.514) 11.130 3.800 ( -6.163 -6.623 0.221) 9.050 3.929 ( 6.144 3.377 -1.589) 7.189 4.019 ( 11.291 1.091 2.410) 11.597 4.427 ( 5.803 -2.883 7.080) 9.597 4.844 ( 12.903 5.801 -14.414) 20.196 5.221 ( -0.142 -0.949 3.504) 3.633 6.050 ( -17.082 -0.230 -5.129) 17.837 6.158 ( -10.072 -1.783 4.630) 11.227 6.451 ( -9.947 -9.170 4.016) 14.112 6.852 ( -5.265 3.446 1.924) 6.580 6.940 ( 4.014 6.223 -5.196) 9.046 7.152 ( -3.566 -3.740 -4.671) 6.965 7.422 ( 6.598 -1.480 -6.048) 9.072 7.947 ( 14.115 -18.328 3.976) 23.473 9.449 ( -9.128 -2.364 15.527) 18.166 9.551 ( -18.032 4.219 3.961) 18.938 9.923 ( -14.916 10.194 7.897) 19.717 10.017 ( -14.628 -6.452 -5.866) 17.030 10.439 ( 9.897 -6.701 -3.103) 12.348 11.226 ( 5.353 14.234 -0.522) 15.216 11.514 ( 11.084 6.879 -11.179) 17.180 12.222 ( 19.027 3.507 4.359) 19.833 13.007 ( -7.614 -8.997 7.607) 14.028 13.270 ( -4.364 2.027 2.234) 5.305 13.335 ( -0.080 -4.334 -1.045) 4.459 14.266 ( 14.295 11.383 -2.050) 18.388 17.460 ( -13.766 -0.299 -11.390) 17.870 18.622 ( 9.518 1.398 7.612) 12.267 19.167 ( 6.320 6.699 -1.046) 9.268 19.728 ( -2.848 -1.265 2.671) 4.105 20.453 ( -13.962 -11.192 -12.327) 21.729 22.759 ( 21.990 -7.183 -6.141) 23.935 23.423 ( -5.861 13.705 5.899) 16.031 24.030 ( 8.943 -0.210 10.417) 13.731 ======================= Grid point 694 (351/432) ======================= q-point: (-0.09 -0.55 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.249 ( -19.950 5.506 2.980) 20.909 3.311 ( -19.424 -1.199 -0.952) 19.484 3.761 ( 3.121 0.118 -7.380) 8.014 4.014 ( 7.464 -3.341 5.398) 9.798 4.298 ( 16.575 0.506 7.153) 18.059 4.607 ( 4.730 -0.717 7.427) 8.834 4.772 ( 12.962 9.754 -14.669) 21.871 5.273 ( -8.461 -7.490 8.757) 14.296 5.769 ( -17.047 4.820 -1.030) 17.745 6.103 ( -6.164 -1.963 0.949) 6.538 6.343 ( -14.249 1.396 1.920) 14.445 6.719 ( -7.464 6.581 -0.682) 9.975 6.898 ( 2.461 0.987 -8.209) 8.627 7.168 ( 1.351 -7.606 0.896) 7.776 7.462 ( 9.053 -2.003 -6.547) 11.351 8.251 ( 6.167 -17.224 -1.176) 18.332 9.290 ( -15.909 7.994 1.213) 17.845 9.544 ( -11.135 -5.670 15.967) 20.275 9.723 ( -9.677 11.167 3.555) 15.198 9.869 ( -11.203 -10.085 -3.015) 15.372 10.600 ( 8.010 -6.889 -2.265) 10.805 11.191 ( 2.070 11.055 6.017) 12.755 11.481 ( 15.043 1.309 -18.096) 23.568 12.459 ( 13.551 2.264 2.117) 13.901 13.033 ( -3.035 -1.594 2.278) 4.116 13.262 ( -4.217 -2.754 2.759) 5.743 13.372 ( 1.059 -0.804 4.196) 4.402 14.286 ( 12.273 14.448 -5.691) 19.793 17.246 ( -9.979 -2.384 -0.323) 10.265 18.783 ( 8.095 -2.421 -1.020) 8.511 19.190 ( 7.413 9.035 1.123) 11.741 19.566 ( -18.064 3.916 1.561) 18.549 20.401 ( 3.957 -12.477 -8.273) 15.485 22.995 ( 12.499 -10.913 -7.845) 18.353 23.300 ( -3.582 14.804 7.100) 16.805 24.281 ( 10.296 2.441 12.069) 16.051 ======================= Grid point 701 (352/432) ======================= q-point: (-0.45 -0.45 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.318 ( 12.798 0.000 7.736) 14.954 3.527 ( 0.133 0.000 0.551) 0.566 3.755 ( -8.937 -0.000 -4.800) 10.144 3.847 ( 4.985 0.000 7.343) 8.875 4.256 ( 2.690 0.000 8.049) 8.487 4.268 ( -26.730 -0.000 4.059) 27.037 4.812 ( 11.923 0.000 -12.828) 17.514 5.128 ( 18.053 0.000 -6.773) 19.282 6.088 ( -4.496 -0.000 9.059) 10.114 6.144 ( -3.252 -0.000 5.061) 6.016 6.544 ( -10.430 -0.000 -4.861) 11.508 6.819 ( 3.830 0.000 -1.314) 4.049 7.075 ( 8.042 0.000 10.186) 12.978 7.203 ( -1.132 -0.000 9.735) 9.800 7.327 ( -5.752 -0.000 3.122) 6.545 7.349 ( 10.033 0.000 -11.319) 15.125 9.362 ( -17.299 -0.000 15.739) 23.387 9.771 ( -21.715 -0.000 28.501) 35.831 9.821 ( 6.067 0.000 9.315) 11.117 10.525 ( -10.305 -0.000 -16.029) 19.056 10.578 ( 3.036 0.000 -4.987) 5.839 11.261 ( 19.866 0.000 -13.373) 23.948 11.785 ( -2.035 -0.000 1.072) 2.300 12.028 ( 5.400 0.000 -12.542) 13.655 12.789 ( -7.945 -0.000 5.554) 9.694 13.173 ( 3.018 0.000 -6.660) 7.312 13.601 ( -17.140 -0.000 4.145) 17.634 14.037 ( 14.838 0.000 4.560) 15.523 18.115 ( 13.866 0.000 10.667) 17.494 18.188 ( -12.939 -0.000 -9.152) 15.849 19.056 ( 7.429 0.000 4.692) 8.787 19.417 ( 5.604 0.000 -10.551) 11.947 21.246 ( -27.479 -0.000 -7.861) 28.581 22.085 ( 35.323 0.000 -4.574) 35.618 23.691 ( -4.285 -0.000 3.609) 5.602 23.765 ( -4.589 -0.000 -0.243) 4.596 ======================= Grid point 702 (353/432) ======================= q-point: (-0.36 -0.45 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.480 ( -11.292 4.508 10.212) 15.878 3.618 ( 13.053 -1.741 4.557) 13.935 3.675 ( 13.376 -0.422 -8.536) 15.873 3.917 ( -27.918 -4.002 -0.280) 28.205 4.031 ( 6.507 0.599 6.147) 8.971 4.318 ( -0.255 2.410 3.216) 4.027 4.840 ( 10.945 -1.228 -10.352) 15.115 5.247 ( 11.453 2.092 -5.713) 12.969 6.137 ( -6.984 -2.991 3.220) 8.251 6.140 ( -5.087 -6.026 5.832) 9.808 6.340 ( -13.578 -0.567 -2.107) 13.752 6.837 ( 1.631 -0.597 -1.881) 2.560 7.207 ( -5.564 5.616 2.439) 8.274 7.245 ( -0.778 0.271 -2.888) 3.003 7.364 ( 11.305 -6.344 6.225) 14.380 7.376 ( 10.096 -0.298 -6.817) 12.186 9.348 ( -15.319 -1.052 18.342) 23.921 9.766 ( -22.448 1.436 20.581) 30.488 10.005 ( 4.044 0.135 10.365) 11.127 10.187 ( -15.215 -2.079 -13.549) 20.479 10.483 ( -2.285 2.463 -8.716) 9.341 11.347 ( 19.589 1.854 -16.499) 25.679 11.768 ( -1.942 9.025 4.967) 10.483 12.059 ( 14.012 1.115 -2.546) 14.285 12.795 ( -5.871 -3.503 9.087) 11.372 13.153 ( 0.954 -6.109 -5.176) 8.063 13.445 ( -12.456 1.821 3.809) 13.152 14.258 ( 14.744 3.162 2.505) 15.286 17.834 ( -15.696 0.573 -16.291) 22.629 18.415 ( 11.426 0.742 12.004) 16.589 19.239 ( 9.339 5.618 5.180) 12.066 19.441 ( 12.328 -7.731 -7.052) 16.170 20.770 ( -29.760 -1.354 -10.443) 31.568 22.432 ( 28.366 -0.876 -7.946) 29.471 23.681 ( -2.885 7.630 5.524) 9.852 23.787 ( 1.548 -4.565 7.103) 8.584 ======================= Grid point 703 (354/432) ======================= q-point: (-0.27 -0.45 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.379 ( -20.422 0.411 12.939) 24.180 3.569 ( -23.228 -6.387 -3.066) 24.284 3.739 ( 8.876 1.511 -4.090) 9.889 3.961 ( 21.981 -0.003 3.763) 22.300 4.103 ( 4.066 7.852 -0.811) 8.879 4.377 ( 5.991 -3.421 2.341) 7.285 4.873 ( 11.019 -1.103 -10.177) 15.040 5.254 ( -0.013 3.963 -0.622) 4.012 6.043 ( -10.923 -0.496 -3.267) 11.412 6.125 ( -10.112 -2.253 4.001) 11.106 6.271 ( -8.425 -9.953 6.634) 14.631 6.850 ( 2.342 -0.974 -0.400) 2.568 7.071 ( -3.614 6.180 -5.229) 8.865 7.141 ( -3.898 1.838 -6.999) 8.220 7.422 ( 7.398 0.792 -4.278) 8.582 7.688 ( 16.853 -12.154 1.192) 20.812 9.390 ( -14.612 -3.042 18.473) 23.749 9.614 ( -21.315 2.088 6.049) 22.255 9.891 ( -17.027 -3.742 -2.578) 17.623 10.110 ( -9.070 6.675 10.285) 15.252 10.375 ( 9.133 -0.955 -9.387) 13.131 11.365 ( 16.177 3.620 -16.200) 23.178 11.688 ( -4.711 11.506 4.015) 13.066 12.265 ( 16.872 0.675 2.303) 17.042 12.886 ( -3.363 -3.210 10.540) 11.520 13.192 ( 1.662 -8.743 -1.827) 9.085 13.342 ( -7.211 2.444 3.680) 8.457 14.415 ( 13.803 6.190 -0.786) 15.147 17.457 ( -14.356 -0.129 -13.352) 19.606 18.642 ( 9.196 0.912 4.954) 10.485 19.310 ( 11.163 10.200 -0.547) 15.131 19.656 ( 7.905 -7.457 2.425) 11.135 20.306 ( -24.499 -5.984 -10.612) 27.361 22.661 ( 20.511 -4.236 -9.936) 23.182 23.633 ( -3.428 10.669 6.479) 12.945 24.004 ( 8.563 -2.697 12.250) 15.187 ======================= Grid point 704 (355/432) ======================= q-point: (-0.18 -0.45 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.215 ( -28.212 -6.589 9.250) 30.412 3.294 ( -21.660 -2.360 -2.615) 21.944 3.790 ( 6.099 3.119 -1.265) 6.966 4.052 ( 7.698 7.297 -3.159) 11.067 4.305 ( 19.303 0.143 5.719) 20.133 4.549 ( 11.017 -5.476 1.391) 12.382 4.907 ( 13.735 4.539 -10.840) 18.076 5.196 ( -12.258 -0.166 8.942) 15.174 5.848 ( -12.347 4.548 -0.246) 13.160 6.063 ( -5.884 -2.619 -0.902) 6.503 6.299 ( -10.991 -6.301 7.763) 14.859 6.824 ( -4.128 5.030 -6.395) 9.123 6.952 ( -1.011 5.303 -8.277) 9.882 7.032 ( 3.136 -7.170 -1.101) 7.903 7.465 ( 8.812 1.653 -4.075) 9.848 7.985 ( 12.347 -14.401 -3.423) 19.275 9.306 ( -19.692 -5.445 -0.123) 20.432 9.511 ( -13.373 0.348 19.546) 23.686 9.722 ( -14.828 -4.824 1.710) 15.687 9.934 ( -10.958 13.071 2.306) 17.212 10.500 ( 11.235 -5.111 -2.286) 12.553 11.350 ( 9.864 5.648 -8.833) 14.395 11.562 ( -1.297 8.601 -3.898) 9.532 12.487 ( 13.023 0.380 1.546) 13.120 12.969 ( -4.026 -3.075 7.346) 8.924 13.252 ( 1.478 -1.120 -1.732) 2.537 13.329 ( -1.675 -3.228 4.960) 6.150 14.489 ( 12.576 9.588 -4.735) 16.508 17.211 ( -9.797 -1.639 -1.633) 10.067 18.750 ( 9.107 -1.523 -7.138) 11.671 19.367 ( 10.495 11.961 1.464) 15.980 19.621 ( -18.274 2.805 1.237) 18.529 20.173 ( 3.065 -14.647 -3.989) 15.487 22.830 ( 15.472 -8.131 -9.797) 20.037 23.553 ( -4.907 14.236 6.886) 16.557 24.294 ( 10.795 -0.768 12.507) 16.539 ======================= Grid point 705 (356/432) ======================= q-point: (-0.09 -0.45 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.889 ( -24.868 -0.421 -8.936) 26.429 3.080 ( -26.883 -8.723 12.778) 31.017 3.797 ( 7.123 5.679 -5.535) 10.660 4.146 ( 9.016 -2.769 2.864) 9.857 4.549 ( 7.208 2.086 5.525) 9.319 4.797 ( 15.136 -0.655 6.399) 16.446 4.851 ( 5.347 11.139 -7.709) 14.564 5.194 ( -8.124 -4.569 10.508) 14.046 5.642 ( -15.186 6.847 3.770) 17.079 5.993 ( -1.337 -2.504 -6.169) 6.791 6.288 ( -7.622 2.952 8.790) 12.003 6.605 ( -6.754 2.271 -10.920) 13.040 6.794 ( -4.339 0.196 -6.175) 7.550 7.182 ( 5.302 -5.423 1.776) 7.789 7.545 ( 12.928 1.898 -4.050) 13.680 8.142 ( 1.971 -12.090 -4.332) 12.993 9.129 ( -16.821 -2.329 4.930) 17.682 9.559 ( -16.339 -0.042 20.483) 26.201 9.642 ( -5.087 -10.116 -2.613) 11.620 9.740 ( -4.922 9.185 0.492) 10.432 10.633 ( 6.672 -2.171 -2.034) 7.306 11.314 ( -2.821 7.060 3.243) 8.266 11.455 ( 12.381 0.988 -18.140) 21.984 12.603 ( 4.908 1.197 -0.555) 5.082 13.001 ( -4.523 -2.531 3.941) 6.511 13.224 ( -0.788 1.312 -3.682) 3.987 13.426 ( 2.319 -6.059 4.470) 7.879 14.477 ( 11.483 12.856 -8.020) 19.012 17.207 ( -3.148 -0.930 12.571) 12.993 18.729 ( 5.124 -4.831 -17.813) 19.154 19.380 ( -2.541 8.522 5.375) 10.391 19.439 ( -0.026 4.444 0.243) 4.451 20.324 ( 4.700 -10.215 -0.837) 11.276 22.962 ( 9.585 -6.341 -8.316) 14.186 23.439 ( -4.431 12.820 5.726) 14.723 24.549 ( 7.887 0.700 9.725) 12.541 ======================= Grid point 713 (357/432) ======================= q-point: (-0.36 -0.36 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.396 ( -17.953 -0.000 11.268) 21.197 3.486 ( -31.286 -0.000 -0.783) 31.296 3.765 ( 12.816 0.000 -5.500) 13.946 3.954 ( 23.078 0.000 4.561) 23.524 4.201 ( 7.631 0.000 2.742) 8.109 4.326 ( 2.247 0.000 -2.879) 3.652 4.857 ( 10.827 0.000 -9.294) 14.269 5.298 ( 0.032 0.000 -0.676) 0.677 6.040 ( -6.336 -0.000 -2.365) 6.763 6.090 ( -7.498 -0.000 3.495) 8.272 6.189 ( -12.465 -0.000 7.191) 14.391 6.842 ( 2.825 0.000 -0.485) 2.867 7.115 ( -4.889 -0.000 -9.396) 10.592 7.173 ( -4.604 -0.000 -2.988) 5.488 7.434 ( 8.500 0.000 -4.149) 9.459 7.575 ( 18.059 0.000 -0.638) 18.070 9.364 ( -16.406 -0.000 19.084) 25.167 9.627 ( -23.906 -0.000 5.903) 24.624 9.864 ( -17.393 -0.000 0.163) 17.394 10.159 ( -2.273 -0.000 11.015) 11.247 10.379 ( 5.159 0.000 -11.564) 12.662 11.391 ( 18.502 0.000 -19.455) 26.848 11.802 ( -10.782 -0.000 7.131) 12.927 12.255 ( 15.806 0.000 1.684) 15.895 12.890 ( 2.166 0.000 12.228) 12.418 13.088 ( -0.022 -0.000 -2.170) 2.171 13.363 ( -7.982 -0.000 3.564) 8.741 14.467 ( 13.571 0.000 -0.402) 13.577 17.456 ( -14.522 -0.000 -14.051) 20.207 18.650 ( 9.166 0.000 3.933) 9.974 19.476 ( 15.029 0.000 -6.651) 16.435 19.511 ( 10.471 0.000 8.494) 13.483 20.257 ( -29.115 -0.000 -9.975) 30.777 22.625 ( 20.061 0.000 -11.014) 22.885 23.736 ( -3.285 -0.000 5.436) 6.352 23.968 ( 9.133 0.000 13.963) 16.685 ======================= Grid point 714 (358/432) ======================= q-point: (-0.27 -0.36 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( -30.349 -4.580 2.158) 30.768 3.261 ( -22.753 -1.143 6.255) 23.625 3.833 ( 4.506 1.477 0.010) 4.742 4.208 ( 7.858 9.250 -7.079) 14.051 4.304 ( 19.957 -0.006 5.365) 20.666 4.434 ( 12.691 -7.576 -1.978) 14.912 4.932 ( 15.120 -0.005 -6.698) 16.537 5.240 ( -12.551 2.875 8.196) 15.264 5.923 ( -6.395 4.522 -1.472) 7.970 6.013 ( -7.804 -3.636 -0.814) 8.648 6.188 ( -8.593 -4.779 11.384) 15.042 6.886 ( -2.049 2.976 -9.136) 9.824 6.942 ( 3.602 -3.801 -3.042) 6.056 7.037 ( -5.329 3.329 -6.883) 9.319 7.501 ( 9.107 2.053 -2.065) 9.561 7.795 ( 16.570 -7.183 -6.368) 19.150 9.217 ( -20.295 -3.355 -3.619) 20.886 9.497 ( -21.367 -1.152 24.308) 32.385 9.702 ( -14.217 0.511 5.119) 15.120 10.107 ( -10.424 6.134 2.032) 12.264 10.438 ( 13.271 -2.050 -4.101) 14.040 11.402 ( 16.801 1.474 -17.176) 24.072 11.686 ( -13.737 4.269 5.621) 15.444 12.470 ( 12.302 -1.392 1.451) 12.465 12.998 ( 0.237 6.496 6.178) 8.968 13.148 ( 2.356 -9.377 1.436) 9.775 13.320 ( -3.951 0.632 3.034) 5.022 14.597 ( 12.730 3.284 -4.368) 13.853 17.193 ( -9.691 -0.562 -2.457) 10.013 18.733 ( 9.558 -0.523 -10.909) 14.513 19.553 ( 7.885 7.577 0.082) 10.936 19.679 ( -7.670 5.762 3.515) 10.216 19.930 ( -3.523 -13.326 -2.484) 14.006 22.737 ( 15.839 -2.865 -10.911) 19.445 23.735 ( -4.574 6.398 7.576) 10.920 24.269 ( 11.574 -1.420 12.153) 16.842 ======================= Grid point 715 (359/432) ======================= q-point: (-0.18 -0.36 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( -27.666 -7.435 2.496) 28.756 2.952 ( -30.154 -4.033 1.200) 30.446 3.887 ( 3.781 4.011 1.857) 5.817 4.152 ( 8.070 2.972 -7.302) 11.282 4.572 ( 11.058 0.835 4.369) 11.919 4.713 ( 20.156 -5.968 3.458) 21.304 5.046 ( 9.505 8.599 -3.359) 13.250 5.165 ( -9.700 0.521 13.676) 16.775 5.751 ( -14.627 6.196 3.531) 16.273 5.952 ( 1.081 -2.476 -6.507) 7.046 6.275 ( -5.073 -3.479 11.786) 13.295 6.620 ( -7.640 0.134 -16.811) 18.466 6.839 ( -6.711 3.787 -7.307) 10.619 7.097 ( 8.697 -4.028 1.614) 9.719 7.601 ( 12.901 4.601 -0.408) 13.703 7.955 ( 8.930 -10.056 -7.308) 15.306 9.002 ( -15.840 -9.222 0.445) 18.335 9.493 ( -23.960 -4.446 19.605) 31.277 9.619 ( -7.232 2.647 8.567) 11.520 9.914 ( -7.517 9.774 -2.064) 12.502 10.584 ( 10.375 -3.015 -2.067) 11.000 11.409 ( 10.178 3.698 -9.161) 14.184 11.525 ( -7.364 5.357 -2.476) 9.437 12.600 ( 4.747 -0.783 -0.436) 4.830 12.988 ( -3.779 2.087 3.419) 5.507 13.215 ( 1.351 -5.103 -6.164) 8.115 13.331 ( -1.146 -2.853 4.023) 5.064 14.641 ( 12.095 6.707 -8.746) 16.363 17.195 ( -0.912 -0.459 14.092) 14.129 18.658 ( 5.832 -3.282 -21.976) 22.972 19.440 ( -11.887 1.130 3.123) 12.342 19.623 ( 7.491 14.552 1.960) 16.484 20.124 ( 5.833 -13.680 1.797) 14.980 22.850 ( 14.691 -5.369 -9.641) 18.374 23.672 ( -6.802 12.444 7.675) 16.125 24.532 ( 8.497 -2.127 7.389) 11.460 ======================= Grid point 716 (360/432) ======================= q-point: (-0.09 -0.36 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( -27.288 -2.500 -2.742) 27.539 2.770 ( -25.245 -15.471 12.378) 32.092 3.874 ( 6.929 6.323 -5.991) 11.131 4.236 ( 8.732 -5.159 -2.325) 10.405 4.659 ( 0.471 3.662 0.771) 3.772 4.905 ( -17.030 11.233 13.444) 24.432 5.115 ( 19.046 0.167 10.074) 21.547 5.268 ( 9.875 4.804 -2.562) 11.277 5.561 ( -12.412 5.335 6.473) 14.981 5.939 ( 3.499 -0.614 -3.024) 4.666 6.275 ( -6.161 -2.724 -9.012) 11.252 6.419 ( -3.383 1.895 0.718) 3.944 6.688 ( -3.536 -0.787 -1.509) 3.924 7.213 ( 2.768 -2.788 -0.358) 3.945 7.701 ( 13.050 5.363 -8.160) 16.299 8.061 ( 1.741 -6.235 3.939) 7.577 8.959 ( -14.351 -9.587 10.586) 20.247 9.453 ( -8.360 -9.843 2.271) 13.112 9.616 ( -12.973 4.503 15.970) 21.062 9.759 ( -1.064 5.226 -0.991) 5.425 10.678 ( 4.952 0.651 -2.976) 5.814 11.286 ( -11.351 4.892 -1.128) 12.411 11.458 ( 14.981 2.383 -13.699) 20.439 12.599 ( -3.138 -0.822 -1.408) 3.537 12.961 ( -4.038 -2.585 0.728) 4.850 13.152 ( -1.577 -0.324 -6.449) 6.647 13.426 ( 0.542 -8.554 3.884) 9.410 14.601 ( 11.091 9.496 -12.736) 19.375 17.449 ( 6.484 4.024 22.788) 24.032 18.483 ( 1.935 -6.518 -21.476) 22.527 19.427 ( 4.350 -0.038 2.762) 5.153 19.584 ( 3.611 12.489 -1.622) 13.101 20.286 ( 0.835 -10.076 1.158) 10.176 22.970 ( 11.819 -2.875 -7.380) 14.227 23.534 ( -7.747 13.944 5.443) 16.855 24.674 ( 1.274 -3.159 1.906) 3.903 ======================= Grid point 725 (361/432) ======================= q-point: (-0.27 -0.27 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( -28.140 -0.000 5.799) 28.731 2.925 ( -31.708 -0.000 -2.165) 31.782 3.918 ( 2.931 0.000 6.412) 7.050 4.194 ( 5.666 0.000 -15.035) 16.068 4.581 ( 13.005 0.000 4.118) 13.641 4.648 ( 21.547 0.000 5.170) 22.158 5.114 ( 22.480 0.000 -5.678) 23.186 5.181 ( -21.123 -0.000 17.864) 27.664 5.822 ( -15.730 -0.000 2.282) 15.895 5.918 ( 3.600 0.000 -4.788) 5.990 6.233 ( -3.317 -0.000 11.647) 12.110 6.621 ( -8.353 -0.000 -17.794) 19.657 6.876 ( -7.645 -0.000 -8.140) 11.167 7.062 ( 9.558 0.000 1.420) 9.663 7.662 ( 12.049 0.000 5.142) 13.100 7.848 ( 12.968 0.000 -12.570) 18.060 8.915 ( -16.286 -0.000 -1.943) 16.401 9.457 ( -26.733 -0.000 22.478) 34.927 9.644 ( -8.608 -0.000 10.289) 13.414 10.004 ( -7.610 -0.000 -3.535) 8.391 10.556 ( 11.003 0.000 -2.301) 11.241 11.447 ( 16.744 0.000 -14.060) 21.865 11.567 ( -15.887 -0.000 5.089) 16.683 12.595 ( 6.247 0.000 -0.105) 6.248 13.062 ( -4.252 -0.000 -4.769) 6.389 13.097 ( -0.640 -0.000 2.371) 2.455 13.322 ( -0.216 -0.000 1.234) 1.253 14.697 ( 12.337 0.000 -9.076) 15.316 17.192 ( -0.076 -0.000 14.696) 14.696 18.629 ( 5.948 0.000 -23.658) 24.395 19.448 ( -11.965 -0.000 2.650) 12.255 19.863 ( 4.893 0.000 3.207) 5.850 19.892 ( 8.422 0.000 1.867) 8.626 22.804 ( 15.489 0.000 -9.986) 18.429 23.787 ( -6.620 -0.000 9.117) 11.267 24.507 ( 8.903 0.000 5.693) 10.568 ======================= Grid point 726 (362/432) ======================= q-point: (-0.18 -0.27 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( -31.559 0.781 -0.730) 31.577 2.546 ( -25.777 -9.480 9.996) 29.228 3.994 ( 5.778 7.376 -2.895) 9.807 4.138 ( 7.940 -6.419 -8.745) 13.444 4.702 ( 1.872 1.446 0.409) 2.400 5.010 ( -5.360 1.506 20.470) 21.213 5.133 ( 3.087 1.900 13.696) 14.167 5.330 ( 20.907 2.170 -7.601) 22.352 5.660 ( -11.807 4.732 5.829) 13.992 5.931 ( 5.558 -0.247 -3.821) 6.749 6.191 ( -9.253 -4.428 -15.806) 18.842 6.461 ( -1.597 1.635 10.495) 10.741 6.684 ( -4.997 0.086 -7.924) 9.369 7.173 ( 5.680 -1.456 -1.172) 5.979 7.794 ( 9.879 4.776 -12.293) 16.477 7.969 ( 11.554 -4.345 9.716) 15.709 8.785 ( -12.602 -7.481 6.725) 16.125 9.355 ( -16.856 -2.448 9.068) 19.296 9.675 ( -12.490 1.849 19.055) 22.859 9.850 ( -4.573 3.936 -5.224) 7.981 10.659 ( 8.974 -1.476 -3.796) 9.855 11.376 ( -17.088 3.730 0.830) 17.510 11.508 ( 15.005 2.267 -11.016) 18.752 12.610 ( -1.219 2.228 -2.174) 3.343 12.897 ( -7.289 -4.570 -7.396) 11.345 13.116 ( -2.198 -2.326 0.036) 3.200 13.343 ( 0.439 -1.676 1.536) 2.316 14.707 ( 11.621 3.216 -14.036) 18.504 17.500 ( 10.575 1.748 25.502) 27.663 18.399 ( 0.966 -2.876 -23.522) 23.716 19.423 ( 3.443 -0.166 1.938) 3.954 19.820 ( 2.018 14.583 -0.752) 14.741 20.086 ( 2.097 -13.291 1.542) 13.544 22.915 ( 16.303 -2.242 -8.589) 18.563 23.755 ( -8.987 8.985 8.721) 15.412 24.607 ( 1.134 -3.393 -2.355) 4.283 ======================= Grid point 727 (363/432) ======================= q-point: (-0.09 -0.27 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( -20.560 -4.828 9.206) 23.038 2.514 ( -18.885 -14.000 16.316) 28.616 3.949 ( 8.688 6.548 -7.623) 13.284 4.236 ( 7.806 -7.679 -6.793) 12.886 4.610 ( -8.809 2.918 -4.655) 10.382 4.892 ( -29.513 7.424 23.326) 38.344 5.370 ( 10.517 9.459 -13.849) 19.796 5.480 ( 1.450 11.840 10.758) 16.063 5.642 ( 16.827 -2.837 7.947) 18.825 5.975 ( -4.906 -3.538 -3.023) 6.762 6.005 ( 3.206 -8.484 -3.379) 9.678 6.474 ( 2.980 7.289 -2.202) 8.176 6.716 ( 1.504 -2.647 12.371) 12.740 7.198 ( 0.203 -0.523 -2.838) 2.893 7.678 ( 3.521 1.220 -17.273) 17.671 8.248 ( 6.340 6.423 15.580) 18.005 8.863 ( -10.365 -13.060 17.605) 24.247 9.291 ( -5.693 -7.785 -1.772) 9.806 9.669 ( -11.236 6.766 11.484) 17.433 9.790 ( -0.055 -0.533 5.710) 5.735 10.684 ( 0.451 3.690 -5.862) 6.941 11.101 ( -13.690 -0.998 -5.144) 14.658 11.541 ( 11.931 4.591 -9.266) 15.789 12.511 ( -6.342 0.813 -1.685) 6.612 12.830 ( -3.984 -9.965 -3.367) 11.248 13.082 ( -3.485 0.432 -0.165) 3.516 13.401 ( -0.166 -6.190 2.174) 6.563 14.625 ( 9.947 5.893 -17.877) 21.290 17.888 ( 10.732 10.310 15.840) 21.734 18.263 ( 8.010 -9.020 -10.178) 15.783 19.562 ( 12.637 0.436 0.767) 12.668 19.665 ( 0.275 11.939 -6.543) 13.617 20.186 ( -4.044 -11.273 0.494) 11.986 23.050 ( 14.557 -0.638 -6.424) 15.924 23.597 ( -10.931 15.759 5.152) 19.859 24.546 ( -9.038 -8.620 -7.265) 14.449 ======================= Grid point 737 (364/432) ======================= q-point: (-0.18 -0.18 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( -23.356 -0.000 9.155) 25.086 2.385 ( -18.250 -0.000 16.743) 24.767 4.057 ( 12.526 0.000 -14.377) 19.068 4.116 ( 4.756 0.000 -2.051) 5.180 4.635 ( -8.695 -0.000 -4.655) 9.863 4.957 ( -33.720 -0.000 26.252) 42.734 5.454 ( 10.952 0.000 -7.827) 13.461 5.581 ( 30.026 0.000 10.439) 31.789 5.689 ( -1.356 -0.000 5.663) 5.823 5.814 ( -10.622 -0.000 -16.313) 19.467 5.986 ( 3.511 0.000 2.504) 4.312 6.564 ( 2.608 0.000 -6.964) 7.437 6.669 ( 2.042 0.000 18.617) 18.728 7.193 ( 2.542 0.000 -3.640) 4.440 7.686 ( 2.335 0.000 -17.871) 18.023 8.327 ( 14.020 0.000 18.398) 23.132 8.714 ( -12.239 -0.000 14.923) 19.300 9.231 ( -9.984 -0.000 1.511) 10.097 9.756 ( -1.298 -0.000 -6.139) 6.275 9.763 ( -12.236 -0.000 23.036) 26.084 10.705 ( 8.203 0.000 -6.772) 10.637 11.107 ( -23.178 -0.000 -4.409) 23.593 11.589 ( 11.650 0.000 -8.732) 14.559 12.559 ( -3.984 -0.000 -3.982) 5.633 12.689 ( -7.066 -0.000 -2.110) 7.375 13.085 ( -3.668 -0.000 0.952) 3.790 13.352 ( 0.533 0.000 0.645) 0.836 14.675 ( 10.308 0.000 -18.625) 21.287 18.015 ( 19.605 0.000 25.847) 32.441 18.144 ( 0.714 0.000 -19.462) 19.475 19.557 ( 15.625 0.000 -0.280) 15.627 19.837 ( -4.240 -0.000 -7.542) 8.652 20.031 ( -3.059 -0.000 2.471) 3.932 23.034 ( 17.311 0.000 -7.452) 18.847 23.771 ( -10.796 -0.000 8.733) 13.886 24.446 ( -10.538 -0.000 -11.624) 15.690 ======================= Grid point 738 (365/432) ======================= q-point: (-0.09 -0.18 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -3.526 -3.554 21.340) 21.919 2.444 ( -11.723 -7.314 21.788) 25.800 4.033 ( 7.472 7.053 -6.876) 12.364 4.164 ( 5.965 -7.886 -8.492) 13.034 4.411 ( -12.972 1.538 -7.010) 14.825 4.833 ( -22.977 2.459 21.086) 31.283 5.367 ( 0.110 14.257 -15.475) 21.042 5.556 ( -3.155 -4.808 -4.360) 7.216 5.720 ( -4.058 -1.539 1.531) 4.602 6.023 ( 12.780 -5.125 -1.001) 13.805 6.172 ( 12.875 1.443 21.782) 25.344 6.591 ( 12.400 3.581 -3.138) 13.282 6.903 ( -0.611 0.314 17.680) 17.694 7.157 ( 0.427 0.589 -4.490) 4.548 7.500 ( 0.925 -0.337 -16.355) 16.384 8.593 ( 0.558 15.606 18.942) 24.549 8.873 ( -5.535 -15.499 22.461) 27.845 9.142 ( -4.853 -4.800 -2.821) 7.385 9.688 ( 0.177 2.391 -1.792) 2.993 9.901 ( -4.450 -0.785 19.270) 19.793 10.609 ( -12.611 12.587 -6.333) 18.910 10.828 ( -5.629 -12.956 -7.252) 15.878 11.581 ( 5.727 2.616 -10.891) 12.579 12.431 ( -5.483 3.746 -2.586) 7.126 12.700 ( -2.644 -9.444 5.034) 11.023 13.034 ( -3.143 0.123 -1.491) 3.481 13.374 ( -0.375 -3.011 0.715) 3.118 14.557 ( 8.248 2.801 -20.654) 22.416 17.961 ( 3.119 2.270 -14.250) 14.763 18.561 ( 23.300 -0.170 17.877) 29.369 19.580 ( -8.990 10.018 -12.072) 18.080 19.813 ( 24.269 -0.952 -3.469) 24.534 20.031 ( -8.572 -8.759 4.689) 13.122 23.176 ( 15.468 0.200 -5.952) 16.575 23.627 ( -13.669 16.969 3.833) 22.124 24.141 ( -20.301 -14.176 -12.528) 27.750 ======================= Grid point 749 (366/432) ======================= q-point: (-0.09 -0.09 0.38) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 6.351 0.000 23.543) 24.384 2.577 ( -5.862 -0.000 26.056) 26.707 4.036 ( -2.296 -0.000 -0.526) 2.355 4.163 ( 0.656 0.000 -8.127) 8.153 4.170 ( 2.535 0.000 -10.112) 10.425 4.837 ( -10.057 -0.000 14.014) 17.249 5.217 ( -8.888 -0.000 -15.980) 18.285 5.319 ( -4.129 -0.000 -13.104) 13.739 5.797 ( -1.036 -0.000 12.597) 12.640 6.088 ( 2.123 0.000 3.264) 3.894 6.598 ( 11.296 0.000 17.171) 20.554 6.729 ( 9.471 0.000 -2.218) 9.727 7.058 ( -0.047 -0.000 7.213) 7.214 7.116 ( 3.069 0.000 -5.127) 5.976 7.412 ( 4.619 0.000 -2.085) 5.067 8.893 ( -13.327 -0.000 28.665) 31.612 8.988 ( 3.553 0.000 16.292) 16.675 9.038 ( -3.757 -0.000 -0.431) 3.781 9.679 ( 4.035 0.000 -6.320) 7.498 10.059 ( -8.801 -0.000 19.749) 21.621 10.428 ( -15.507 -0.000 3.617) 15.923 10.656 ( 5.767 0.000 -13.630) 14.800 11.478 ( 0.734 0.000 -14.763) 14.782 12.340 ( -6.990 -0.000 -3.678) 7.899 12.736 ( -0.723 -0.000 10.597) 10.622 12.983 ( 1.546 0.000 -4.404) 4.667 13.360 ( -1.119 -0.000 0.643) 1.291 14.426 ( 6.110 0.000 -20.046) 20.957 17.875 ( 6.159 0.000 -11.975) 13.466 19.040 ( 23.214 0.000 11.163) 25.758 19.294 ( -12.361 -0.000 -19.328) 22.942 19.845 ( -9.074 -0.000 -0.689) 9.100 20.223 ( 25.890 0.000 8.134) 27.138 23.303 ( 12.780 0.000 -5.224) 13.806 23.533 ( -29.203 -0.000 -16.609) 33.596 23.623 ( -12.728 -0.000 5.318) 13.795 ======================= Grid point 750 (367/432) ======================= q-point: ( 0.00 0.00 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.255 ( 3.037 0.000 11.303) 11.704 3.377 ( -2.900 -0.000 1.862) 3.446 3.803 ( 2.697 0.000 2.244) 3.508 3.939 ( -0.590 -0.000 -11.037) 11.052 4.265 ( 4.632 0.000 10.538) 11.511 4.545 ( -0.584 -0.000 -8.996) 9.015 4.627 ( 2.290 0.000 -4.626) 5.162 4.683 ( -9.457 -0.000 -5.628) 11.005 6.385 ( 4.341 0.000 6.396) 7.730 6.425 ( 0.648 0.000 2.808) 2.882 6.711 ( -8.234 -0.000 4.823) 9.543 6.829 ( 2.306 0.000 -4.792) 5.317 6.996 ( -11.066 -0.000 3.817) 11.705 7.121 ( 10.663 0.000 -6.467) 12.470 8.413 ( 13.477 0.000 23.869) 27.411 8.840 ( -15.862 -0.000 -17.840) 23.872 9.367 ( 3.038 0.000 8.132) 8.681 9.504 ( 1.639 0.000 -5.098) 5.355 9.631 ( -12.920 -0.000 20.661) 24.368 10.035 ( 8.289 0.000 -19.311) 21.015 10.418 ( -11.730 -0.000 23.165) 25.966 10.847 ( 9.137 0.000 -19.333) 21.383 11.234 ( 14.942 0.000 17.730) 23.186 11.580 ( -13.667 -0.000 -16.070) 21.096 12.967 ( -6.221 -0.000 0.976) 6.297 12.997 ( 9.553 0.000 -2.556) 9.889 13.583 ( -2.632 -0.000 12.772) 13.040 13.856 ( 2.976 0.000 -13.689) 14.008 17.898 ( 13.014 0.000 4.016) 13.620 18.082 ( -14.357 -0.000 -14.001) 20.054 19.636 ( -13.872 -0.000 3.505) 14.308 19.677 ( 12.055 0.000 -0.436) 12.063 21.581 ( 32.404 0.000 17.885) 37.012 21.958 ( -31.779 -0.000 -18.879) 36.964 23.429 ( -11.615 -0.000 1.654) 11.732 23.467 ( 12.017 0.000 -2.397) 12.254 ======================= Grid point 751 (368/432) ======================= q-point: ( 0.09 0.00 -0.54) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.300 ( -3.355 0.084 -6.862) 7.639 3.421 ( 6.610 -1.031 4.903) 8.294 3.794 ( -3.965 -0.100 -5.775) 7.006 3.889 ( 3.122 0.888 4.675) 5.691 4.327 ( -3.355 0.483 -15.221) 15.594 4.441 ( 2.300 4.787 12.873) 13.926 4.562 ( -5.622 -2.160 1.003) 6.106 4.791 ( 9.925 -7.070 5.902) 13.540 6.387 ( -3.436 0.760 -4.691) 5.864 6.441 ( -1.104 -0.435 -2.217) 2.515 6.701 ( -4.629 0.249 8.746) 9.899 6.840 ( 0.864 -0.067 -5.072) 5.145 6.866 ( -14.390 -1.434 9.636) 17.378 7.145 ( 2.820 -1.175 -5.747) 6.508 8.352 ( -16.203 11.450 -18.478) 27.112 8.767 ( 10.133 15.639 19.516) 26.984 9.412 ( -5.445 -2.397 -2.455) 6.436 9.481 ( -2.416 -10.921 -1.760) 11.323 9.762 ( -6.442 -1.230 20.343) 21.374 9.987 ( 9.857 -8.385 -15.282) 20.025 10.573 ( -3.601 1.377 20.981) 21.332 10.756 ( 9.380 -0.849 -17.741) 20.086 11.257 ( -1.646 4.297 -18.287) 18.857 11.645 ( 18.741 1.348 15.895) 24.611 12.904 ( -6.770 -5.504 -0.795) 8.761 13.102 ( 7.327 -6.086 -3.178) 10.041 13.675 ( -4.700 2.807 12.992) 14.098 13.724 ( 2.498 1.648 -13.204) 13.539 17.785 ( -12.737 -0.718 -7.694) 14.898 18.164 ( 14.306 -0.926 10.681) 17.877 19.469 ( -15.379 2.811 2.171) 15.784 19.778 ( 5.200 1.114 -0.196) 5.322 21.347 ( -26.887 1.319 -19.437) 33.204 22.202 ( 30.883 0.666 18.446) 35.978 23.310 ( -10.209 -1.298 1.027) 10.342 23.608 ( 12.189 -1.804 -1.349) 12.396 ======================= Grid point 752 (369/432) ======================= q-point: ( 0.18 0.00 -0.54) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.146 ( -5.242 -3.206 -11.672) 13.191 3.478 ( 0.287 -5.939 -9.914) 11.560 3.799 ( 4.203 0.602 7.637) 8.738 3.939 ( -1.962 3.502 3.765) 5.503 4.171 ( 3.156 -5.553 -11.945) 13.545 4.482 ( 0.086 9.418 6.978) 11.722 4.641 ( 0.178 2.790 13.700) 13.982 5.068 ( 8.590 -10.211 7.273) 15.197 6.239 ( -7.612 -0.299 -7.893) 10.969 6.346 ( -7.622 0.589 -2.329) 7.992 6.665 ( -18.654 -2.325 1.627) 18.868 6.763 ( -0.460 1.095 7.968) 8.056 6.891 ( -0.053 3.479 -0.547) 3.522 7.112 ( -0.471 -5.309 -3.753) 6.519 7.871 ( -10.965 12.329 -15.761) 22.818 8.837 ( 5.713 25.202 6.840) 26.731 9.320 ( -5.136 -1.988 -4.128) 6.883 9.513 ( -6.070 -12.451 -0.601) 13.865 9.894 ( -5.926 2.767 16.891) 18.113 10.033 ( -2.155 -20.290 -10.298) 22.856 10.661 ( 7.611 5.140 -4.668) 10.302 10.829 ( 6.177 -0.797 12.323) 13.808 11.072 ( 14.650 5.388 -21.824) 26.832 12.030 ( 18.001 2.850 11.501) 21.551 12.877 ( -4.384 -8.078 -0.439) 9.201 13.186 ( 1.953 -9.401 -5.813) 11.224 13.621 ( 4.843 -0.809 -9.688) 10.862 13.725 ( -5.886 3.788 12.697) 14.498 17.584 ( -11.016 0.167 -1.292) 11.093 18.512 ( 14.424 -0.947 15.266) 21.024 19.247 ( -14.298 4.599 -1.245) 15.071 19.791 ( -4.844 -0.971 1.990) 5.326 20.826 ( -16.135 2.453 -18.967) 25.021 22.758 ( 25.584 3.642 16.658) 30.745 23.203 ( -8.603 -0.929 -0.259) 8.657 23.794 ( 12.658 -5.337 1.372) 13.806 ======================= Grid point 753 (370/432) ======================= q-point: ( 0.27 0.00 -0.54) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( -5.316 -9.573 -14.961) 18.541 3.377 ( -4.520 -9.901 -10.852) 15.369 3.816 ( -10.564 1.163 1.603) 10.748 4.033 ( 12.838 2.356 7.624) 15.116 4.235 ( 10.279 -8.118 -6.268) 14.520 4.488 ( 0.473 14.575 10.790) 18.141 4.766 ( 1.449 5.242 11.717) 12.918 5.322 ( 4.514 -8.825 7.594) 12.487 6.019 ( -12.990 3.340 -4.661) 14.200 6.218 ( -9.084 -2.147 -1.176) 9.408 6.445 ( -17.858 -1.391 -1.227) 17.954 6.758 ( -5.810 2.439 -8.211) 10.349 6.845 ( 0.903 1.799 7.523) 7.787 7.166 ( 2.597 -5.336 0.500) 5.956 7.525 ( -2.857 9.888 -12.759) 16.393 8.711 ( 3.137 24.352 -1.630) 24.607 9.225 ( -7.725 -5.272 -2.051) 9.575 9.521 ( -4.156 -10.341 -2.610) 11.447 9.945 ( -4.627 8.192 11.811) 15.101 9.987 ( -14.674 -18.424 -5.092) 24.098 10.685 ( 8.913 8.480 -1.644) 12.411 11.023 ( 21.461 1.588 -20.748) 29.892 11.083 ( 8.020 -0.372 9.925) 12.765 12.296 ( 12.032 1.395 4.071) 12.779 12.925 ( 0.978 -6.078 1.017) 6.239 13.177 ( -0.290 -7.726 -7.171) 10.545 13.627 ( 1.929 -0.798 -1.303) 2.461 13.794 ( -1.041 -4.075 8.925) 9.867 17.464 ( -9.584 2.145 5.368) 11.193 18.843 ( 8.796 5.348 10.512) 14.713 19.037 ( -5.773 -0.575 -1.997) 6.136 19.704 ( -16.487 -4.131 2.926) 17.247 20.491 ( -1.390 3.638 -14.150) 14.676 23.088 ( -12.029 -5.828 0.752) 13.387 23.155 ( 21.825 12.840 8.222) 26.623 24.070 ( 13.594 -8.994 6.585) 17.580 ======================= Grid point 754 (371/432) ======================= q-point: ( 0.36 0.00 -0.54) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( -7.058 -10.717 -15.897) 20.430 3.344 ( 0.588 -13.117 -5.801) 14.355 3.677 ( -12.465 2.266 3.196) 13.066 4.280 ( 14.295 -3.028 3.106) 14.938 4.318 ( 3.171 -0.361 -4.102) 5.197 4.542 ( 3.326 8.169 12.416) 15.230 4.861 ( 5.994 8.141 7.565) 12.626 5.481 ( -4.616 -5.248 7.757) 10.442 5.771 ( -13.152 4.398 -0.408) 13.874 6.119 ( -8.011 1.405 0.307) 8.139 6.239 ( -12.607 -6.982 -2.161) 14.573 6.565 ( -3.441 0.568 -12.549) 13.025 6.898 ( -4.107 3.654 7.322) 9.156 7.230 ( 0.975 -1.194 0.285) 1.568 7.363 ( 8.071 3.713 -9.904) 13.305 8.498 ( -0.839 18.815 -5.156) 19.527 9.181 ( -9.049 -7.357 3.791) 12.263 9.528 ( 0.587 -8.730 -5.300) 10.230 9.852 ( -11.596 -6.586 -3.537) 13.797 9.952 ( -7.949 5.125 11.752) 15.085 10.692 ( 5.336 9.729 0.320) 11.101 11.047 ( 20.573 0.332 -21.555) 29.799 11.268 ( 3.354 0.053 7.070) 7.825 12.447 ( 7.347 -2.883 1.143) 7.975 12.959 ( -0.786 -3.809 -3.220) 5.049 13.197 ( 3.720 -4.099 -3.451) 6.523 13.639 ( -1.124 3.336 5.568) 6.587 13.956 ( 3.672 -11.543 3.193) 12.526 17.435 ( -7.398 2.183 12.799) 14.943 18.711 ( -3.539 6.672 -13.615) 15.569 19.208 ( 8.466 -0.603 9.427) 12.685 19.535 ( -16.544 -3.795 2.013) 17.093 20.394 ( 4.790 1.595 -5.152) 7.213 22.974 ( -7.627 -1.832 -2.223) 8.153 23.351 ( 11.102 8.401 4.508) 14.634 24.409 ( 11.705 -8.225 9.086) 16.947 ======================= Grid point 755 (372/432) ======================= q-point: (-0.55 0.00 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( -8.073 -4.848 -9.400) 13.305 3.431 ( -8.568 -4.946 7.178) 12.222 3.552 ( 2.011 -0.601 -5.038) 5.458 4.267 ( -0.924 0.765 -3.330) 3.539 4.522 ( 12.966 -3.697 2.122) 13.649 4.620 ( -3.347 0.314 4.801) 5.861 5.023 ( 15.434 6.360 7.970) 18.498 5.391 ( -17.618 -0.985 0.693) 17.659 5.690 ( -6.713 -2.598 7.280) 10.238 6.004 ( -4.650 5.660 3.510) 8.123 6.205 ( -3.717 -8.730 -1.246) 9.570 6.374 ( -0.004 1.461 -14.961) 15.032 6.846 ( -7.430 3.587 5.154) 9.728 7.243 ( 1.516 0.463 -0.559) 1.681 7.396 ( 9.691 -0.702 -6.608) 11.750 8.306 ( -2.525 10.135 -1.766) 10.593 9.175 ( -8.039 -4.478 5.489) 10.715 9.577 ( 4.826 -7.842 -4.141) 10.096 9.714 ( -8.675 0.016 -2.538) 9.038 9.941 ( -8.898 4.406 12.533) 15.989 10.682 ( 1.224 6.669 2.773) 7.325 11.045 ( 15.174 0.150 -19.292) 24.545 11.334 ( 1.016 1.141 1.914) 2.449 12.564 ( 3.591 -3.312 1.094) 5.006 12.930 ( -0.807 -3.347 -4.106) 5.358 13.205 ( -0.416 0.806 -1.394) 1.663 13.673 ( 0.421 4.580 5.772) 7.380 14.117 ( 4.729 -10.724 -1.964) 11.884 17.542 ( -3.332 -1.308 18.495) 18.838 18.431 ( -0.719 5.678 -20.052) 20.852 19.372 ( 4.335 -0.070 4.131) 5.988 19.432 ( -5.497 -1.778 1.598) 5.995 20.415 ( 2.646 0.550 -0.149) 2.707 22.888 ( -4.325 -2.740 -2.006) 5.499 23.431 ( 4.940 4.667 1.638) 6.991 24.668 ( 5.709 -4.145 5.861) 9.172 ======================= Grid point 756 (373/432) ======================= q-point: (-0.45 0.00 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( -5.507 3.477 2.790) 7.085 3.279 ( -18.964 12.517 12.575) 25.970 3.668 ( 13.961 -5.331 -6.917) 16.468 4.235 ( 1.418 1.306 -1.475) 2.428 4.574 ( -7.882 -3.802 -1.961) 8.968 4.711 ( 9.848 -7.508 -3.669) 12.915 5.145 ( -19.158 -8.550 -3.328) 21.242 5.310 ( 15.067 1.482 7.886) 17.070 5.724 ( -0.879 2.412 5.527) 6.094 6.017 ( -3.125 -2.206 9.892) 10.606 6.188 ( 2.772 5.836 -2.956) 7.105 6.247 ( 2.788 -2.304 -9.028) 9.726 6.833 ( -2.269 -0.588 7.448) 7.808 7.231 ( -3.111 -0.422 -0.359) 3.160 7.422 ( 6.250 -1.142 -9.246) 11.218 8.250 ( -2.167 -0.947 4.338) 4.941 9.187 ( -2.050 0.047 5.608) 5.971 9.558 ( -4.808 7.091 -3.557) 9.277 9.685 ( 6.224 -4.549 0.004) 7.709 9.937 ( -11.968 0.269 13.833) 18.294 10.673 ( -2.851 3.565 4.474) 6.392 10.999 ( 7.642 -2.325 -16.093) 17.966 11.353 ( 3.218 1.818 -0.404) 3.718 12.589 ( -2.159 0.638 -0.954) 2.445 12.906 ( 0.506 -0.263 -2.422) 2.488 13.170 ( -3.407 1.235 2.102) 4.189 13.680 ( -1.186 6.897 4.196) 8.159 14.194 ( 4.732 -7.150 -8.670) 12.194 17.741 ( 0.430 -4.257 9.523) 10.440 18.217 ( 4.530 1.885 -9.489) 10.683 19.421 ( -1.130 -2.686 -0.857) 3.037 19.453 ( 6.633 0.936 -0.404) 6.711 20.416 ( -1.450 2.365 0.274) 2.787 22.873 ( -0.227 -4.848 -0.660) 4.898 23.450 ( 0.074 0.344 -0.185) 0.398 24.733 ( -2.555 1.419 -0.556) 2.975 ======================= Grid point 757 (374/432) ======================= q-point: (-0.36 0.00 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( -0.527 9.575 14.167) 17.108 3.102 ( -13.113 15.457 15.155) 25.309 3.795 ( 12.538 -0.319 -4.774) 13.420 4.221 ( 0.901 4.638 -1.070) 4.844 4.431 ( -12.567 -5.554 -6.196) 15.072 4.807 ( 4.878 -11.939 -12.234) 17.776 4.951 ( -14.813 -11.458 -2.299) 18.867 5.593 ( 11.182 -4.566 6.990) 13.955 5.700 ( -0.496 5.554 -3.366) 6.513 6.134 ( 0.935 1.765 5.086) 5.464 6.213 ( 9.699 2.617 6.087) 11.746 6.281 ( 7.823 -0.888 2.320) 8.208 6.970 ( 4.352 -5.155 8.540) 10.883 7.158 ( -8.834 -1.881 0.229) 9.035 7.361 ( 2.305 1.497 -10.270) 10.631 8.361 ( -1.320 -12.487 8.605) 15.222 9.246 ( 4.519 3.761 2.738) 6.485 9.400 ( -4.553 10.783 1.774) 11.838 9.804 ( 10.100 4.701 1.265) 11.212 9.952 ( -14.673 -8.332 14.026) 21.942 10.643 ( -7.808 3.248 7.186) 11.097 10.914 ( 1.666 -2.192 -12.682) 12.977 11.373 ( 3.704 0.296 -3.760) 5.286 12.489 ( -6.397 2.822 -2.754) 7.515 12.901 ( 1.925 3.030 1.148) 3.769 13.135 ( -5.424 2.226 3.214) 6.686 13.626 ( -3.536 9.033 3.813) 10.423 14.169 ( 5.147 -4.765 -14.765) 16.346 17.734 ( 3.309 -1.718 -13.555) 14.058 18.400 ( 10.425 -6.694 14.113) 18.780 19.366 ( -6.425 -4.839 -5.964) 10.014 19.575 ( 16.739 2.874 -1.988) 17.100 20.345 ( -5.032 4.542 0.677) 6.813 22.943 ( 3.004 -7.019 0.584) 7.657 23.422 ( -4.283 -3.592 -2.435) 6.097 24.566 ( -10.918 7.489 -6.313) 14.667 ======================= Grid point 758 (375/432) ======================= q-point: (-0.27 0.00 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 3.722 9.248 18.514) 21.028 3.059 ( -5.071 13.544 19.255) 24.082 3.898 ( 11.299 1.188 -3.450) 11.874 4.141 ( -1.105 5.956 -3.643) 7.069 4.220 ( -14.964 -4.451 -5.947) 16.706 4.766 ( -1.234 -16.787 -15.780) 23.073 4.911 ( -5.584 -8.193 -1.296) 9.999 5.512 ( -3.441 8.135 -11.238) 14.294 5.845 ( 2.642 -3.570 12.616) 13.375 6.181 ( 8.257 7.595 1.712) 11.349 6.446 ( 15.659 -4.130 1.101) 16.232 6.506 ( 9.158 -3.359 12.462) 15.826 7.025 ( -3.712 -2.317 -6.623) 7.938 7.226 ( -1.344 -2.767 11.929) 12.319 7.251 ( 3.806 -0.382 -4.444) 5.863 8.590 ( -2.848 -21.558 9.862) 23.877 9.217 ( 2.205 9.823 -1.963) 10.258 9.394 ( 0.769 5.427 10.283) 11.653 9.868 ( 8.531 19.386 6.041) 22.025 10.038 ( -8.290 -19.217 6.445) 21.899 10.586 ( -15.784 3.861 14.980) 22.101 10.790 ( 0.846 2.526 -11.151) 11.465 11.319 ( -0.750 -1.173 -10.628) 10.719 12.353 ( -7.755 -0.136 -2.367) 8.110 12.928 ( 2.660 3.774 2.242) 5.133 13.059 ( -5.013 6.412 3.108) 8.712 13.538 ( -5.089 9.117 4.212) 11.259 14.093 ( 6.239 -4.624 -17.334) 18.994 17.657 ( 6.509 -2.047 -12.532) 14.269 18.780 ( 13.120 -9.530 11.121) 19.663 19.192 ( -9.704 -2.863 -11.645) 15.426 19.766 ( 18.312 3.034 -3.398) 18.870 20.281 ( -1.674 4.205 6.763) 8.137 23.062 ( 1.811 -10.029 1.027) 10.243 23.332 ( -7.025 -4.239 -6.984) 10.775 24.214 ( -16.427 12.397 -7.559) 21.924 ======================= Grid point 759 (376/432) ======================= q-point: (-0.18 0.00 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.848 ( 5.209 3.631 17.298) 18.427 3.160 ( -1.451 9.326 20.949) 22.977 3.966 ( 1.265 -0.927 -6.882) 7.059 4.021 ( -7.763 -0.997 1.032) 7.894 4.061 ( 6.501 4.184 -6.974) 10.411 4.696 ( -4.542 -14.514 -13.911) 20.611 4.867 ( -2.790 -4.507 -6.352) 8.273 5.238 ( -7.759 10.070 -9.858) 16.087 6.034 ( 2.808 -0.307 12.561) 12.874 6.255 ( 4.338 4.709 5.573) 8.488 6.670 ( 10.891 -2.707 0.983) 11.266 6.796 ( 11.074 -6.791 5.210) 13.996 6.940 ( -1.146 -0.986 -4.546) 4.791 7.124 ( 1.596 6.957 -5.339) 8.913 7.543 ( 6.913 -9.130 16.235) 19.868 8.838 ( -5.255 -26.753 6.249) 27.972 9.192 ( 0.487 5.931 6.808) 9.042 9.475 ( 3.215 4.698 5.717) 8.068 9.834 ( 1.310 25.170 8.212) 26.509 10.155 ( 1.426 -14.973 -5.590) 16.046 10.494 ( -22.339 3.309 15.962) 27.655 10.706 ( 3.434 4.820 2.403) 6.388 11.149 ( -2.032 -1.414 -15.776) 15.969 12.206 ( -12.454 -3.879 -5.897) 14.315 12.915 ( 3.712 4.801 -3.654) 7.083 13.035 ( -0.541 8.773 8.909) 12.515 13.460 ( -4.972 4.826 5.228) 8.680 14.021 ( 6.222 -4.483 -16.064) 17.801 17.656 ( 8.893 -1.334 -7.692) 11.833 18.852 ( -13.925 -3.967 -17.232) 22.507 19.176 ( 16.935 -3.955 5.609) 18.273 19.830 ( -0.320 1.067 -2.110) 2.387 20.491 ( 19.537 2.363 13.694) 23.975 23.036 ( -26.777 -16.597 -8.943) 32.748 23.241 ( 13.418 5.208 -5.390) 15.369 23.832 ( -15.765 11.230 -2.561) 19.524 ======================= Grid point 760 (377/432) ======================= q-point: (-0.09 0.00 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.074 ( 3.102 0.155 14.427) 14.758 3.310 ( -1.478 3.197 15.986) 16.369 3.825 ( -3.900 -0.959 -5.841) 7.089 4.014 ( 3.464 0.721 -5.152) 6.250 4.116 ( 7.920 0.442 1.110) 8.010 4.588 ( -3.652 -4.857 -7.284) 9.486 4.765 ( -2.746 -4.251 -11.621) 12.676 4.937 ( -9.589 8.905 -8.587) 15.652 6.220 ( 4.472 -0.076 11.135) 11.999 6.345 ( 2.087 1.698 7.434) 7.906 6.754 ( -3.410 -1.215 2.600) 4.457 6.881 ( 0.834 -0.739 -6.797) 6.888 6.996 ( 7.115 -3.389 0.588) 7.903 7.073 ( 5.817 5.179 -3.484) 8.532 7.948 ( 11.879 -7.430 20.910) 25.170 9.011 ( -7.528 -26.076 -3.288) 27.340 9.259 ( 0.570 4.576 9.246) 10.332 9.518 ( 4.318 4.134 -0.799) 6.031 9.676 ( -10.293 21.900 13.147) 27.539 10.156 ( 5.604 -4.151 -16.820) 18.208 10.376 ( -18.257 1.904 17.843) 25.599 10.881 ( 7.491 -0.011 16.675) 18.281 10.972 ( 3.575 -0.454 -17.354) 17.724 11.937 ( -16.709 -3.086 -12.392) 21.030 12.922 ( 8.779 4.048 -2.741) 10.049 13.029 ( -3.547 6.419 4.910) 8.825 13.478 ( -2.670 -0.291 9.777) 10.140 13.953 ( 4.753 -2.739 -14.231) 15.252 17.733 ( 11.067 -0.166 -2.285) 11.302 18.463 ( -15.054 0.110 -18.215) 23.631 19.472 ( 16.246 -3.091 1.831) 16.639 19.754 ( -9.945 -0.734 2.057) 10.182 20.981 ( 29.794 0.865 16.119) 33.886 22.568 ( -31.870 -4.423 -17.141) 36.456 23.346 ( 12.195 1.102 -2.889) 12.581 23.583 ( -12.992 4.036 1.333) 13.670 ======================= Grid point 762 (378/432) ======================= q-point: ( 0.09 0.09 -0.54) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.122 ( -7.401 -0.000 -12.070) 14.159 3.421 ( -0.884 -0.000 -11.505) 11.539 3.804 ( 4.003 0.000 7.858) 8.818 3.979 ( 4.630 0.000 1.633) 4.909 4.111 ( -3.783 -0.000 -11.119) 11.745 4.577 ( 1.997 0.000 9.291) 9.503 4.690 ( 1.052 0.000 16.329) 16.363 4.939 ( 7.463 0.000 6.058) 9.613 6.236 ( -6.845 -0.000 -8.654) 11.034 6.355 ( -5.462 -0.000 -4.441) 7.040 6.643 ( -20.245 -0.000 4.395) 20.717 6.772 ( -2.766 -0.000 10.182) 10.551 6.942 ( 5.916 0.000 2.157) 6.297 7.048 ( -4.369 -0.000 -7.925) 9.049 7.977 ( -13.935 -0.000 -17.948) 22.723 9.142 ( 1.966 0.000 16.056) 16.176 9.277 ( -0.403 -0.000 -9.894) 9.903 9.383 ( -7.300 -0.000 4.063) 8.354 9.813 ( -0.596 -0.000 -18.348) 18.358 9.919 ( -5.826 -0.000 19.495) 20.347 10.708 ( 12.980 0.000 -12.700) 18.160 10.819 ( 4.543 0.000 18.505) 19.054 11.130 ( 14.503 0.000 -23.284) 27.431 12.061 ( 17.404 0.000 12.911) 21.670 12.804 ( -3.924 -0.000 0.639) 3.975 13.092 ( 2.693 0.000 -5.893) 6.479 13.614 ( 3.448 0.000 -12.411) 12.881 13.763 ( -7.257 -0.000 13.628) 15.440 17.586 ( -10.558 -0.000 -0.537) 10.572 18.504 ( 14.763 0.000 16.142) 21.875 19.290 ( -15.145 -0.000 -1.091) 15.184 19.779 ( -7.604 -0.000 2.204) 7.917 20.847 ( -14.019 -0.000 -20.871) 25.142 22.782 ( 21.186 0.000 19.787) 28.989 23.209 ( -3.651 -0.000 0.413) 3.675 23.742 ( 12.062 0.000 -1.157) 12.117 ======================= Grid point 763 (379/432) ======================= q-point: ( 0.18 0.09 -0.54) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.866 ( -8.662 -3.416 -14.806) 17.491 3.249 ( -3.273 -4.554 -14.087) 15.162 3.831 ( -7.565 0.602 -2.687) 8.051 4.053 ( 7.369 0.018 1.562) 7.533 4.139 ( 10.812 -2.710 3.355) 11.640 4.718 ( 1.107 10.126 15.492) 18.541 4.844 ( 1.373 4.997 13.278) 14.254 5.131 ( 1.762 -11.866 7.346) 14.067 6.050 ( -7.625 0.437 -6.016) 9.722 6.206 ( -8.730 0.337 -5.239) 10.187 6.434 ( -19.187 -0.171 3.440) 19.494 6.781 ( -12.650 0.398 0.132) 12.656 6.908 ( 3.761 4.707 0.852) 6.085 7.070 ( 5.221 -5.276 0.673) 7.453 7.632 ( -7.675 3.034 -14.713) 16.870 9.098 ( -0.603 20.015 0.699) 20.036 9.214 ( -3.763 3.136 -6.570) 8.195 9.361 ( -6.880 -7.849 3.666) 11.063 9.640 ( -9.149 -19.759 -13.074) 25.398 10.040 ( -7.754 2.956 18.972) 20.707 10.793 ( 17.757 3.363 -6.627) 19.250 11.068 ( 20.090 3.060 -21.000) 29.223 11.096 ( 9.906 0.419 8.339) 12.955 12.330 ( 9.176 1.801 3.944) 10.149 12.854 ( 5.043 -1.952 4.798) 7.229 13.038 ( -1.610 -6.659 -8.113) 10.619 13.560 ( 5.978 -3.100 -9.444) 11.599 13.810 ( -8.974 1.785 15.255) 17.789 17.489 ( -9.081 0.779 5.873) 10.843 18.892 ( 13.662 0.974 18.481) 23.003 19.055 ( -12.955 1.611 -6.130) 14.422 19.646 ( -18.167 -2.202 3.542) 18.640 20.532 ( 0.470 1.217 -18.299) 18.345 22.978 ( -12.436 -3.710 5.938) 14.272 23.397 ( 23.181 10.679 10.856) 27.735 23.916 ( 12.073 -7.622 0.886) 14.305 ======================= Grid point 764 (380/432) ======================= q-point: ( 0.27 0.09 -0.54) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( -4.155 -6.926 -14.146) 16.289 3.144 ( 1.239 -9.796 -10.275) 14.250 3.686 ( -10.886 -0.456 0.032) 10.895 4.140 ( 3.103 -6.515 -3.727) 8.122 4.376 ( 13.619 1.997 6.833) 15.367 4.755 ( -4.374 15.442 14.739) 21.790 4.977 ( 3.167 5.491 12.095) 13.656 5.312 ( -5.473 -13.490 8.648) 16.933 5.876 ( -9.418 6.091 -3.732) 11.820 6.049 ( -6.674 -6.037 -3.794) 9.767 6.232 ( -15.779 2.623 3.413) 16.356 6.575 ( -5.430 0.523 -10.498) 11.831 6.961 ( -3.583 3.853 8.513) 10.008 7.176 ( 2.947 -4.017 0.687) 5.029 7.412 ( 2.462 1.498 -12.871) 13.189 8.804 ( -8.689 17.597 -9.398) 21.760 9.146 ( -1.123 3.051 4.203) 5.314 9.364 ( -3.798 -10.949 -5.634) 12.886 9.578 ( -11.402 -18.527 -2.559) 21.905 10.100 ( -7.963 6.539 16.429) 19.393 10.894 ( 16.334 12.277 -6.157) 21.341 11.056 ( 22.814 0.577 -23.226) 32.562 11.300 ( 6.091 2.272 7.228) 9.722 12.417 ( 4.462 -0.551 0.623) 4.539 12.897 ( -2.581 -3.460 -4.658) 6.351 13.103 ( 8.110 -6.128 0.033) 10.165 13.591 ( 6.045 -6.883 -7.107) 11.595 13.876 ( -6.740 0.664 17.018) 18.316 17.466 ( -8.554 1.375 11.833) 14.666 18.781 ( -9.393 2.109 -12.654) 15.900 19.242 ( 11.004 3.497 15.323) 19.186 19.476 ( -15.083 -2.966 2.907) 15.644 20.400 ( 4.883 -0.454 -11.469) 12.474 22.874 ( -14.956 -6.137 2.113) 16.304 23.618 ( 16.181 19.403 4.916) 25.739 24.225 ( 12.211 -13.771 7.287) 19.796 ======================= Grid point 765 (381/432) ======================= q-point: ( 0.36 0.09 -0.54) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( 1.240 -3.139 -7.679) 8.388 3.234 ( 9.377 -14.426 -4.379) 17.754 3.564 ( -11.303 -0.172 3.181) 11.743 4.154 ( -2.796 -8.642 -4.329) 10.062 4.575 ( 9.086 2.858 4.165) 10.396 4.701 ( -9.246 10.860 11.324) 18.212 5.107 ( -0.454 2.722 11.480) 11.807 5.354 ( -10.547 -3.200 2.369) 11.273 5.695 ( -4.076 2.888 2.750) 5.702 6.007 ( -9.610 -7.527 -1.824) 12.342 6.144 ( 0.228 4.008 8.289) 9.210 6.399 ( 1.850 1.272 -15.491) 15.653 6.896 ( -11.490 2.484 4.270) 12.507 7.218 ( 0.126 -2.614 -1.028) 2.812 7.390 ( 8.359 -0.561 -6.330) 10.501 8.454 ( -11.401 8.232 -8.482) 16.423 9.181 ( -1.239 5.194 9.485) 10.885 9.340 ( -4.658 -19.324 -8.760) 21.722 9.596 ( -4.165 -7.869 3.165) 9.449 10.107 ( -7.549 8.662 13.961) 18.082 10.872 ( 14.095 13.980 -10.878) 22.637 11.084 ( 14.877 4.974 -13.783) 20.881 11.383 ( 5.906 3.539 -0.208) 6.888 12.504 ( 3.422 -3.268 2.249) 5.239 12.853 ( -2.426 -5.765 -2.710) 6.817 13.199 ( 2.827 -1.284 -1.792) 3.585 13.651 ( 4.620 -7.110 -5.256) 9.976 14.009 ( -1.462 -1.392 13.520) 13.670 17.526 ( -7.088 -0.642 17.370) 18.772 18.484 ( -5.593 1.123 -19.631) 20.443 19.401 ( -2.887 -1.719 2.289) 4.065 19.446 ( 5.986 7.644 7.889) 12.510 20.382 ( 2.640 -4.019 -4.586) 6.645 22.765 ( -14.244 -8.587 1.976) 16.749 23.655 ( 10.956 18.692 0.179) 21.667 24.544 ( 6.624 -10.597 7.094) 14.370 ======================= Grid point 766 (382/432) ======================= q-point: (-0.55 0.09 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( 5.186 4.950 4.020) 8.219 3.421 ( -11.237 3.598 13.749) 18.118 3.515 ( 14.155 -11.867 -9.295) 20.678 4.143 ( -4.566 -9.576 -1.376) 10.698 4.552 ( -13.250 -0.205 2.926) 13.571 4.708 ( 7.072 6.155 0.982) 9.427 5.005 ( -24.938 -8.205 -1.154) 26.278 5.368 ( 7.687 5.691 7.468) 12.134 5.778 ( 6.236 3.455 6.248) 9.479 5.938 ( -9.559 -6.197 4.515) 12.255 6.245 ( 4.091 2.605 0.494) 4.875 6.279 ( 8.934 3.330 -6.810) 11.717 6.807 ( -7.756 -2.442 4.359) 9.226 7.197 ( -4.554 -2.747 -1.948) 5.664 7.415 ( 4.363 -0.196 -5.406) 6.949 8.209 ( -11.162 -3.133 -3.947) 12.247 9.245 ( 2.946 5.950 8.671) 10.921 9.378 ( -7.431 -19.998 -0.649) 21.344 9.647 ( 2.123 0.140 1.475) 2.589 10.089 ( -6.966 9.485 13.179) 17.668 10.803 ( 7.375 11.669 -6.336) 15.189 11.023 ( 8.875 5.222 -15.200) 18.360 11.423 ( 8.753 6.280 -2.044) 10.965 12.575 ( -0.760 -2.153 1.495) 2.729 12.870 ( -0.333 -3.991 1.040) 4.138 13.185 ( -2.234 0.439 -0.085) 2.278 13.694 ( 2.655 -5.558 -5.183) 8.050 14.127 ( 0.216 -0.053 6.068) 6.072 17.678 ( -3.955 -3.370 15.954) 16.779 18.209 ( -0.822 -2.297 -17.999) 18.163 19.463 ( 8.944 0.489 0.460) 8.969 19.472 ( 0.743 7.973 1.021) 8.072 20.398 ( -1.077 -4.366 -1.777) 4.835 22.708 ( -12.141 -11.730 3.369) 17.215 23.616 ( 7.688 16.194 -2.312) 18.075 24.699 ( -1.646 -5.416 1.900) 5.971 ======================= Grid point 767 (383/432) ======================= q-point: (-0.45 0.09 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( 6.115 11.906 14.427) 19.679 3.327 ( -12.440 11.211 14.283) 22.010 3.743 ( 16.328 -6.906 -5.756) 18.640 4.168 ( -5.643 -10.720 1.320) 12.187 4.385 ( -13.319 -0.226 -2.229) 13.506 4.690 ( -5.955 -4.298 -10.457) 12.778 4.786 ( -7.660 -5.637 -0.730) 9.538 5.534 ( 6.043 -0.961 8.377) 10.374 5.756 ( -4.984 0.375 -3.470) 6.084 6.069 ( 8.988 -3.041 6.507) 11.505 6.291 ( 8.497 1.447 2.494) 8.973 6.357 ( 7.203 8.979 4.534) 12.372 6.857 ( -1.813 -8.159 7.267) 11.075 7.102 ( -9.534 -4.236 -2.930) 10.836 7.386 ( 2.213 1.287 -6.047) 6.567 8.141 ( -8.628 -13.573 2.021) 16.210 9.354 ( 6.912 7.818 8.376) 13.381 9.440 ( -5.607 -10.929 2.762) 12.590 9.668 ( -0.860 -0.488 1.147) 1.515 10.088 ( -4.737 9.181 14.088) 17.470 10.734 ( 0.025 8.391 0.829) 8.432 10.912 ( 8.597 1.935 -18.006) 20.046 11.443 ( 7.621 8.495 -3.531) 11.946 12.529 ( -6.655 1.533 -1.421) 6.976 12.921 ( 1.125 -0.415 3.459) 3.660 13.160 ( -3.629 0.515 3.093) 4.796 13.691 ( 0.606 -2.538 -4.701) 5.376 14.139 ( -0.632 2.293 -1.727) 2.939 17.710 ( 0.718 -1.003 -9.992) 10.068 18.237 ( 3.688 -12.165 9.035) 15.596 19.376 ( -3.884 5.721 -3.599) 7.796 19.622 ( 17.574 2.573 -1.204) 17.802 20.371 ( -3.597 -1.724 -1.941) 4.436 22.722 ( -10.787 -15.482 4.829) 19.477 23.539 ( 5.697 13.676 -4.293) 15.425 24.631 ( -9.739 0.386 -4.266) 10.639 ======================= Grid point 768 (384/432) ======================= q-point: (-0.36 0.09 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.826 ( 2.773 13.309 17.909) 22.484 3.287 ( -5.523 12.913 17.446) 22.397 3.905 ( 11.704 -1.144 -3.187) 12.184 4.120 ( -14.394 -7.630 -4.596) 16.927 4.227 ( -5.089 2.673 1.088) 5.850 4.512 ( -5.010 -12.678 -15.359) 20.536 4.790 ( 0.237 -4.983 -2.511) 5.585 5.567 ( -5.690 -1.938 -9.285) 11.060 5.796 ( 4.632 -1.265 13.543) 14.369 6.265 ( 12.695 0.730 -0.749) 12.738 6.439 ( 5.500 4.043 8.292) 10.740 6.471 ( 10.248 0.657 6.886) 12.364 6.981 ( -0.858 -3.253 -6.822) 7.606 7.051 ( -4.804 -13.450 13.909) 19.936 7.317 ( 0.973 3.940 -5.478) 6.817 8.231 ( -7.966 -21.374 5.443) 23.451 9.424 ( 7.478 12.715 -3.686) 15.204 9.481 ( -0.783 5.564 13.184) 14.331 9.722 ( -5.439 -15.570 5.946) 17.532 10.131 ( -3.305 9.541 15.362) 18.383 10.685 ( -4.951 7.842 7.548) 11.958 10.808 ( 9.971 0.307 -19.455) 21.863 11.368 ( 1.709 8.563 -8.697) 12.324 12.370 ( -10.598 1.751 -3.190) 11.206 12.978 ( 2.578 2.309 3.254) 4.751 13.145 ( -3.172 3.272 4.923) 6.708 13.652 ( -1.709 1.775 -1.424) 2.846 14.049 ( -0.426 1.485 -9.002) 9.133 17.618 ( 6.043 -2.392 -13.055) 14.583 18.558 ( 4.904 -15.948 11.779) 20.424 19.209 ( -5.152 4.496 -6.912) 9.723 19.813 ( 15.265 2.343 -2.460) 15.639 20.334 ( 2.748 1.643 0.973) 3.346 22.772 ( -13.447 -19.023 4.450) 23.717 23.444 ( 5.999 12.159 -6.285) 14.945 24.365 ( -15.455 5.738 -7.782) 18.230 ======================= Grid point 769 (385/432) ======================= q-point: (-0.27 0.09 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.949 ( 0.785 8.160 16.235) 18.187 3.344 ( -3.521 11.841 18.757) 22.459 3.923 ( -9.183 -4.357 -6.929) 12.301 4.013 ( 3.583 -0.068 2.032) 4.120 4.148 ( 2.676 5.850 -6.204) 8.937 4.447 ( -0.573 -14.716 -10.280) 17.960 4.785 ( -0.040 -4.872 -6.597) 8.202 5.353 ( -9.423 3.087 -9.095) 13.455 6.029 ( 4.252 -0.180 14.070) 14.699 6.358 ( 7.642 6.710 1.131) 10.232 6.603 ( 2.759 -5.207 6.812) 9.007 6.698 ( 14.134 -3.478 2.216) 14.723 6.936 ( 0.759 0.006 -2.178) 2.306 7.224 ( 0.995 4.030 -4.366) 6.024 7.328 ( 2.268 -14.992 13.787) 20.493 8.385 ( -8.942 -27.015 4.405) 28.795 9.352 ( 1.198 12.442 2.712) 12.791 9.575 ( 2.688 7.278 9.470) 12.242 9.890 ( -0.063 -14.878 4.487) 15.539 10.173 ( -4.388 12.070 15.699) 20.283 10.602 ( -13.252 9.671 8.752) 18.594 10.757 ( 14.627 1.645 -13.272) 19.819 11.162 ( -2.257 5.257 -14.014) 15.137 12.158 ( -14.420 -1.566 -6.366) 15.840 13.016 ( 5.781 6.532 0.574) 8.742 13.157 ( -0.848 4.895 8.049) 9.458 13.574 ( -6.167 7.042 2.879) 9.793 13.934 ( 2.412 -4.353 -14.124) 14.975 17.625 ( 9.538 -2.311 -7.233) 12.192 18.738 ( -8.686 -9.767 -5.542) 14.197 19.127 ( 9.684 -0.992 0.161) 9.736 19.838 ( -3.855 -0.422 -3.112) 4.972 20.542 ( 23.505 3.423 8.543) 25.242 22.732 ( -22.305 -18.401 -1.312) 28.946 23.374 ( 9.781 10.042 -6.263) 15.354 24.003 ( -16.822 8.578 -6.316) 19.911 ======================= Grid point 770 (386/432) ======================= q-point: (-0.18 0.09 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.093 ( 1.372 2.339 13.929) 14.190 3.396 ( -4.847 6.493 12.667) 15.037 3.796 ( -3.922 -2.337 -3.843) 5.968 4.039 ( -1.975 2.167 -2.645) 3.949 4.111 ( 7.619 -1.741 -3.967) 8.764 4.492 ( 5.436 -4.644 -2.675) 7.634 4.712 ( -0.750 -2.898 -10.353) 10.777 5.077 ( -11.422 6.330 -8.417) 15.536 6.224 ( 3.078 0.951 12.727) 13.128 6.404 ( 3.752 5.426 3.511) 7.473 6.708 ( -2.039 -4.434 3.336) 5.912 6.853 ( 4.407 -2.458 -5.396) 7.387 6.973 ( 6.653 0.629 2.539) 7.149 7.159 ( 2.308 4.962 -3.538) 6.516 7.720 ( 8.555 -18.790 17.565) 27.107 8.526 ( -10.137 -30.330 -1.124) 31.999 9.348 ( 1.109 7.251 9.092) 11.682 9.631 ( 2.675 8.212 4.547) 9.761 9.979 ( -4.126 0.947 0.612) 4.277 10.151 ( -0.266 13.687 4.041) 14.273 10.426 ( -17.158 4.821 11.744) 21.344 10.873 ( 14.436 -1.257 -2.057) 14.635 10.978 ( 4.537 2.670 -10.345) 11.607 11.868 ( -17.866 -3.960 -11.450) 21.587 13.046 ( 9.515 10.083 -0.300) 13.867 13.183 ( -2.382 9.162 6.532) 11.501 13.483 ( -6.561 2.041 6.448) 9.423 13.866 ( 3.830 -7.303 -14.143) 16.371 17.728 ( 11.615 -0.453 -1.018) 11.669 18.466 ( -14.360 0.167 -15.054) 20.805 19.380 ( 15.402 -7.371 2.073) 17.200 19.727 ( -11.184 -2.702 0.124) 11.506 21.007 ( 30.826 2.187 13.394) 33.681 22.437 ( -29.780 -10.405 -11.233) 33.486 23.398 ( 11.672 5.245 -3.503) 13.267 23.684 ( -14.450 7.094 -1.869) 16.206 ======================= Grid point 771 (387/432) ======================= q-point: (-0.09 0.09 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.254 ( 2.687 0.052 11.344) 11.658 3.389 ( -3.001 1.411 0.582) 3.367 3.792 ( 1.673 -1.127 2.918) 3.548 3.931 ( -1.365 -0.720 -10.217) 10.332 4.233 ( 2.752 -3.062 9.451) 10.309 4.507 ( 1.046 -2.328 -13.059) 13.306 4.664 ( 5.757 4.499 2.755) 7.809 4.778 ( -10.301 7.104 -7.658) 14.670 6.375 ( 1.429 -0.392 7.683) 7.825 6.442 ( 2.490 2.139 0.975) 3.424 6.711 ( -6.922 -0.430 4.631) 8.340 6.825 ( 2.552 -0.605 -5.078) 5.715 7.013 ( -9.549 1.927 4.771) 10.847 7.139 ( 8.874 2.064 -6.159) 10.997 8.238 ( 12.254 -19.051 20.061) 30.258 8.558 ( -13.004 -26.572 -10.825) 31.501 9.452 ( 3.256 5.181 9.960) 11.690 9.582 ( -0.710 7.613 -3.787) 8.532 9.794 ( -15.123 16.567 11.300) 25.117 10.074 ( 10.096 5.447 -14.216) 18.267 10.420 ( -12.415 0.289 22.353) 25.571 10.845 ( 10.296 -0.209 -19.295) 21.871 11.222 ( 16.780 -0.802 14.357) 22.098 11.529 ( -15.147 -5.072 -15.137) 22.007 13.065 ( -6.144 10.828 0.772) 12.474 13.082 ( 9.411 9.609 -1.424) 13.525 13.549 ( -3.443 -3.972 11.976) 13.078 13.811 ( 3.196 -5.307 -13.367) 14.733 17.906 ( 12.859 0.947 4.810) 13.762 18.098 ( -13.959 1.876 -13.759) 19.689 19.594 ( -10.707 -5.026 3.636) 12.375 19.644 ( 9.381 -3.736 -1.235) 10.173 21.579 ( 30.737 -0.228 16.807) 35.033 21.929 ( -29.784 -3.356 -17.262) 34.588 23.462 ( -10.786 3.855 0.871) 11.488 23.491 ( 10.573 2.766 -2.136) 11.136 ======================= Grid point 774 (388/432) ======================= q-point: ( 0.18 0.18 -0.54) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( -3.354 -0.000 -13.104) 13.527 3.056 ( 1.273 0.000 -12.368) 12.434 3.680 ( -10.173 -0.000 -1.794) 10.330 4.085 ( 1.549 0.000 -2.317) 2.787 4.392 ( 13.603 0.000 7.626) 15.595 4.954 ( -6.083 -0.000 20.170) 21.067 5.070 ( 6.220 0.000 12.363) 13.840 5.085 ( -9.792 -0.000 6.632) 11.826 5.937 ( -1.970 -0.000 -3.945) 4.409 5.989 ( -12.674 -0.000 -8.137) 15.061 6.258 ( -16.043 -0.000 6.673) 17.376 6.579 ( -6.558 -0.000 -9.518) 11.559 7.005 ( -4.910 -0.000 9.358) 10.568 7.130 ( 5.423 0.000 -0.107) 5.424 7.421 ( 0.287 0.000 -13.700) 13.703 9.034 ( -14.085 -0.000 -11.943) 18.467 9.148 ( -3.896 -0.000 -9.686) 10.440 9.314 ( 3.360 0.000 -6.460) 7.281 9.320 ( -9.369 -0.000 12.719) 15.797 10.154 ( -10.871 -0.000 19.294) 22.146 11.011 ( 22.911 0.000 -6.379) 23.782 11.063 ( 24.265 0.000 -28.065) 37.101 11.319 ( 5.197 0.000 8.518) 9.979 12.418 ( 2.571 0.000 1.156) 2.819 12.860 ( -4.331 -0.000 -8.324) 9.383 13.042 ( 11.207 0.000 4.188) 11.963 13.523 ( 6.217 0.000 -8.367) 10.424 13.890 ( -8.538 -0.000 18.378) 20.264 17.478 ( -8.954 -0.000 11.505) 14.579 18.796 ( -11.144 -0.000 -12.519) 16.760 19.280 ( 11.547 0.000 18.335) 21.667 19.448 ( -14.465 -0.000 3.308) 14.839 20.394 ( 4.815 0.000 -14.529) 15.306 22.820 ( -15.587 -0.000 2.889) 15.853 23.895 ( 18.759 0.000 14.666) 23.812 23.999 ( 9.662 0.000 -2.070) 9.881 ======================= Grid point 775 (389/432) ======================= q-point: ( 0.27 0.18 -0.54) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( 7.900 -0.704 -5.368) 9.577 3.034 ( 9.635 -7.435 -8.192) 14.671 3.554 ( -10.718 -0.584 3.573) 11.313 4.053 ( -3.718 -3.184 -2.608) 5.547 4.599 ( 5.142 0.662 5.078) 7.257 4.907 ( -13.366 12.174 11.542) 21.449 5.075 ( -18.449 -6.871 11.810) 22.958 5.320 ( 7.269 -0.513 11.007) 13.201 5.749 ( -5.897 2.462 -3.257) 7.173 5.891 ( -3.264 -4.536 -3.613) 6.655 6.211 ( -5.202 2.585 12.168) 13.483 6.413 ( 2.150 0.366 -15.334) 15.488 6.927 ( -15.250 1.056 2.940) 15.566 7.179 ( 1.952 -1.510 -1.660) 2.974 7.377 ( 7.034 -0.645 -5.179) 8.759 8.600 ( -17.642 8.498 -14.538) 24.389 9.030 ( -5.588 -14.572 -9.444) 18.241 9.309 ( -0.796 8.759 11.163) 14.212 9.466 ( 3.781 -7.974 4.964) 10.125 10.197 ( -13.092 2.543 17.756) 22.207 11.012 ( 26.134 2.670 -32.988) 42.170 11.239 ( 16.688 10.263 1.438) 19.644 11.413 ( 4.634 -0.625 -0.612) 4.716 12.473 ( 1.985 -0.358 3.279) 3.850 12.755 ( -3.298 -4.694 -3.655) 6.802 13.176 ( 5.000 -0.973 -0.820) 5.159 13.530 ( 5.933 -4.819 -7.992) 11.059 14.018 ( -4.462 0.873 18.755) 19.298 17.519 ( -9.305 -0.183 16.751) 19.163 18.489 ( -7.975 -0.071 -19.423) 20.996 19.379 ( -1.616 -0.760 2.540) 3.105 19.569 ( 6.972 5.064 13.126) 15.702 20.312 ( 2.405 -3.156 -10.056) 10.810 22.660 ( -15.991 -3.423 3.098) 16.644 23.977 ( 9.129 18.059 -0.148) 20.236 24.326 ( 8.579 -14.556 8.639) 18.977 ======================= Grid point 776 (390/432) ======================= q-point: ( 0.36 0.18 -0.54) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( 14.323 5.387 5.018) 16.104 3.238 ( 18.940 -14.983 -6.869) 25.108 3.497 ( -10.680 1.856 11.439) 15.759 4.003 ( -5.879 -6.292 -1.252) 8.702 4.559 ( -16.198 1.258 4.195) 16.779 4.804 ( -12.363 0.897 3.702) 12.936 4.905 ( -17.310 -0.777 1.574) 17.398 5.475 ( 4.341 5.736 8.469) 11.112 5.815 ( 7.775 0.157 10.294) 12.902 5.853 ( -5.613 -2.604 0.189) 6.191 6.271 ( 6.636 0.199 -15.173) 16.562 6.332 ( 4.125 3.181 10.721) 11.920 6.763 ( -11.210 -2.353 0.681) 11.475 7.160 ( -3.239 -1.527 -2.959) 4.645 7.408 ( 1.381 -0.514 -1.295) 1.962 8.177 ( -17.268 -0.359 -11.882) 20.964 9.041 ( -0.594 -16.336 -4.322) 16.909 9.383 ( -1.500 7.339 15.639) 17.340 9.632 ( 7.486 -1.809 3.267) 8.366 10.190 ( -14.150 3.325 16.719) 22.154 10.939 ( 23.677 3.504 -31.550) 39.601 11.208 ( 0.149 14.601 -3.483) 15.012 11.536 ( 15.982 6.145 -0.714) 17.138 12.534 ( -0.697 -1.994 3.134) 3.779 12.777 ( -0.787 -6.717 3.076) 7.430 13.185 ( -1.260 -0.320 -1.430) 1.932 13.563 ( 4.941 -7.644 -8.214) 12.260 14.156 ( -2.509 2.111 13.915) 14.296 17.632 ( -7.494 -1.985 20.111) 21.554 18.166 ( -4.133 -2.300 -23.285) 23.761 19.466 ( 10.741 -0.017 0.706) 10.765 19.650 ( 1.302 11.640 4.269) 12.466 20.285 ( -0.785 -8.309 -5.219) 9.843 22.547 ( -14.584 -6.866 4.586) 16.759 23.911 ( 6.443 17.619 -2.695) 18.952 24.562 ( -0.240 -10.428 4.304) 11.284 ======================= Grid point 777 (391/432) ======================= q-point: ( 0.45 0.18 -0.54) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( 12.949 11.177 13.337) 21.691 3.455 ( -2.932 0.644 5.276) 6.070 3.585 ( 13.883 -7.190 3.924) 16.120 3.986 ( -5.791 -9.321 -0.019) 10.974 4.366 ( -18.029 -1.671 2.479) 18.275 4.558 ( -23.377 -9.255 -3.450) 25.378 4.810 ( 0.229 3.977 -2.257) 4.578 5.587 ( 4.503 6.675 9.017) 12.089 5.730 ( -10.006 -1.732 -3.823) 10.851 6.049 ( 11.744 -0.964 4.987) 12.795 6.305 ( 10.660 -0.453 1.292) 10.748 6.477 ( 5.671 5.336 7.546) 10.843 6.725 ( -5.480 -6.583 5.210) 10.025 7.045 ( -9.324 -1.872 -4.405) 10.481 7.398 ( 0.018 0.042 -1.740) 1.741 7.930 ( -13.206 -11.241 -4.839) 18.005 9.172 ( 2.784 -15.079 1.293) 15.388 9.493 ( -1.990 6.843 17.354) 18.761 9.741 ( 7.785 5.139 -0.225) 9.331 10.175 ( -13.637 2.264 17.212) 22.076 10.853 ( 19.377 3.436 -26.800) 33.249 11.016 ( -1.573 11.220 -7.504) 13.590 11.642 ( 14.386 14.046 -1.600) 20.170 12.531 ( -6.087 -1.282 0.330) 6.230 12.885 ( 0.648 -4.018 6.725) 7.861 13.152 ( -3.083 -1.189 0.996) 3.451 13.587 ( 3.706 -7.521 -8.530) 11.961 14.211 ( -4.271 4.654 7.774) 10.016 17.708 ( -1.871 0.978 -5.336) 5.738 18.028 ( -1.207 -12.073 3.936) 12.756 19.525 ( -2.752 10.558 -3.359) 11.416 19.663 ( 17.002 3.009 0.060) 17.266 20.288 ( -1.383 -7.867 -3.930) 8.902 22.501 ( -13.164 -10.307 5.989) 17.760 23.799 ( 4.597 16.245 -4.329) 17.429 24.585 ( -8.392 -5.479 -1.838) 10.189 ======================= Grid point 778 (392/432) ======================= q-point: (-0.45 0.18 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.057 ( 2.610 13.674 16.007) 21.213 3.468 ( -4.391 8.336 15.125) 17.819 3.844 ( 14.139 -6.149 -2.520) 15.623 3.977 ( -7.526 -8.070 -2.467) 11.307 4.200 ( -11.317 -4.451 1.106) 12.211 4.351 ( -12.264 -8.190 -5.766) 15.834 4.769 ( 3.082 1.211 -5.339) 6.282 5.502 ( -8.170 -3.212 -7.585) 11.602 5.797 ( 4.585 0.704 12.823) 13.637 6.245 ( 12.710 -2.390 -0.069) 12.933 6.482 ( 3.475 2.974 10.668) 11.607 6.566 ( 8.817 5.451 1.466) 10.470 6.826 ( -5.595 -10.473 11.375) 16.444 6.920 ( -3.759 -4.247 -3.604) 6.720 7.370 ( 1.079 2.227 -3.165) 4.017 7.889 ( -11.415 -19.329 1.613) 22.506 9.383 ( 5.176 -11.634 6.517) 14.304 9.601 ( -4.588 4.953 16.548) 17.873 9.730 ( 5.980 13.117 -2.515) 14.634 10.205 ( -11.834 0.721 18.756) 22.189 10.788 ( 17.861 1.899 -22.243) 28.590 10.838 ( -1.327 6.001 -7.295) 9.538 11.613 ( 7.958 19.296 -5.523) 21.591 12.396 ( -12.046 0.931 -3.131) 12.481 12.995 ( 2.156 -0.625 6.026) 6.430 13.160 ( -1.820 -1.530 3.648) 4.355 13.592 ( 2.971 -6.237 -7.927) 10.515 14.142 ( -7.268 7.456 2.273) 10.658 17.583 ( 5.452 -1.708 -14.609) 15.687 18.291 ( 0.063 -15.119 16.283) 22.220 19.325 ( -5.139 9.021 -6.420) 12.207 19.835 ( 9.145 0.043 -2.101) 9.383 20.330 ( 10.901 -2.046 -2.711) 11.418 22.497 ( -14.331 -13.449 5.915) 20.525 23.670 ( 4.092 14.192 -5.451) 15.744 24.409 ( -14.049 -0.192 -6.603) 15.525 ======================= Grid point 779 (393/432) ======================= q-point: (-0.36 0.18 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( -4.619 9.501 14.050) 17.578 3.533 ( -5.470 10.398 17.681) 21.228 3.837 ( -10.541 -5.286 -4.821) 12.740 4.003 ( 8.741 -1.196 -1.805) 9.005 4.191 ( -4.095 -9.048 -12.286) 15.798 4.258 ( 4.759 -0.452 5.551) 7.325 4.730 ( 2.613 -1.201 -8.628) 9.095 5.338 ( -10.217 -4.333 -7.181) 13.218 6.028 ( 7.357 -0.146 13.144) 15.064 6.413 ( 10.631 -2.266 -0.886) 10.906 6.557 ( -3.784 1.713 8.698) 9.639 6.686 ( 11.473 1.400 1.404) 11.643 6.931 ( 2.433 -0.914 1.177) 2.853 7.025 ( -0.935 -16.388 11.062) 19.794 7.316 ( 0.477 4.036 -2.855) 4.967 7.955 ( -11.241 -24.208 2.592) 26.816 9.556 ( -2.366 9.986 5.730) 11.754 9.645 ( 0.760 -7.659 5.868) 9.679 9.759 ( 6.866 8.979 11.218) 15.925 10.265 ( -12.878 1.107 20.434) 24.179 10.705 ( 2.634 1.903 -11.945) 12.379 10.789 ( 15.114 1.781 -13.175) 20.129 11.398 ( 0.127 22.247 -9.514) 24.196 12.151 ( -15.907 0.525 -6.563) 17.216 13.095 ( 4.388 1.908 5.350) 7.178 13.206 ( 1.359 1.199 4.508) 4.859 13.589 ( 1.397 -5.041 -6.055) 8.002 13.964 ( -8.929 7.831 -2.911) 12.228 17.583 ( 10.396 -2.629 -6.891) 12.746 18.549 ( -3.496 -12.048 7.248) 14.488 19.149 ( 0.717 3.494 -5.497) 6.553 19.808 ( -7.439 -3.328 -4.370) 9.248 20.596 ( 28.795 2.874 3.151) 29.109 22.453 ( -19.645 -14.578 2.568) 24.597 23.558 ( 5.734 11.640 -5.680) 14.165 24.109 ( -16.012 4.089 -7.388) 18.102 ======================= Grid point 780 (394/432) ======================= q-point: (-0.27 0.18 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( -2.637 3.928 12.854) 13.697 3.507 ( -8.503 6.253 6.893) 12.606 3.756 ( -3.084 -1.995 0.828) 3.765 4.037 ( 2.670 -3.855 -15.336) 16.037 4.097 ( -3.048 1.816 8.956) 9.633 4.458 ( 14.470 0.130 2.255) 14.645 4.658 ( 1.818 -3.250 -11.138) 11.744 5.128 ( -12.160 -0.254 -7.649) 14.368 6.251 ( 4.265 1.674 12.860) 13.652 6.510 ( 6.931 5.994 -1.180) 9.239 6.610 ( -2.994 -6.587 6.336) 9.617 6.807 ( 4.981 -3.015 -3.677) 6.887 7.003 ( 5.417 2.618 4.255) 7.369 7.231 ( 1.523 2.728 -2.116) 3.773 7.374 ( 4.429 -20.024 13.350) 24.471 8.037 ( -11.593 -27.690 -1.019) 30.036 9.491 ( -2.379 9.146 7.360) 11.978 9.739 ( 0.151 2.264 3.731) 4.366 9.942 ( 6.001 1.802 9.639) 11.497 10.316 ( -12.223 3.164 19.455) 23.193 10.560 ( -5.692 7.623 -5.356) 10.917 10.843 ( 16.881 -1.922 -15.437) 22.956 11.132 ( 5.511 17.540 -6.187) 19.399 11.829 ( -18.556 -0.407 -10.337) 21.245 13.203 ( 5.607 3.786 6.198) 9.176 13.272 ( 4.577 5.478 4.486) 8.431 13.553 ( -5.189 1.784 -0.425) 5.503 13.757 ( -4.146 -1.502 -10.521) 11.407 17.719 ( 12.752 -0.664 1.075) 12.815 18.465 ( -12.569 -0.333 -9.093) 15.517 19.248 ( 11.686 -7.867 1.709) 14.191 19.664 ( -11.858 -4.732 -3.014) 13.118 21.048 ( 32.812 2.555 8.766) 34.058 22.251 ( -26.737 -11.317 -5.104) 29.479 23.512 ( 8.656 8.015 -3.993) 12.454 23.796 ( -14.620 5.970 -4.156) 16.330 ======================= Grid point 781 (395/432) ======================= q-point: (-0.18 0.18 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.260 ( 1.182 0.721 11.364) 11.448 3.420 ( -2.624 2.127 -2.230) 4.048 3.775 ( -0.599 -0.682 4.090) 4.189 3.920 ( -0.509 -0.624 -9.626) 9.660 4.189 ( -1.495 -1.579 11.613) 11.815 4.498 ( 5.523 0.991 -16.049) 17.002 4.723 ( 9.228 1.639 6.045) 11.153 4.865 ( -11.170 2.897 -7.860) 13.962 6.391 ( -0.478 2.254 9.070) 9.358 6.501 ( 2.597 4.752 -1.566) 5.637 6.681 ( -4.319 -3.640 4.737) 7.372 6.803 ( 2.856 -2.240 -5.923) 6.947 7.058 ( -6.594 3.441 6.484) 9.868 7.186 ( 5.306 3.432 -5.312) 8.255 7.852 ( 11.201 -25.509 15.258) 31.765 8.080 ( -11.485 -29.209 -7.114) 32.182 9.530 ( -0.276 4.609 11.219) 12.132 9.691 ( -2.354 4.664 -4.158) 6.676 10.040 ( -4.288 11.293 9.669) 15.473 10.239 ( 1.023 12.933 -6.747) 14.623 10.430 ( -12.738 1.270 18.741) 22.695 10.841 ( 13.590 -0.309 -19.325) 23.627 11.240 ( 19.479 4.069 7.385) 21.226 11.460 ( -17.963 -1.770 -12.901) 22.186 13.267 ( -3.765 10.806 3.274) 11.902 13.293 ( 8.711 14.680 0.008) 17.070 13.465 ( -7.293 -4.741 8.145) 11.917 13.685 ( 3.758 -9.475 -12.397) 16.049 17.929 ( 12.963 1.788 6.797) 14.746 18.140 ( -13.361 3.024 -13.014) 18.895 19.476 ( -4.536 -8.809 4.374) 10.831 19.560 ( 4.197 -6.096 -3.559) 8.212 21.573 ( 26.107 -0.432 13.726) 29.499 21.854 ( -24.086 -5.343 -13.591) 28.168 23.547 ( -12.098 5.821 -0.588) 13.439 23.555 ( 10.345 4.816 -1.486) 11.507 ======================= Grid point 782 (396/432) ======================= q-point: (-0.09 0.18 -0.54) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.310 ( -2.232 1.543 -5.267) 5.925 3.443 ( 8.401 1.290 4.864) 9.792 3.799 ( -3.350 0.433 -3.540) 4.893 3.861 ( 1.032 -2.109 4.479) 5.057 4.308 ( -1.771 -2.860 -1.503) 3.685 4.384 ( 3.541 0.718 -2.644) 4.477 4.603 ( -10.030 1.629 -1.581) 10.284 4.926 ( 11.916 6.973 6.401) 15.218 6.383 ( -5.339 0.796 -0.667) 5.439 6.457 ( -2.338 1.500 -4.038) 4.901 6.692 ( -3.655 -0.836 6.600) 7.591 6.825 ( 4.113 -2.066 -4.093) 6.159 6.921 ( -16.638 4.937 6.473) 18.522 7.178 ( 3.237 2.543 -4.182) 5.869 8.036 ( -11.811 -24.101 -12.876) 29.768 8.390 ( 11.635 -26.584 12.302) 31.518 9.488 ( -7.682 5.575 -3.722) 10.195 9.655 ( 2.850 6.323 2.845) 7.496 9.845 ( -14.433 10.830 10.412) 20.833 10.200 ( 11.225 14.156 -4.969) 18.737 10.536 ( -5.345 -2.652 17.382) 18.377 10.781 ( 8.796 2.132 -14.885) 17.420 11.159 ( -4.455 -5.245 -15.903) 17.328 11.617 ( 20.382 -1.267 12.477) 23.931 13.061 ( -7.849 12.206 -1.601) 14.600 13.272 ( 6.435 12.538 -2.839) 14.376 13.585 ( -4.989 -7.868 11.974) 15.171 13.676 ( 5.689 -3.533 -10.229) 12.226 17.808 ( -13.276 1.878 -8.650) 15.956 18.193 ( 14.207 2.518 10.751) 17.993 19.387 ( -14.999 -6.459 1.465) 16.396 19.736 ( 8.879 -4.234 -0.380) 9.844 21.307 ( -29.124 -3.277 -15.412) 33.113 22.178 ( 31.870 -2.249 13.452) 34.666 23.356 ( -11.054 4.438 0.797) 11.938 23.660 ( 11.977 4.086 0.431) 12.662 ======================= Grid point 786 (397/432) ======================= q-point: ( 0.27 0.27 -0.54) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 19.045 0.000 5.775) 19.902 3.089 ( 17.824 0.000 -7.980) 19.528 3.512 ( -8.698 -0.000 12.486) 15.216 3.949 ( -6.344 -0.000 -1.129) 6.444 4.578 ( -15.727 -0.000 3.960) 16.218 4.774 ( -30.964 -0.000 4.260) 31.255 4.932 ( -5.518 -0.000 2.661) 6.126 5.524 ( 2.245 0.000 10.313) 10.554 5.807 ( 5.615 0.000 9.549) 11.078 5.841 ( 1.480 0.000 0.908) 1.736 6.269 ( 6.420 0.000 -19.140) 20.188 6.363 ( 1.186 0.000 15.354) 15.399 6.741 ( -11.741 -0.000 -1.596) 11.849 7.148 ( -2.066 -0.000 -3.150) 3.767 7.403 ( -0.084 -0.000 0.644) 0.650 8.181 ( -20.860 -0.000 -16.417) 26.545 8.891 ( 3.071 0.000 -2.848) 4.188 9.457 ( -6.721 -0.000 17.484) 18.732 9.607 ( 13.374 0.000 2.930) 13.691 10.216 ( -16.374 -0.000 17.677) 24.095 10.963 ( 25.564 0.000 -35.318) 43.599 11.355 ( -1.370 -0.000 -7.372) 7.498 11.592 ( 21.144 0.000 2.530) 21.295 12.521 ( -1.900 -0.000 3.984) 4.414 12.701 ( -0.294 -0.000 3.062) 3.076 13.181 ( -1.014 -0.000 -1.625) 1.915 13.494 ( 5.461 0.000 -7.567) 9.331 14.175 ( -3.159 -0.000 15.461) 15.781 17.615 ( -8.866 -0.000 21.490) 23.247 18.145 ( -5.129 -0.000 -25.003) 25.524 19.465 ( 11.385 0.000 0.860) 11.417 19.775 ( 1.318 0.000 8.300) 8.404 20.190 ( -0.713 -0.000 -9.465) 9.492 22.489 ( -14.886 -0.000 4.893) 15.669 24.107 ( 4.682 0.000 -5.234) 7.022 24.427 ( 1.051 0.000 7.732) 7.803 ======================= Grid point 787 (398/432) ======================= q-point: ( 0.36 0.27 -0.54) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.042 ( 17.329 7.684 11.690) 22.271 3.303 ( 20.169 -9.994 -6.982) 23.567 3.611 ( -3.396 3.042 19.448) 19.975 3.878 ( -4.483 -3.442 -0.845) 5.715 4.354 ( -21.358 0.668 2.598) 21.526 4.426 ( -27.295 -5.841 -0.482) 27.917 4.855 ( -5.779 1.326 -1.313) 6.073 5.643 ( -2.071 -0.434 10.098) 10.318 5.808 ( -1.956 10.451 -4.947) 11.727 5.986 ( 7.224 -7.255 2.251) 10.483 6.282 ( 11.755 -1.224 3.284) 12.266 6.548 ( 2.451 3.554 11.344) 12.138 6.644 ( -1.899 -3.618 0.361) 4.102 7.044 ( -7.878 0.991 -3.281) 8.591 7.388 ( -4.378 -0.808 2.296) 5.009 7.792 ( -15.037 -4.593 -11.587) 19.532 8.992 ( 8.026 -5.789 2.187) 10.135 9.572 ( -6.422 2.415 19.271) 20.455 9.802 ( 12.692 1.902 1.527) 12.925 10.192 ( -17.812 0.284 17.885) 25.243 10.878 ( 23.585 0.485 -34.448) 41.751 11.191 ( -2.107 6.949 -10.799) 13.013 11.842 ( 19.395 7.672 -0.508) 20.864 12.502 ( -6.777 -1.455 1.378) 7.067 12.806 ( 1.214 -3.905 9.150) 10.023 13.132 ( -4.026 -0.822 -0.639) 4.159 13.494 ( 4.998 -2.971 -6.713) 8.881 14.266 ( -5.179 1.764 10.661) 11.983 17.748 ( -4.069 4.042 3.172) 6.554 17.856 ( -2.929 -8.224 -4.567) 9.852 19.633 ( 10.958 1.799 -2.896) 11.476 19.774 ( -0.043 8.802 1.676) 8.961 20.136 ( 2.745 -8.543 -6.559) 11.115 22.387 ( -13.179 -3.381 6.286) 14.987 24.035 ( 2.105 10.068 -5.771) 11.794 24.474 ( -6.983 -6.145 1.197) 9.379 ======================= Grid point 788 (399/432) ======================= q-point: ( 0.45 0.27 -0.54) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.254 ( 1.626 9.251 13.388) 16.355 3.526 ( 9.339 -2.701 2.680) 10.084 3.767 ( -0.440 0.719 11.381) 11.412 3.892 ( 7.662 -2.582 -3.647) 8.870 4.130 ( -18.051 -3.355 -1.647) 18.434 4.210 ( -13.321 -8.390 4.056) 16.257 4.771 ( -2.145 -1.285 -3.323) 4.159 5.502 ( -11.845 2.431 -8.998) 15.072 5.826 ( 5.338 3.454 10.711) 12.456 6.165 ( 6.818 -7.659 1.427) 10.353 6.522 ( 8.269 -0.792 10.231) 13.178 6.582 ( 1.839 2.233 0.313) 2.910 6.769 ( 2.956 -2.033 8.731) 9.440 6.885 ( -7.904 3.093 0.048) 8.488 7.381 ( -0.941 -1.491 0.721) 1.905 7.613 ( -11.477 -12.418 -3.615) 17.291 9.220 ( 9.772 -6.966 7.278) 14.036 9.676 ( -8.048 3.615 18.741) 20.714 9.914 ( 9.520 8.025 -0.283) 12.454 10.187 ( -15.299 -2.331 18.425) 24.062 10.794 ( 22.371 -0.061 -31.386) 38.543 10.971 ( -2.355 8.223 -10.120) 13.250 11.931 ( 13.641 16.680 -4.682) 22.050 12.393 ( -11.509 -1.319 -2.275) 11.806 12.955 ( 1.351 -3.636 7.629) 8.559 13.104 ( -3.341 -4.189 1.318) 5.518 13.513 ( 4.683 -2.750 -5.494) 7.725 14.246 ( -8.957 4.524 6.314) 11.856 17.564 ( 5.052 -0.546 -17.561) 18.281 18.082 ( -2.650 -9.290 21.863) 23.903 19.490 ( -6.904 10.151 -7.166) 14.215 19.807 ( -0.215 -3.528 -2.411) 4.279 20.281 ( 22.155 -3.105 -4.033) 22.732 22.332 ( -13.675 -6.424 6.296) 16.368 23.892 ( 0.639 11.590 -5.788) 12.970 24.370 ( -12.266 -4.000 -4.572) 13.688 ======================= Grid point 789 (400/432) ======================= q-point: (-0.45 0.27 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.240 ( -10.675 6.549 11.251) 16.835 3.675 ( -2.662 6.133 15.491) 16.872 3.768 ( -9.154 -2.560 -3.252) 10.046 3.983 ( 7.697 -2.549 -0.831) 8.151 4.012 ( 3.661 -7.039 -9.095) 12.069 4.264 ( 1.368 -1.378 9.046) 9.252 4.730 ( 2.935 -0.319 -7.959) 8.489 5.257 ( -12.579 -3.329 -5.959) 14.312 6.018 ( 6.878 -0.862 10.695) 12.745 6.314 ( 2.522 -8.785 2.418) 9.454 6.602 ( 2.776 1.427 1.021) 3.284 6.693 ( 5.565 -1.084 1.760) 5.936 6.865 ( -3.053 -0.145 11.790) 12.179 6.915 ( 6.132 -1.078 4.575) 7.726 7.373 ( 0.503 2.588 -1.839) 3.214 7.592 ( -10.923 -18.974 1.293) 21.932 9.498 ( 7.747 -6.609 9.804) 14.136 9.700 ( -9.566 6.326 12.142) 16.702 9.953 ( 5.582 10.753 6.720) 13.854 10.249 ( -10.765 -2.678 17.117) 20.398 10.731 ( 15.549 1.690 -24.413) 28.993 10.812 ( 5.416 2.105 -10.182) 11.723 11.799 ( 4.101 23.335 -8.627) 25.214 12.169 ( -15.829 1.439 -5.488) 16.815 13.076 ( -0.474 -3.494 5.944) 6.911 13.158 ( 4.473 -7.422 0.222) 8.668 13.528 ( 4.292 -0.461 -4.781) 6.442 14.106 ( -12.672 7.596 2.777) 15.033 17.542 ( 11.164 -2.097 -6.876) 13.278 18.364 ( -1.786 -9.456 16.076) 18.736 19.234 ( -6.034 6.282 -8.416) 12.112 19.730 ( -9.245 -5.871 -5.504) 12.257 20.633 ( 33.692 1.520 -0.617) 33.732 22.258 ( -17.898 -8.703 4.256) 20.352 23.745 ( 1.249 10.327 -5.324) 11.685 24.142 ( -14.077 0.083 -6.964) 15.706 ======================= Grid point 790 (401/432) ======================= q-point: (-0.36 0.27 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.209 ( -6.871 3.037 11.406) 13.657 3.579 ( -9.737 1.849 -2.226) 10.158 3.749 ( -2.818 1.281 7.709) 8.307 3.981 ( 3.120 -1.623 -10.572) 11.142 4.113 ( 0.407 -0.564 8.265) 8.295 4.459 ( 12.601 -0.936 7.053) 14.471 4.644 ( 4.871 2.600 -13.724) 14.793 5.076 ( -12.463 -5.420 -5.681) 14.731 6.248 ( 5.981 -2.851 10.803) 12.674 6.449 ( 0.969 -9.820 3.900) 10.611 6.624 ( 2.086 4.143 0.080) 4.639 6.753 ( 3.570 -3.280 -4.423) 6.562 7.035 ( 0.936 -3.688 11.359) 11.979 7.071 ( 7.879 -5.291 8.373) 12.656 7.319 ( -1.214 3.616 -1.661) 4.160 7.630 ( -9.991 -20.524 -1.291) 22.863 9.625 ( -6.552 6.048 7.618) 11.728 9.714 ( 1.280 -2.211 6.438) 6.926 10.053 ( 3.660 8.552 13.787) 16.632 10.330 ( -9.348 -0.475 17.310) 19.679 10.626 ( 3.337 2.146 -11.208) 11.889 10.816 ( 17.276 -1.435 -17.949) 24.954 11.511 ( 1.492 24.932 -8.277) 26.312 11.854 ( -17.236 3.181 -8.161) 19.334 13.149 ( -3.835 -6.413 6.879) 10.157 13.332 ( 11.992 -6.863 -1.791) 13.933 13.520 ( 4.547 3.730 -4.058) 7.145 13.868 ( -14.723 9.728 -0.138) 17.647 17.707 ( 14.253 -0.753 3.263) 14.642 18.450 ( -9.100 -1.500 -0.916) 9.268 19.139 ( 3.839 -4.750 -0.598) 6.137 19.575 ( -10.607 -5.704 -6.158) 13.526 21.087 ( 35.371 1.988 3.685) 35.618 22.080 ( -24.553 -8.749 -0.987) 26.084 23.648 ( 4.076 7.873 -3.777) 9.636 23.876 ( -12.943 3.599 -5.111) 14.373 ======================= Grid point 791 (402/432) ======================= q-point: (-0.27 0.27 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.275 ( -0.529 0.968 11.043) 11.098 3.451 ( -1.365 1.338 -4.903) 5.262 3.777 ( -2.697 0.972 4.771) 5.566 3.911 ( 2.513 -0.406 -8.584) 8.953 4.191 ( -6.367 1.795 14.645) 16.070 4.525 ( 7.880 1.934 -17.266) 19.078 4.716 ( 7.753 -1.959 7.824) 11.187 4.878 ( -7.147 -0.877 -8.333) 11.013 6.423 ( -0.527 0.103 9.250) 9.265 6.568 ( 1.236 -5.642 -2.693) 6.372 6.591 ( -3.528 0.886 5.219) 6.362 6.751 ( 3.580 -3.510 -7.315) 8.868 7.126 ( -3.141 4.423 7.852) 9.544 7.249 ( 1.410 3.954 -3.900) 5.730 7.449 ( 11.033 -20.940 12.242) 26.647 7.635 ( -9.801 -22.812 -6.283) 25.611 9.605 ( -5.864 4.203 10.710) 12.914 9.744 ( 0.578 2.144 -2.461) 3.315 10.186 ( -1.014 6.558 15.221) 16.605 10.377 ( -8.526 2.841 8.796) 12.575 10.494 ( -5.464 5.513 -1.777) 7.963 10.837 ( 17.696 -0.124 -19.560) 26.378 11.384 ( 13.609 13.255 0.859) 19.017 11.498 ( -15.255 6.428 -9.086) 18.884 13.261 ( -3.451 -8.873 9.810) 13.671 13.454 ( 0.353 -7.324 -7.312) 10.355 13.542 ( 12.494 13.129 1.784) 18.211 13.584 ( -9.930 6.914 -4.054) 12.761 17.963 ( 13.913 2.089 9.163) 16.790 18.194 ( -13.250 3.237 -11.922) 18.116 19.315 ( -0.349 -9.993 5.895) 11.607 19.452 ( 0.720 -6.532 -6.779) 9.442 21.565 ( 19.455 -0.448 9.260) 21.551 21.761 ( -15.855 -5.683 -9.730) 19.451 23.634 ( -2.244 4.916 -0.228) 5.409 23.653 ( -1.224 6.151 -2.026) 6.591 ======================= Grid point 792 (403/432) ======================= q-point: (-0.18 0.27 -0.54) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.349 ( 0.718 2.800 -2.858) 4.065 3.459 ( 9.062 0.683 3.837) 9.865 3.794 ( -4.926 -1.325 6.790) 8.492 3.850 ( 1.997 1.646 -5.249) 5.853 4.255 ( -6.178 -2.479 7.295) 9.876 4.446 ( 9.904 4.775 -10.736) 15.367 4.598 ( -14.150 -1.820 -3.585) 14.710 4.995 ( 13.328 1.476 5.187) 14.378 6.413 ( -7.986 2.308 1.766) 8.498 6.475 ( -6.751 -0.649 -4.314) 8.038 6.677 ( -0.586 -0.951 6.405) 6.502 6.767 ( 4.632 -4.592 -5.920) 8.809 7.023 ( -13.379 7.195 3.932) 15.691 7.222 ( 2.602 2.546 -2.396) 4.359 7.619 ( -7.566 -23.959 -9.824) 26.977 7.942 ( 13.609 -26.085 8.682) 30.676 9.577 ( -7.112 4.643 1.177) 8.574 9.716 ( 0.843 3.152 3.926) 5.105 10.075 ( -13.973 14.416 -0.445) 20.081 10.352 ( 2.281 2.730 5.880) 6.872 10.491 ( -6.343 -3.105 9.789) 12.070 10.831 ( 14.059 3.420 -15.109) 20.919 11.168 ( -6.353 8.425 -9.457) 14.170 11.626 ( 20.583 2.805 8.685) 22.516 13.276 ( -10.887 12.644 -1.777) 16.779 13.408 ( 0.538 -0.793 -7.108) 7.173 13.422 ( -4.780 -10.882 10.591) 15.920 13.681 ( 14.998 7.621 -2.127) 16.957 17.844 ( -14.306 2.319 -10.368) 17.819 18.244 ( 14.023 3.378 10.891) 18.074 19.273 ( -12.573 -6.669 0.294) 14.236 19.636 ( 12.788 -7.665 -0.227) 14.911 21.246 ( -31.966 -3.817 -10.113) 33.744 22.128 ( 32.211 -3.639 6.321) 33.026 23.455 ( -10.330 7.183 1.542) 12.675 23.732 ( 10.746 4.167 2.097) 11.715 ======================= Grid point 793 (404/432) ======================= q-point: (-0.09 0.27 -0.54) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.233 ( -0.134 6.970 -10.889) 12.930 3.584 ( 2.904 5.846 -3.616) 7.462 3.789 ( 3.755 -0.243 5.529) 6.688 3.884 ( -5.291 -2.815 5.943) 8.440 4.226 ( 1.657 -2.671 -4.547) 5.528 4.378 ( 1.692 1.007 -5.707) 6.037 4.590 ( -0.516 -3.571 10.701) 11.293 5.193 ( 9.797 4.043 6.845) 12.616 6.240 ( -10.929 -0.400 -7.440) 13.227 6.350 ( -10.535 0.912 2.077) 10.777 6.697 ( -13.379 0.437 -1.308) 13.449 6.746 ( 4.667 -0.432 -1.521) 4.928 6.867 ( -7.237 1.351 2.645) 7.823 7.193 ( 0.611 4.063 -1.200) 4.280 7.596 ( -5.010 -19.224 -12.047) 23.233 8.396 ( 10.201 -26.837 3.736) 28.953 9.410 ( -7.045 8.514 -2.521) 11.335 9.712 ( -3.541 9.274 -2.755) 10.302 9.848 ( -9.205 -0.372 8.685) 12.661 10.322 ( -9.340 10.130 -0.856) 13.805 10.552 ( 2.134 -7.607 0.452) 7.914 10.862 ( 7.721 4.435 6.164) 10.830 11.031 ( 14.229 3.314 -16.561) 22.084 11.993 ( 19.002 -1.096 9.562) 21.300 13.039 ( -6.368 10.328 -2.036) 12.303 13.314 ( -0.111 3.872 -7.179) 8.157 13.566 ( -4.399 -8.476 8.812) 12.994 13.753 ( 10.179 9.245 -1.028) 13.789 17.580 ( -12.269 -0.442 -3.296) 12.711 18.532 ( 13.211 1.257 12.473) 18.212 19.163 ( -10.766 -4.691 -1.589) 11.851 19.792 ( 1.745 -1.390 1.836) 2.890 20.772 ( -21.788 -3.739 -14.103) 26.222 22.648 ( 27.766 -9.056 7.196) 30.079 23.280 ( -10.868 8.173 2.513) 13.828 23.889 ( 12.905 5.357 4.878) 14.800 ======================= Grid point 798 (405/432) ======================= q-point: ( 0.36 0.36 -0.54) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.344 ( -3.156 -0.000 12.438) 12.832 3.465 ( 19.906 0.000 -1.505) 19.962 3.834 ( -0.091 -0.000 16.235) 16.236 3.848 ( 6.514 0.000 -4.676) 8.018 4.111 ( -17.162 -0.000 0.165) 17.163 4.112 ( -15.574 -0.000 5.007) 16.359 4.753 ( -6.001 -0.000 -1.939) 6.306 5.530 ( -12.078 -0.000 -8.069) 14.525 5.889 ( 4.516 0.000 5.151) 6.850 6.057 ( 3.198 0.000 5.410) 6.285 6.506 ( 7.895 0.000 6.002) 9.918 6.640 ( 8.753 0.000 1.020) 8.812 6.714 ( -2.084 -0.000 7.850) 8.122 6.950 ( -5.949 -0.000 4.531) 7.478 7.338 ( -7.177 -0.000 3.539) 8.002 7.518 ( -6.473 -0.000 -7.650) 10.021 9.161 ( 11.748 0.000 7.450) 13.911 9.708 ( -8.919 -0.000 20.063) 21.957 9.986 ( 12.972 0.000 -0.838) 12.999 10.157 ( -19.219 -0.000 18.952) 26.991 10.794 ( 23.017 0.000 -32.620) 39.923 11.052 ( -2.032 -0.000 -13.071) 13.228 12.091 ( 17.712 0.000 -5.538) 18.558 12.369 ( -11.798 -0.000 -1.621) 11.909 12.916 ( 0.489 0.000 8.970) 8.983 13.061 ( -5.399 -0.000 0.279) 5.406 13.493 ( 5.694 0.000 -3.765) 6.826 14.285 ( -9.271 -0.000 7.388) 11.855 17.561 ( 4.999 0.000 -19.714) 20.338 18.002 ( -3.691 -0.000 24.989) 25.260 19.608 ( -6.731 -0.000 -8.578) 10.903 19.748 ( -6.925 -0.000 -1.835) 7.164 20.251 ( 28.562 0.000 -4.026) 28.845 22.279 ( -13.284 -0.000 6.275) 14.692 24.006 ( -1.108 -0.000 -6.907) 6.995 24.320 ( -11.269 -0.000 -2.795) 11.611 ======================= Grid point 799 (406/432) ======================= q-point: ( 0.45 0.36 -0.54) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.308 ( -14.939 1.758 9.702) 17.899 3.724 ( 8.403 -0.539 5.918) 10.292 3.768 ( -5.847 3.910 -0.900) 7.091 3.861 ( -3.181 -6.855 -4.318) 8.704 4.047 ( 3.039 4.524 3.986) 6.752 4.218 ( 7.559 -3.315 8.976) 12.194 4.697 ( 0.617 -2.428 -3.040) 3.939 5.251 ( -15.155 1.204 -7.215) 16.828 6.016 ( 4.314 0.959 8.008) 9.146 6.158 ( -0.987 -7.549 4.155) 8.673 6.596 ( 8.287 -0.527 -4.467) 9.429 6.714 ( -0.984 2.056 3.814) 4.443 6.864 ( 7.377 -1.340 9.624) 12.200 6.960 ( -2.763 4.944 8.686) 10.369 7.329 ( -5.426 -9.355 2.292) 11.055 7.414 ( -2.039 0.247 -2.617) 3.326 9.425 ( 10.052 -2.182 10.512) 14.707 9.776 ( -12.464 2.560 16.798) 21.073 10.091 ( 3.501 6.296 5.763) 9.225 10.184 ( -6.598 -4.770 12.903) 15.257 10.746 ( 22.748 0.216 -27.465) 35.663 10.866 ( -2.009 2.938 -11.181) 11.734 12.106 ( 3.122 11.783 -8.825) 15.049 12.187 ( -9.818 -0.030 -5.355) 11.184 13.011 ( -0.193 -2.979 3.722) 4.771 13.026 ( -1.302 -5.736 0.324) 5.891 13.544 ( 7.130 1.089 -1.520) 7.371 14.194 ( -13.500 2.734 4.671) 14.545 17.517 ( 11.597 -0.802 -7.021) 13.581 18.253 ( -1.580 -3.564 20.739) 21.103 19.336 ( -11.528 4.762 -10.235) 16.134 19.632 ( -8.044 -4.595 -5.673) 10.863 20.648 ( 36.557 0.404 -2.328) 36.633 22.163 ( -16.994 -2.787 4.635) 17.834 23.881 ( -2.484 5.121 -5.577) 7.969 24.124 ( -11.825 -1.482 -5.984) 13.336 ======================= Grid point 800 (407/432) ======================= q-point: ( 0.55 0.36 -0.54) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.244 ( -9.004 1.189 9.998) 13.508 3.586 ( -8.755 -0.159 -4.769) 9.971 3.768 ( -1.202 0.262 2.967) 3.212 4.003 ( -0.739 3.729 -1.112) 3.960 4.083 ( 7.592 -2.454 7.677) 11.072 4.437 ( 10.763 -1.256 4.601) 11.772 4.704 ( 7.641 2.424 -8.352) 11.576 4.985 ( -16.337 -3.846 -3.814) 17.211 6.172 ( 3.253 -4.613 8.100) 9.873 6.268 ( -1.171 -10.552 4.594) 11.568 6.656 ( 8.559 0.059 -5.042) 9.934 6.721 ( -1.401 -0.317 -0.190) 1.449 6.978 ( -0.454 1.085 9.641) 9.712 7.085 ( 5.811 0.630 8.944) 10.685 7.336 ( -5.550 -7.067 -1.680) 9.141 7.398 ( -0.671 -2.000 0.114) 2.113 9.649 ( 4.918 -1.185 7.233) 8.826 9.737 ( -13.008 3.185 12.179) 18.102 10.170 ( -4.626 4.973 17.493) 18.765 10.309 ( 3.762 -1.799 6.188) 7.462 10.673 ( 1.863 3.635 -11.088) 11.817 10.791 ( 18.005 -1.622 -18.781) 26.067 11.874 ( -2.354 14.227 -10.020) 17.560 11.935 ( -12.283 8.562 -6.484) 16.316 13.031 ( -5.962 -7.050 4.474) 10.260 13.148 ( 7.871 -10.784 -4.981) 14.250 13.623 ( 10.601 5.493 0.384) 11.945 14.003 ( -16.363 5.868 2.481) 17.559 17.695 ( 15.535 -0.542 4.849) 16.283 18.420 ( -5.259 -1.802 6.777) 8.765 19.094 ( -5.697 -0.968 -4.089) 7.079 19.487 ( -7.452 -4.414 -8.189) 11.920 21.112 ( 37.633 0.982 -0.181) 37.646 21.968 ( -23.630 -4.571 1.119) 24.094 23.760 ( -0.878 5.189 -3.242) 6.181 23.916 ( -9.919 1.189 -5.414) 11.363 ======================= Grid point 801 (408/432) ======================= q-point: (-0.36 0.36 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.290 ( -0.618 0.806 10.005) 10.056 3.462 ( -0.162 0.057 -6.252) 6.255 3.802 ( -1.975 1.838 4.676) 5.398 3.905 ( -0.282 -0.358 -5.491) 5.510 4.242 ( -4.155 3.924 14.302) 15.402 4.552 ( 7.828 1.159 -15.324) 17.247 4.678 ( -4.858 -2.221 8.150) 9.744 4.851 ( 5.164 -1.937 -8.577) 10.197 6.347 ( 0.588 -8.844 6.837) 11.194 6.389 ( -2.556 -11.566 3.577) 12.373 6.634 ( -6.486 1.436 -0.614) 6.671 6.717 ( 7.617 -0.364 -6.475) 10.004 7.154 ( 4.924 -5.341 9.640) 12.071 7.229 ( 1.928 -1.214 7.185) 7.538 7.296 ( -1.144 -2.231 -2.682) 3.672 7.372 ( -3.614 -5.313 -4.884) 8.071 9.663 ( -11.265 2.693 10.878) 15.890 9.772 ( 4.641 1.353 0.766) 4.894 10.260 ( -10.001 2.512 19.421) 21.989 10.407 ( -1.073 1.699 5.175) 5.551 10.548 ( -4.024 1.103 -6.110) 7.399 10.836 ( 20.713 0.014 -19.577) 28.501 11.639 ( -6.838 13.715 -3.401) 15.698 11.659 ( 2.731 13.497 -5.402) 14.793 13.093 ( -5.876 -10.266 7.419) 13.963 13.256 ( 4.942 -12.596 -8.234) 15.839 13.738 ( 10.783 9.533 1.580) 14.479 13.745 ( -12.075 8.875 0.680) 15.001 17.994 ( 15.418 1.603 11.193) 19.119 18.243 ( -13.567 2.538 -10.920) 17.600 19.162 ( 1.198 -7.914 7.630) 11.058 19.354 ( -0.629 -5.006 -9.747) 10.975 21.561 ( 11.592 0.057 4.431) 12.410 21.672 ( -6.535 -4.727 -6.427) 10.313 23.707 ( -2.209 3.693 0.758) 4.370 23.744 ( -2.521 4.502 -2.627) 5.790 ======================= Grid point 802 (409/432) ======================= q-point: (-0.27 -0.64 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.390 ( 4.063 1.920 -0.559) 4.528 3.469 ( 9.542 0.500 1.222) 9.633 3.771 ( -6.609 -1.274 5.832) 8.906 3.900 ( 4.253 3.731 -3.547) 6.678 4.239 ( -11.394 0.635 5.721) 12.765 4.458 ( -1.816 -4.036 -3.102) 5.404 4.610 ( -1.759 3.916 -7.445) 8.594 4.994 ( 14.777 -0.869 1.484) 14.876 6.403 ( -8.582 -7.228 -0.629) 11.238 6.434 ( -7.803 -1.894 -0.336) 8.037 6.590 ( -3.880 -8.599 6.141) 11.257 6.743 ( 7.546 1.494 -5.730) 9.593 7.149 ( -10.165 7.306 0.948) 12.554 7.235 ( -2.472 -3.953 -3.939) 6.103 7.327 ( 1.470 -7.121 -5.474) 9.102 7.561 ( 13.236 -18.645 6.096) 23.664 9.628 ( -8.075 1.643 7.684) 11.267 9.790 ( 1.930 5.640 -0.579) 5.989 10.284 ( -10.876 9.559 2.083) 14.629 10.335 ( -4.706 -2.878 2.776) 6.175 10.427 ( -14.677 -3.719 7.465) 16.881 10.874 ( 20.348 1.798 -18.871) 27.810 11.415 ( -3.164 18.493 0.626) 18.773 11.715 ( 17.555 7.623 4.379) 19.633 13.207 ( -7.411 -12.976 8.941) 17.413 13.301 ( 2.373 -9.639 -8.040) 12.774 13.479 ( -11.768 10.313 0.628) 15.660 13.869 ( 16.348 11.776 0.371) 20.151 17.880 ( -15.616 1.927 -12.429) 20.051 18.300 ( 13.749 3.191 11.068) 17.936 19.181 ( -7.441 -3.953 -1.139) 8.503 19.490 ( 14.081 -9.486 0.665) 16.991 21.187 ( -33.869 -3.152 -6.007) 34.542 22.064 ( 31.565 -3.784 0.348) 31.793 23.583 ( -7.465 7.811 2.551) 11.101 23.790 ( 8.302 2.617 3.142) 9.254 ======================= Grid point 803 (410/432) ======================= q-point: (-0.18 -0.64 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.355 ( 6.027 6.970 -10.391) 13.888 3.643 ( 4.526 0.877 7.761) 9.027 3.812 ( -3.137 2.244 6.921) 7.923 3.855 ( 2.764 0.793 -3.221) 4.317 4.114 ( -10.819 -8.317 -0.739) 13.666 4.441 ( 2.839 0.494 -7.796) 8.311 4.559 ( 5.034 3.140 3.588) 6.933 5.206 ( 9.576 -1.809 5.548) 11.214 6.220 ( -13.609 -2.103 -7.216) 15.546 6.355 ( -11.539 -0.673 4.671) 12.467 6.656 ( -7.290 -5.884 1.368) 9.468 6.754 ( 7.083 1.330 -6.711) 9.848 6.938 ( -10.661 6.176 -0.354) 12.326 7.203 ( -2.131 -7.102 -3.693) 8.284 7.336 ( 2.236 -5.431 -6.288) 8.605 7.969 ( 13.337 -23.937 2.001) 27.474 9.572 ( -5.191 9.329 2.367) 10.936 9.728 ( -5.671 -2.078 0.425) 6.054 9.987 ( -9.272 12.597 -7.088) 17.173 10.343 ( -21.051 -4.552 10.837) 24.110 10.425 ( 2.102 -7.152 3.672) 8.310 10.918 ( 18.766 1.506 -14.519) 23.775 11.262 ( 3.047 21.783 1.904) 22.078 12.001 ( 19.256 2.013 7.696) 20.835 13.173 ( -9.528 3.063 -1.954) 10.197 13.306 ( 0.751 -4.512 -5.522) 7.171 13.421 ( -4.036 -5.476 9.856) 11.976 13.958 ( 14.129 13.318 -1.404) 19.468 17.570 ( -13.876 -0.714 -5.877) 15.086 18.548 ( 10.843 0.535 7.335) 13.102 19.112 ( -3.840 -0.992 -1.252) 4.159 19.736 ( 8.592 -5.393 2.547) 10.459 20.711 ( -28.589 -3.428 -8.502) 30.023 22.488 ( 25.639 -9.433 -0.732) 27.330 23.450 ( -7.517 11.454 4.707) 14.486 23.960 ( 12.013 2.993 7.009) 14.227 ======================= Grid point 804 (411/432) ======================= q-point: (-0.09 -0.64 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.163 ( -1.789 11.975 -15.076) 19.336 3.552 ( -6.491 10.681 -4.733) 13.365 3.781 ( -13.869 -3.548 3.635) 14.770 3.981 ( 13.208 -4.031 6.566) 15.291 4.250 ( 5.861 -10.526 10.320) 15.863 4.400 ( 12.611 7.595 -12.702) 19.444 4.675 ( 0.584 -4.618 8.679) 9.848 5.391 ( 5.009 -0.562 7.833) 9.315 5.969 ( -15.930 -1.754 -4.581) 16.668 6.246 ( -11.207 0.147 1.519) 11.311 6.492 ( -14.370 4.018 -2.576) 15.142 6.725 ( 1.560 -0.843 -11.503) 11.639 6.840 ( -3.881 0.796 5.988) 7.180 7.213 ( -0.049 -3.468 -0.516) 3.507 7.343 ( 4.148 -7.289 -8.733) 12.108 8.311 ( 8.162 -23.402 -2.168) 24.880 9.381 ( -10.380 12.355 0.770) 16.155 9.687 ( -2.849 7.630 -5.806) 10.002 9.785 ( -3.379 -8.027 1.558) 8.847 10.179 ( -21.537 4.077 7.542) 23.181 10.558 ( 4.661 -6.486 1.231) 8.082 11.001 ( 19.446 -1.330 -15.798) 25.090 11.190 ( 3.928 13.890 5.390) 15.408 12.293 ( 14.542 0.841 4.832) 15.347 13.029 ( -2.325 5.502 -1.800) 6.238 13.259 ( 0.853 1.823 -6.032) 6.359 13.540 ( -4.956 -8.018 9.727) 13.545 13.979 ( 9.754 14.364 -1.593) 17.436 17.421 ( -10.271 -2.894 4.556) 11.603 18.727 ( 5.037 -7.754 -1.341) 9.343 19.084 ( 2.145 4.968 3.138) 6.256 19.765 ( -12.443 2.865 2.486) 13.009 20.412 ( -5.953 -5.780 -7.781) 11.375 22.859 ( 17.982 -16.004 -3.675) 24.352 23.307 ( -7.080 14.022 6.805) 17.119 24.190 ( 13.590 5.180 9.217) 17.218 ======================= Grid point 810 (412/432) ======================= q-point: ( 0.45 0.45 -0.54) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.253 ( -9.306 -0.000 9.401) 13.228 3.584 ( -9.194 -0.000 -4.480) 10.227 3.767 ( 1.103 0.000 -0.348) 1.157 4.048 ( -4.990 -0.000 2.083) 5.408 4.058 ( 11.067 0.000 8.023) 13.669 4.424 ( 12.114 0.000 3.333) 12.564 4.713 ( 9.316 0.000 -4.249) 10.239 4.963 ( -19.894 -0.000 -4.349) 20.364 6.137 ( 1.069 0.000 6.571) 6.658 6.161 ( -0.610 -0.000 4.807) 4.845 6.654 ( 9.846 0.000 -5.676) 11.365 6.721 ( -2.802 -0.000 0.677) 2.883 7.013 ( -3.869 -0.000 7.195) 8.169 7.076 ( 5.500 0.000 9.429) 10.916 7.250 ( -0.839 -0.000 -0.361) 0.913 7.406 ( -0.268 -0.000 0.460) 0.532 9.638 ( 6.782 0.000 8.199) 10.640 9.766 ( -16.458 -0.000 13.322) 21.174 10.215 ( -15.843 -0.000 25.881) 30.345 10.287 ( 17.743 0.000 -5.375) 18.539 10.719 ( -4.638 -0.000 -8.534) 9.713 10.767 ( 22.944 0.000 -21.573) 31.493 11.950 ( -11.225 -0.000 -4.274) 12.011 12.072 ( -2.069 -0.000 -12.660) 12.828 12.957 ( -5.737 -0.000 3.516) 6.729 13.049 ( 6.057 0.000 -4.035) 7.278 13.671 ( 11.793 0.000 0.935) 11.830 14.053 ( -16.780 -0.000 3.247) 17.091 17.691 ( 16.030 0.000 5.419) 16.921 18.403 ( -3.721 -0.000 9.845) 10.524 19.090 ( -10.443 -0.000 -5.710) 11.902 19.447 ( -5.213 -0.000 -8.798) 10.227 21.120 ( 38.543 0.000 -1.603) 38.576 21.930 ( -23.438 -0.000 1.719) 23.501 23.806 ( -3.758 -0.000 -2.849) 4.715 23.923 ( -7.711 -0.000 -5.606) 9.533 ======================= Grid point 811 (413/432) ======================= q-point: (-0.45 -0.55 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.301 ( 0.668 0.368 8.866) 8.899 3.459 ( -0.174 -0.176 -6.459) 6.464 3.828 ( 3.910 0.993 4.091) 5.745 3.899 ( -9.232 -0.334 -2.702) 9.625 4.301 ( 2.302 2.376 12.479) 12.910 4.564 ( 9.647 0.269 -11.049) 14.670 4.651 ( -22.014 -0.873 6.293) 22.912 4.823 ( 16.479 -1.174 -8.142) 18.418 6.214 ( -1.484 -4.827 4.958) 7.077 6.233 ( -0.690 -5.798 3.148) 6.633 6.647 ( -8.714 0.262 0.170) 8.720 6.717 ( 8.766 -0.045 -4.984) 10.084 7.082 ( 2.791 -1.819 6.536) 7.336 7.182 ( 2.696 -3.165 -3.062) 5.164 7.284 ( 0.720 1.243 5.940) 6.111 7.382 ( -2.183 1.261 -1.816) 3.107 9.693 ( -14.672 0.873 11.339) 18.564 9.788 ( 7.418 0.533 2.830) 7.958 10.282 ( -17.265 0.442 22.283) 28.192 10.432 ( 9.869 0.949 -3.129) 10.396 10.552 ( -9.470 -0.093 -4.173) 10.349 10.836 ( 22.712 -0.029 -19.341) 29.831 11.797 ( -4.469 5.693 -0.339) 7.246 11.873 ( -0.026 8.128 -8.479) 11.746 12.954 ( -6.423 -5.170 5.860) 10.116 13.087 ( 5.377 -6.213 -6.829) 10.684 13.844 ( -16.006 3.228 2.070) 16.459 13.852 ( 14.033 3.441 1.425) 14.519 18.013 ( 16.576 0.583 12.364) 20.687 18.273 ( -13.873 0.983 -10.376) 17.352 19.068 ( 1.402 -3.020 8.752) 9.364 19.295 ( -0.903 -1.885 -11.453) 11.642 21.571 ( 0.330 1.257 0.142) 1.307 21.607 ( 5.556 -3.006 -3.380) 7.164 23.750 ( -2.211 1.369 1.368) 2.938 23.796 ( -3.139 1.641 -2.842) 4.542 ======================= Grid point 812 (414/432) ======================= q-point: (-0.36 -0.55 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.417 ( 7.032 1.460 -2.573) 7.629 3.472 ( 10.486 -0.186 1.969) 10.671 3.752 ( -9.168 -1.015 2.821) 9.645 3.959 ( 6.858 2.908 2.586) 7.885 4.256 ( -19.185 0.325 -3.276) 19.466 4.395 ( -6.777 -1.614 3.793) 7.932 4.659 ( 4.202 1.178 -2.973) 5.280 4.987 ( 18.076 0.279 -4.108) 18.539 6.271 ( -4.999 -7.174 -0.902) 8.790 6.299 ( -2.498 -10.553 1.955) 11.019 6.526 ( -12.152 -0.417 4.536) 12.978 6.761 ( 6.070 0.445 -4.009) 7.288 7.155 ( 1.272 -2.089 -7.996) 8.362 7.233 ( -2.387 -0.642 -3.670) 4.425 7.287 ( 4.295 -0.799 4.349) 6.164 7.371 ( 3.050 -2.901 2.063) 4.688 9.644 ( -10.064 0.490 9.172) 13.625 9.883 ( 7.068 4.899 -0.809) 8.638 10.252 ( -14.210 -4.586 6.435) 16.259 10.386 ( -19.954 -1.312 11.266) 22.952 10.419 ( -2.809 5.006 -5.348) 7.846 10.896 ( 22.123 0.926 -20.460) 30.148 11.709 ( 0.082 15.214 5.241) 16.092 11.851 ( 12.448 7.152 1.186) 14.405 13.010 ( -6.954 -9.623 7.937) 14.282 13.136 ( 3.950 -9.072 -6.155) 11.653 13.615 ( -14.359 5.760 1.383) 15.533 14.028 ( 16.225 6.818 0.337) 17.603 17.905 ( -16.736 1.017 -14.154) 21.942 18.344 ( 13.412 1.937 11.188) 17.573 19.151 ( -0.309 0.453 -3.426) 3.470 19.336 ( 11.776 -8.526 2.858) 14.816 21.145 ( -34.606 -1.754 -3.781) 34.856 22.011 ( 30.734 -2.390 -3.117) 30.984 23.702 ( -3.542 6.125 2.858) 7.630 23.813 ( 5.014 0.037 3.998) 6.413 ======================= Grid point 813 (415/432) ======================= q-point: (-0.27 -0.55 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.447 ( 10.661 3.895 -9.332) 14.694 3.643 ( 2.553 0.216 9.093) 9.447 3.792 ( 4.006 -2.815 6.960) 8.510 3.957 ( -3.933 5.102 -6.849) 9.402 3.978 ( -13.195 -4.249 -0.613) 13.876 4.393 ( -1.349 -3.768 0.314) 4.014 4.657 ( 7.758 5.033 -4.402) 10.242 5.169 ( 10.737 -1.285 2.367) 11.070 6.170 ( -11.015 -3.523 -5.504) 12.808 6.317 ( -9.303 -4.868 2.374) 10.764 6.514 ( -6.672 -8.830 6.767) 12.973 6.772 ( 4.479 0.540 -5.211) 6.893 7.039 ( -6.895 5.437 -5.716) 10.477 7.088 ( -0.397 -2.380 -9.733) 10.028 7.348 ( 1.297 2.389 0.530) 2.770 7.617 ( 13.812 -17.874 0.134) 22.590 9.623 ( -5.450 -1.862 2.816) 6.411 9.793 ( -8.483 8.745 -1.852) 12.323 10.165 ( -2.971 4.561 -11.644) 12.854 10.264 ( -18.592 -1.065 13.428) 22.959 10.326 ( -9.601 -4.217 11.923) 15.878 10.936 ( 20.564 0.980 -18.988) 28.006 11.635 ( -0.614 21.000 7.220) 22.215 12.053 ( 17.826 3.740 5.360) 18.986 13.086 ( -7.640 -9.685 5.665) 13.574 13.196 ( 3.409 -7.589 -4.399) 9.410 13.444 ( -7.706 4.779 3.531) 9.731 14.154 ( 14.611 9.560 -1.613) 17.534 17.558 ( -15.181 -0.680 -8.206) 17.270 18.549 ( 8.346 -0.376 0.760) 8.389 19.136 ( 4.779 3.635 -0.145) 6.006 19.619 ( 11.923 -8.212 4.586) 15.186 20.663 ( -33.504 -2.163 -4.382) 33.858 22.352 ( 23.678 -6.537 -5.078) 25.083 23.637 ( -3.403 10.460 5.265) 12.195 23.985 ( 10.280 0.043 8.142) 13.114 ======================= Grid point 814 (416/432) ======================= q-point: (-0.18 -0.55 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.347 ( -1.017 9.467 -12.760) 15.921 3.685 ( -20.708 -6.882 7.810) 23.177 3.720 ( -4.877 6.922 -2.815) 8.923 3.908 ( 8.563 -2.634 0.784) 8.993 4.120 ( 15.383 -4.735 6.421) 17.328 4.441 ( 12.143 -3.728 -8.413) 15.236 4.681 ( 3.504 5.031 1.737) 6.372 5.340 ( 3.595 -3.525 7.574) 9.095 5.964 ( -12.272 0.514 -4.586) 13.111 6.223 ( -13.072 -2.452 1.354) 13.369 6.529 ( -10.139 -1.593 4.080) 11.045 6.733 ( 2.788 1.618 -11.459) 11.904 6.871 ( -3.717 2.985 -1.951) 5.151 7.044 ( 2.739 -9.693 -6.712) 12.104 7.346 ( 2.748 2.717 -1.144) 4.030 7.942 ( 12.360 -20.682 -2.801) 24.256 9.519 ( -12.783 -4.344 -6.024) 14.784 9.653 ( -2.400 6.228 4.748) 8.190 9.900 ( -4.393 11.628 -10.351) 16.176 10.184 ( -26.330 -1.429 20.564) 33.439 10.452 ( 4.655 -6.432 3.235) 8.573 10.987 ( 19.203 -0.129 -16.547) 25.349 11.500 ( -3.545 20.866 5.224) 21.801 12.316 ( 15.575 1.651 4.608) 16.326 13.073 ( -4.228 -1.151 -0.797) 4.454 13.235 ( 1.566 -4.080 -3.611) 5.669 13.436 ( -3.763 -3.121 7.578) 9.018 14.205 ( 11.562 11.938 -3.494) 16.982 17.373 ( -10.744 -2.679 3.651) 11.659 18.603 ( 5.399 -6.783 -10.693) 13.766 19.196 ( 6.908 8.307 5.062) 11.931 19.787 ( -4.570 -0.587 2.821) 5.402 20.307 ( -14.857 -6.439 -2.028) 16.318 22.625 ( 17.586 -11.730 -6.717) 22.180 23.549 ( -4.635 14.441 6.318) 16.430 24.241 ( 12.907 0.956 9.855) 16.267 ======================= Grid point 815 (417/432) ======================= q-point: (-0.09 -0.55 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.989 ( -12.625 10.179 -15.231) 22.248 3.553 ( -10.304 8.943 4.085) 14.243 3.592 ( -5.321 -5.575 -2.785) 8.194 4.130 ( 7.482 -10.537 5.317) 13.974 4.416 ( 15.531 0.254 0.469) 15.540 4.547 ( 13.328 6.919 -2.346) 15.199 4.734 ( 4.824 -4.918 4.616) 8.292 5.468 ( -6.172 -3.970 9.564) 12.055 5.780 ( -8.238 3.608 -0.072) 8.994 6.063 ( -12.805 -3.536 -1.782) 13.403 6.389 ( -9.015 8.543 0.218) 12.422 6.561 ( -3.269 0.265 -13.830) 14.214 6.838 ( -4.551 -3.444 3.237) 6.561 7.157 ( 8.192 -8.513 -3.292) 12.264 7.356 ( 6.095 2.523 -2.995) 7.245 8.188 ( 5.528 -18.210 -3.230) 19.303 9.331 ( -12.927 5.745 2.940) 14.449 9.635 ( 1.691 -0.366 -7.836) 8.025 9.709 ( -0.521 -1.174 -2.363) 2.689 10.060 ( -23.749 5.325 16.584) 29.452 10.584 ( 3.476 -4.559 2.249) 6.158 11.043 ( 18.548 -0.047 -17.839) 25.735 11.356 ( -4.510 11.362 4.658) 13.082 12.497 ( 9.103 2.602 1.725) 9.623 13.013 ( -0.539 2.140 -3.906) 4.486 13.222 ( 0.553 -0.959 -3.443) 3.617 13.538 ( -2.352 -7.001 9.164) 11.770 14.180 ( 8.169 13.324 -4.350) 16.223 17.398 ( -5.696 -2.159 14.281) 15.526 18.568 ( 2.779 -9.723 -17.278) 20.020 19.278 ( 6.389 7.550 5.727) 11.429 19.596 ( -17.709 3.416 1.414) 18.091 20.334 ( 4.128 -5.842 0.600) 7.178 22.843 ( 10.820 -13.070 -6.987) 18.350 23.434 ( -4.337 13.713 6.056) 15.606 24.497 ( 11.198 2.436 8.887) 14.503 ======================= Grid point 822 (418/432) ======================= q-point: (-0.45 -0.45 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.433 ( 9.002 0.000 -8.111) 12.117 3.467 ( 10.514 0.000 6.864) 12.556 3.742 ( -10.724 -0.000 1.671) 10.853 3.985 ( 8.002 0.000 5.640) 9.790 4.251 ( -24.121 -0.000 -6.835) 25.071 4.394 ( -5.410 -0.000 5.175) 7.487 4.662 ( 4.110 0.000 -0.994) 4.229 4.993 ( 20.391 0.000 -5.688) 21.170 6.196 ( -2.791 -0.000 1.826) 3.336 6.209 ( -3.142 -0.000 -0.270) 3.154 6.525 ( -13.037 -0.000 4.315) 13.733 6.763 ( 5.445 0.000 -3.489) 6.467 7.155 ( 5.208 0.000 -7.783) 9.364 7.176 ( 6.077 0.000 0.299) 6.084 7.308 ( -2.908 -0.000 -4.207) 5.114 7.362 ( -1.198 -0.000 5.292) 5.426 9.648 ( -10.887 -0.000 9.444) 14.412 9.930 ( 11.874 0.000 -0.748) 11.898 10.207 ( -19.708 -0.000 4.977) 20.327 10.376 ( -21.430 -0.000 12.190) 24.654 10.460 ( -0.210 -0.000 -4.333) 4.339 10.904 ( 22.571 0.000 -20.871) 30.742 11.866 ( 2.211 0.000 7.271) 7.600 11.900 ( 8.668 0.000 -0.605) 8.689 12.924 ( -5.961 -0.000 7.368) 9.478 13.048 ( 3.927 0.000 -5.531) 6.783 13.664 ( -15.265 -0.000 1.780) 15.369 14.086 ( 16.138 0.000 0.276) 16.141 17.913 ( -17.170 -0.000 -14.828) 22.687 18.360 ( 13.234 0.000 11.213) 17.346 19.179 ( 6.277 0.000 -11.648) 13.232 19.239 ( 7.022 0.000 11.109) 13.142 21.130 ( -34.744 -0.000 -3.118) 34.883 21.990 ( 30.383 0.000 -4.197) 30.672 23.770 ( -0.463 -0.000 0.864) 0.981 23.798 ( 2.207 0.000 6.348) 6.721 ======================= Grid point 823 (419/432) ======================= q-point: (-0.36 -0.45 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.488 ( 13.042 1.122 -8.411) 15.560 3.665 ( -2.172 2.184 7.667) 8.263 3.739 ( 12.605 -3.215 5.075) 13.963 3.865 ( -26.039 -3.759 -4.330) 26.663 4.103 ( 4.954 6.301 0.037) 8.016 4.335 ( -4.613 -2.981 -2.033) 5.856 4.691 ( 5.459 -0.024 -3.607) 6.543 5.180 ( 14.023 1.587 -0.245) 14.115 6.123 ( -7.767 -1.589 -3.520) 8.674 6.200 ( -3.236 -6.041 0.355) 6.862 6.436 ( -12.480 -1.387 9.053) 15.480 6.777 ( 3.316 0.151 -3.390) 4.745 7.092 ( -4.757 1.011 -10.538) 11.606 7.114 ( 2.015 3.432 -7.451) 8.447 7.379 ( 2.602 0.073 1.726) 3.123 7.392 ( 9.573 -7.464 -2.016) 12.305 9.595 ( -8.178 -1.013 -1.118) 8.316 9.934 ( -13.633 7.205 3.533) 15.819 10.101 ( 6.407 -6.111 -3.839) 9.651 10.265 ( -24.358 -1.283 18.024) 30.328 10.353 ( -7.071 3.702 -0.289) 7.987 10.951 ( 20.641 0.589 -18.985) 28.051 11.917 ( -2.353 11.543 9.030) 14.843 12.089 ( 14.306 -0.549 4.100) 14.892 12.968 ( -2.632 -3.013 6.443) 7.584 13.072 ( 3.696 -5.944 -2.929) 7.587 13.507 ( -10.538 2.132 2.377) 11.011 14.263 ( 14.542 3.363 -1.833) 15.038 17.549 ( -15.811 -0.272 -9.572) 18.485 18.542 ( 7.210 -0.309 -3.846) 8.178 19.213 ( 12.614 4.371 -0.772) 13.372 19.489 ( 10.168 -6.019 7.914) 14.221 20.639 ( -35.627 -0.715 -2.447) 35.718 22.278 ( 22.643 -2.297 -6.814) 23.757 23.777 ( -0.302 5.391 4.701) 7.160 23.967 ( 8.512 -1.581 9.195) 12.629 ======================= Grid point 824 (420/432) ======================= q-point: (-0.27 -0.45 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.464 ( -6.088 4.245 -7.121) 10.286 3.547 ( -21.595 -7.267 1.027) 22.808 3.750 ( 1.448 -1.567 6.810) 7.136 3.975 ( 6.281 6.975 -5.844) 11.057 4.081 ( 17.852 0.837 1.689) 17.951 4.342 ( 6.690 -7.216 -6.142) 11.599 4.742 ( 7.329 1.217 -1.641) 7.609 5.327 ( 5.482 2.141 7.109) 9.229 5.970 ( -8.729 0.211 -4.371) 9.764 6.169 ( -10.232 -3.985 0.587) 10.996 6.443 ( -8.368 -6.013 9.205) 13.817 6.772 ( 3.481 2.700 -8.188) 9.298 6.889 ( -3.282 -1.988 -8.973) 9.759 7.005 ( -0.348 4.671 -6.788) 8.247 7.388 ( 2.673 2.271 -0.165) 3.512 7.637 ( 14.582 -15.418 -4.281) 21.649 9.400 ( -13.068 -5.920 -9.905) 17.433 9.802 ( -8.687 8.078 8.211) 14.427 10.059 ( 0.682 5.586 -14.103) 15.184 10.164 ( -28.398 -0.731 25.278) 38.026 10.363 ( 3.524 -3.272 5.207) 7.088 11.001 ( 18.489 1.577 -14.933) 23.819 11.814 ( -9.338 15.231 6.712) 19.084 12.331 ( 14.314 -0.463 3.629) 14.774 13.017 ( -1.441 -2.712 2.122) 3.732 13.152 ( 4.031 -5.934 -2.942) 7.753 13.424 ( -6.078 0.580 4.156) 7.386 14.359 ( 11.979 6.334 -4.481) 14.272 17.337 ( -10.895 -1.563 2.873) 11.376 18.512 ( 6.488 -3.922 -17.241) 18.834 19.350 ( 10.878 9.574 5.664) 15.559 19.738 ( 5.388 -5.143 4.449) 8.677 20.216 ( -26.596 -3.972 0.850) 26.904 22.477 ( 16.904 -6.012 -8.174) 19.715 23.764 ( -1.921 10.589 6.566) 12.606 24.229 ( 12.018 -2.018 9.371) 15.372 ======================= Grid point 825 (421/432) ======================= q-point: (-0.18 -0.45 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.125 ( -20.143 5.518 -10.056) 23.180 3.399 ( -21.183 -11.666 5.185) 24.732 3.749 ( 1.504 10.012 -4.932) 11.262 3.993 ( 9.851 -5.151 -1.610) 11.233 4.399 ( 19.955 -1.432 2.074) 20.113 4.518 ( 19.276 -7.312 -2.228) 20.737 4.790 ( 6.349 6.513 -0.906) 9.141 5.443 ( -4.839 2.130 13.921) 14.891 5.826 ( -2.910 1.439 -4.528) 5.571 6.022 ( -15.176 -1.334 0.219) 15.236 6.462 ( -8.197 -0.753 3.182) 8.825 6.574 ( -5.058 1.023 -11.998) 13.061 6.805 ( -3.091 0.313 -5.763) 6.547 7.031 ( 10.640 -5.007 -0.865) 11.791 7.410 ( 6.222 3.781 -1.896) 7.523 7.898 ( 10.710 -16.440 -2.546) 19.785 9.231 ( -9.869 -11.901 -4.230) 16.029 9.697 ( -8.674 7.456 2.156) 11.639 9.824 ( -0.539 8.898 -11.969) 14.924 10.113 ( -26.270 2.063 27.142) 37.829 10.507 ( 5.889 -4.786 1.721) 7.781 11.061 ( 17.001 2.513 -12.160) 21.053 11.600 ( -11.556 15.428 2.945) 19.499 12.520 ( 9.170 -0.140 1.387) 9.275 13.017 ( -0.579 -1.364 -3.275) 3.595 13.183 ( 0.928 -3.184 -3.201) 4.610 13.439 ( -3.082 -4.528 6.119) 8.213 14.367 ( 9.339 8.711 -7.165) 14.643 17.367 ( -3.941 -1.470 15.915) 16.461 18.415 ( 6.277 -7.946 -22.364) 24.549 19.440 ( 6.955 10.958 4.587) 13.766 19.650 ( -17.604 3.544 1.375) 18.010 20.198 ( 2.434 -10.456 4.344) 11.582 22.646 ( 14.177 -9.544 -8.251) 18.978 23.689 ( -4.680 15.276 6.335) 17.187 24.495 ( 10.620 -2.363 7.232) 13.064 ======================= Grid point 826 (422/432) ======================= q-point: (-0.09 -0.45 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( -17.710 4.631 -8.677) 20.258 3.312 ( -22.964 -14.220 10.348) 28.925 3.654 ( 9.345 7.646 -8.710) 14.888 4.154 ( 6.688 -8.278 -1.471) 10.743 4.602 ( 10.088 0.616 -0.864) 10.144 4.731 ( 7.257 12.551 -2.799) 14.766 4.923 ( 22.158 -4.853 5.786) 23.410 5.421 ( -14.034 3.880 6.282) 15.858 5.759 ( -9.532 4.617 5.424) 11.899 5.911 ( -1.429 -4.993 2.476) 5.753 6.281 ( -5.848 -1.500 -11.539) 13.023 6.407 ( -4.381 6.727 -5.986) 10.014 6.776 ( -3.573 -4.718 4.441) 7.399 7.193 ( 6.416 -4.623 -0.411) 7.919 7.434 ( 8.789 3.799 -6.099) 11.352 8.123 ( 5.530 -11.198 3.089) 12.865 9.223 ( -8.718 -6.201 4.447) 11.586 9.536 ( -0.254 -3.921 -8.146) 9.044 9.687 ( -0.354 3.846 -3.421) 5.159 10.039 ( -21.521 8.317 20.795) 31.060 10.617 ( 2.633 -3.330 1.663) 4.560 11.090 ( 13.693 5.550 -14.317) 20.574 11.380 ( -8.456 7.174 2.185) 11.303 12.596 ( 2.562 0.303 -0.513) 2.630 12.958 ( -0.026 -0.333 -6.315) 6.324 13.178 ( -1.872 -1.943 0.081) 2.699 13.551 ( -1.152 -8.662 7.488) 11.508 14.299 ( 7.131 9.836 -9.396) 15.358 17.569 ( 0.866 2.006 20.326) 20.443 18.302 ( 4.174 -9.012 -21.243) 23.450 19.451 ( -1.465 4.331 1.047) 4.690 19.465 ( -3.686 6.699 2.123) 7.935 20.355 ( 2.516 -6.801 2.533) 7.681 22.809 ( 11.025 -9.076 -6.535) 15.704 23.545 ( -6.267 14.989 4.558) 16.873 24.683 ( 5.096 -2.227 3.617) 6.634 ======================= Grid point 834 (423/432) ======================= q-point: (-0.36 -0.36 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.465 ( -27.174 -0.000 -1.005) 27.192 3.514 ( -4.721 -0.000 -2.342) 5.270 3.734 ( 4.878 0.000 4.007) 6.313 4.015 ( 19.488 0.000 -0.125) 19.489 4.163 ( 5.331 0.000 -5.614) 7.742 4.231 ( 4.803 0.000 -5.985) 7.674 4.744 ( 8.367 0.000 -1.795) 8.557 5.360 ( 6.869 0.000 6.732) 9.618 5.973 ( -8.083 -0.000 -3.477) 8.799 6.121 ( -5.811 -0.000 -0.714) 5.854 6.391 ( -10.379 -0.000 10.660) 14.879 6.803 ( 6.691 0.000 -2.930) 7.305 6.863 ( -7.706 -0.000 -14.364) 16.300 7.068 ( -1.936 -0.000 -5.932) 6.240 7.423 ( 4.306 0.000 1.956) 4.729 7.475 ( 15.232 0.000 -7.803) 17.114 9.349 ( -14.546 -0.000 -10.631) 18.017 9.881 ( -13.145 -0.000 11.642) 17.559 10.087 ( 8.168 0.000 -17.025) 18.883 10.158 ( -29.054 -0.000 26.545) 39.354 10.345 ( 1.576 0.000 3.836) 4.147 11.019 ( 17.923 0.000 -12.941) 22.107 11.955 ( -13.467 -0.000 7.568) 15.448 12.314 ( 13.933 0.000 3.422) 14.347 13.026 ( 3.835 0.000 0.005) 3.835 13.065 ( 2.858 0.000 -0.360) 2.880 13.432 ( -7.419 -0.000 3.107) 8.043 14.412 ( 12.044 0.000 -4.835) 12.978 17.324 ( -10.906 -0.000 2.550) 11.200 18.479 ( 6.974 0.000 -19.640) 20.841 19.460 ( 13.637 0.000 5.138) 14.572 19.665 ( 8.656 0.000 6.231) 10.666 20.183 ( -31.839 -0.000 1.350) 31.868 22.427 ( 16.602 0.000 -8.525) 18.663 23.863 ( -0.854 -0.000 6.925) 6.978 24.202 ( 11.699 0.000 8.860) 14.676 ======================= Grid point 835 (424/432) ======================= q-point: (-0.27 -0.36 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.147 ( -25.475 -2.128 1.892) 25.634 3.277 ( -23.680 -1.935 -3.660) 24.039 3.849 ( 6.532 1.374 0.313) 6.682 3.982 ( 5.375 2.958 -14.521) 15.764 4.378 ( 21.356 -0.775 1.251) 21.406 4.403 ( 21.283 -4.949 -0.044) 21.851 4.854 ( 11.187 1.517 -1.420) 11.379 5.510 ( -2.954 3.650 16.882) 17.522 5.838 ( -2.833 0.416 -6.653) 7.243 6.004 ( -11.835 -1.026 -0.580) 11.894 6.409 ( -7.228 -3.026 6.713) 10.318 6.588 ( -7.413 0.535 -12.140) 14.235 6.819 ( 0.554 0.266 -10.095) 10.113 7.006 ( 4.222 0.867 1.131) 4.456 7.492 ( 10.289 6.709 -2.709) 12.579 7.653 ( 13.009 -12.580 -1.923) 18.198 9.079 ( -12.925 -5.018 -6.317) 15.236 9.786 ( -12.615 2.809 3.069) 13.283 9.939 ( 1.639 3.742 -15.759) 16.280 10.142 ( -27.754 1.194 34.505) 44.298 10.440 ( 7.971 -2.486 -1.452) 8.475 11.114 ( 15.417 2.647 -6.900) 17.097 11.795 ( -16.110 6.502 4.295) 17.896 12.502 ( 9.361 -1.172 1.195) 9.509 13.004 ( 0.685 0.491 -6.978) 7.029 13.122 ( 2.091 -3.508 -0.745) 4.151 13.393 ( -4.955 -1.150 3.938) 6.433 14.464 ( 9.752 2.931 -8.524) 13.279 17.351 ( -2.809 -0.503 17.049) 17.286 18.321 ( 7.782 -3.001 -25.771) 27.087 19.579 ( -1.112 3.873 2.187) 4.585 19.754 ( -4.070 9.745 3.266) 11.054 20.001 ( -2.897 -12.178 6.445) 14.080 22.539 ( 14.588 -3.261 -8.672) 17.282 23.894 ( -3.184 7.691 7.826) 11.425 24.441 ( 10.197 -2.926 4.849) 11.664 ======================= Grid point 836 (425/432) ======================= q-point: (-0.18 -0.36 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( -24.953 3.968 -5.520) 25.863 3.056 ( -24.282 -14.523 8.171) 29.450 3.773 ( 5.852 6.677 -11.815) 14.779 4.032 ( 9.058 -6.505 -4.039) 11.861 4.610 ( 12.870 0.780 -0.596) 12.908 4.801 ( 26.046 -3.456 3.838) 26.553 4.950 ( 14.629 6.506 -3.983) 16.499 5.527 ( -15.508 7.717 12.218) 21.198 5.811 ( 2.871 0.626 -0.111) 2.941 5.853 ( -9.574 -1.216 3.410) 10.236 6.226 ( -10.167 -3.814 -13.718) 17.496 6.519 ( -3.232 5.641 -0.334) 6.510 6.697 ( -1.569 -4.411 -0.534) 4.712 7.124 ( 6.403 -3.066 1.014) 7.171 7.511 ( 9.795 5.009 -8.658) 14.000 7.952 ( 12.329 -8.890 8.250) 17.294 8.998 ( -5.450 -13.597 0.303) 14.652 9.592 ( -13.399 4.466 -1.758) 14.233 9.756 ( 0.888 4.178 -11.049) 11.845 10.157 ( -23.679 5.844 30.226) 38.839 10.544 ( 6.657 -4.874 -2.680) 8.675 11.200 ( 13.426 6.564 -5.266) 15.845 11.540 ( -16.038 9.576 0.093) 18.679 12.584 ( 2.268 -0.894 -1.547) 2.887 12.913 ( -1.188 -4.612 -9.044) 10.221 13.151 ( -0.736 -1.158 1.104) 1.761 13.425 ( -2.763 -5.584 5.524) 8.327 14.425 ( 8.073 5.135 -12.371) 15.639 17.604 ( 4.313 1.944 23.324) 23.799 18.164 ( 6.738 -6.714 -24.088) 25.898 19.469 ( -8.751 0.447 0.349) 8.770 19.674 ( 1.798 14.749 1.545) 14.938 20.194 ( 2.383 -12.083 4.198) 13.011 22.674 ( 14.821 -6.111 -7.742) 17.803 23.817 ( -6.503 15.295 6.271) 17.764 24.606 ( 4.352 -6.190 0.322) 7.574 ======================= Grid point 837 (426/432) ======================= q-point: (-0.09 -0.36 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( -15.264 -1.346 2.147) 15.473 3.023 ( -19.968 -16.758 12.669) 28.983 3.724 ( 10.636 2.429 -8.501) 13.831 4.148 ( 6.556 -6.856 -3.660) 10.168 4.639 ( -4.128 3.183 -2.270) 5.685 4.912 ( 12.538 13.790 -8.770) 20.598 5.264 ( 12.994 1.504 -0.573) 13.093 5.320 ( -3.751 5.989 4.226) 8.234 5.710 ( -9.009 0.725 4.316) 10.016 5.996 ( 6.812 -5.266 5.403) 10.165 6.083 ( -5.121 -4.864 2.095) 7.367 6.340 ( -1.140 7.452 -9.334) 11.998 6.824 ( 2.411 -1.624 10.548) 10.942 7.204 ( 0.308 -3.026 0.076) 3.042 7.457 ( 5.036 2.595 -11.869) 13.152 8.250 ( 8.148 0.127 11.388) 14.003 9.140 ( -1.954 -12.789 8.129) 15.279 9.387 ( -4.718 -2.544 -6.794) 8.654 9.671 ( 3.059 -1.492 -4.600) 5.722 10.100 ( -19.456 12.027 20.982) 31.039 10.621 ( 1.107 -4.181 0.070) 4.326 11.122 ( -2.245 11.874 -9.966) 15.664 11.360 ( -0.478 2.140 0.904) 2.372 12.561 ( -3.058 -1.978 -2.614) 4.483 12.870 ( 0.417 -5.016 -4.684) 6.876 13.151 ( -3.801 -0.788 2.781) 4.775 13.526 ( -2.621 -9.774 5.940) 11.734 14.314 ( 6.872 6.247 -15.281) 17.882 17.818 ( 4.355 4.832 0.859) 6.562 18.150 ( 9.027 -5.598 1.114) 10.680 19.435 ( 4.414 -1.102 -1.050) 4.669 19.552 ( -2.503 11.894 -2.734) 12.458 20.322 ( -1.673 -8.599 2.080) 9.004 22.839 ( 13.673 -5.842 -5.299) 15.785 23.624 ( -9.396 17.564 3.195) 20.174 24.653 ( -3.576 -7.946 -3.494) 9.388 ======================= Grid point 846 (427/432) ======================= q-point: (-0.27 -0.27 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( -29.614 -0.000 -5.654) 30.148 2.893 ( -23.059 -0.000 9.140) 24.805 3.851 ( 6.253 0.000 -18.116) 19.165 3.957 ( 7.807 0.000 -1.001) 7.871 4.622 ( 13.712 0.000 -0.182) 13.713 4.760 ( 29.887 0.000 4.473) 30.220 5.008 ( 16.030 0.000 -4.728) 16.713 5.609 ( -18.928 -0.000 15.704) 24.594 5.804 ( 8.296 0.000 -1.006) 8.357 5.850 ( -9.828 -0.000 0.370) 9.835 6.188 ( -12.812 -0.000 -13.733) 18.782 6.576 ( 1.115 0.000 11.753) 11.806 6.650 ( -4.053 -0.000 -12.933) 13.553 7.099 ( 4.915 0.000 1.802) 5.235 7.566 ( 9.730 0.000 -13.287) 16.469 7.864 ( 16.603 0.000 13.958) 21.691 8.876 ( -7.585 -0.000 -1.046) 7.657 9.627 ( -15.819 -0.000 1.246) 15.868 9.798 ( 1.613 0.000 -15.182) 15.267 10.214 ( -26.642 -0.000 36.996) 45.591 10.493 ( 10.165 0.000 -7.727) 12.769 11.265 ( 12.522 0.000 -1.572) 12.620 11.628 ( -17.985 -0.000 0.373) 17.989 12.581 ( 3.755 0.000 -1.690) 4.117 12.856 ( -3.407 -0.000 -11.544) 12.036 13.141 ( 0.064 0.000 2.107) 2.108 13.379 ( -3.389 -0.000 4.144) 5.353 14.468 ( 8.380 0.000 -13.271) 15.696 17.623 ( 5.736 0.000 25.540) 26.176 18.104 ( 7.382 0.000 -26.314) 27.330 19.472 ( -9.378 -0.000 0.152) 9.379 19.878 ( 2.218 0.000 -2.002) 2.988 20.013 ( 2.122 0.000 8.137) 8.409 22.622 ( 15.420 0.000 -8.004) 17.373 23.967 ( -5.618 -0.000 8.318) 10.038 24.535 ( 3.934 0.000 -2.469) 4.645 ======================= Grid point 847 (428/432) ======================= q-point: (-0.18 -0.27 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( -22.102 0.469 1.912) 22.189 2.791 ( -18.775 -8.797 13.302) 24.634 3.763 ( 10.869 1.865 -13.807) 17.671 4.049 ( 6.215 -3.974 -2.258) 7.714 4.677 ( -2.430 1.266 -2.667) 3.824 5.109 ( 18.366 8.950 -8.640) 22.182 5.228 ( 29.297 -3.851 -0.517) 29.554 5.439 ( -17.078 4.969 3.098) 18.055 5.748 ( -8.679 4.282 0.537) 9.692 5.863 ( -0.976 -8.709 -4.702) 9.945 6.045 ( -2.201 -0.762 13.906) 14.099 6.450 ( -0.563 4.461 -11.038) 11.919 6.790 ( 5.334 -1.829 14.307) 15.378 7.159 ( 1.397 -1.706 0.099) 2.208 7.491 ( 3.635 1.169 -13.885) 14.401 8.272 ( 16.324 1.929 17.064) 23.693 8.887 ( -0.069 -10.904 4.942) 11.972 9.423 ( -14.190 2.274 -0.780) 14.393 9.661 ( 2.562 -0.024 -11.995) 12.266 10.262 ( -23.403 6.624 31.942) 40.148 10.538 ( 7.447 -4.502 -7.414) 11.433 11.315 ( -12.517 8.461 -5.382) 16.039 11.394 ( 1.898 0.883 -0.358) 2.124 12.552 ( -2.095 1.130 -3.682) 4.384 12.755 ( -1.544 -6.778 -4.161) 8.102 13.145 ( -3.343 -0.027 1.964) 3.878 13.404 ( -2.807 -3.953 4.550) 6.649 14.385 ( 7.763 2.225 -17.406) 19.188 17.895 ( 6.440 3.883 -14.360) 16.210 18.057 ( 11.331 -4.533 17.212) 21.099 19.420 ( 3.056 -0.499 -1.477) 3.430 19.764 ( -2.940 11.075 -5.923) 12.898 20.156 ( -1.526 -9.375 5.504) 10.978 22.759 ( 16.694 -2.802 -6.569) 18.158 23.909 ( -8.758 12.907 6.013) 16.717 24.498 ( -5.115 -8.376 -7.653) 12.445 ======================= Grid point 848 (429/432) ======================= q-point: (-0.09 -0.27 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( -5.547 -5.151 13.333) 15.332 2.852 ( -12.281 -12.717 16.730) 24.340 3.791 ( 13.054 -0.108 -7.752) 15.183 4.121 ( 2.681 -5.634 -2.735) 6.812 4.504 ( -12.364 2.870 -5.758) 13.938 5.049 ( 7.656 15.493 -12.950) 21.596 5.131 ( -15.068 9.161 -2.697) 17.839 5.538 ( 10.712 -10.171 -12.563) 19.392 5.709 ( 3.132 5.576 11.363) 13.039 5.978 ( 5.193 -10.843 3.184) 12.437 6.247 ( 2.526 1.195 18.740) 18.947 6.352 ( 10.281 6.164 -7.097) 13.930 7.031 ( 6.743 2.365 12.429) 14.337 7.158 ( -4.664 -1.387 0.963) 4.960 7.342 ( -0.021 -0.739 -13.845) 13.864 8.559 ( 7.820 11.633 14.223) 19.969 9.150 ( 3.386 -16.564 11.649) 20.531 9.240 ( -6.436 0.790 -2.957) 7.127 9.634 ( 6.116 -7.796 -5.407) 11.288 10.209 ( -15.051 14.923 17.461) 27.461 10.581 ( -3.051 -5.009 2.111) 6.233 10.977 ( -15.129 4.286 -5.312) 16.598 11.409 ( 3.832 3.687 -4.540) 6.992 12.459 ( -4.946 -0.148 -3.139) 5.860 12.811 ( 1.586 -7.421 2.320) 7.935 13.101 ( -6.523 -1.450 0.801) 6.730 13.469 ( -3.573 -7.946 4.712) 9.905 14.248 ( 7.506 3.806 -19.049) 20.825 17.760 ( 5.290 1.233 -16.068) 16.961 18.463 ( 14.742 1.616 18.027) 23.343 19.506 ( -6.496 9.360 -10.169) 15.271 19.534 ( 14.383 -1.256 -2.718) 14.691 20.237 ( -5.731 -7.518 4.913) 10.654 22.938 ( 15.710 -3.621 -4.423) 16.718 23.661 ( -13.111 20.224 0.749) 24.114 24.384 ( -12.644 -13.979 -8.315) 20.602 ======================= Grid point 858 (430/432) ======================= q-point: (-0.18 -0.18 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -7.612 -0.000 12.859) 14.943 2.737 ( -11.544 -0.000 17.663) 21.101 3.793 ( 14.586 0.000 -10.872) 18.192 4.068 ( 1.785 0.000 -1.091) 2.092 4.528 ( -12.049 -0.000 -5.955) 13.440 5.212 ( -15.452 -0.000 -1.450) 15.520 5.255 ( 12.475 0.000 -9.906) 15.929 5.380 ( 4.780 0.000 -18.904) 19.499 5.811 ( 13.385 0.000 8.117) 15.654 5.826 ( -1.749 -0.000 6.487) 6.719 6.256 ( 3.191 0.000 19.253) 19.516 6.412 ( 9.715 0.000 -7.883) 12.511 7.051 ( 6.572 0.000 16.962) 18.191 7.140 ( -1.784 -0.000 -1.423) 2.282 7.336 ( -1.414 -0.000 -15.178) 15.244 8.711 ( 14.554 0.000 18.619) 23.632 8.940 ( 3.605 0.000 9.711) 10.358 9.257 ( -12.720 -0.000 1.206) 12.778 9.571 ( 5.391 0.000 -11.502) 12.703 10.374 ( -23.774 -0.000 34.597) 41.978 10.500 ( 9.327 0.000 -14.065) 16.876 11.018 ( -23.519 -0.000 -3.059) 23.717 11.451 ( 4.187 0.000 -5.517) 6.926 12.472 ( -3.576 -0.000 -4.027) 5.386 12.721 ( 0.481 0.000 4.859) 4.883 13.090 ( -6.493 -0.000 -0.757) 6.537 13.399 ( -2.864 -0.000 4.095) 4.997 14.281 ( 8.107 0.000 -19.901) 21.489 17.771 ( 6.047 0.000 -17.009) 18.052 18.474 ( 15.842 0.000 19.412) 25.056 19.514 ( 15.621 0.000 -3.079) 15.922 19.615 ( -8.363 -0.000 -14.245) 16.519 20.155 ( -5.813 -0.000 9.154) 10.844 22.902 ( 17.279 0.000 -5.408) 18.106 23.920 ( -10.550 -0.000 5.765) 12.023 24.185 ( -15.953 -0.000 -13.880) 21.146 ======================= Grid point 859 (431/432) ======================= q-point: (-0.09 -0.18 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 5.212 -3.158 18.527) 19.503 2.882 ( -4.884 -6.227 21.026) 22.466 3.884 ( 14.123 -0.354 -6.797) 15.678 4.062 ( -1.892 -2.865 -1.684) 3.824 4.270 ( -14.082 1.490 -7.164) 15.870 5.013 ( -7.983 5.379 -2.296) 9.896 5.053 ( -2.356 14.626 -15.652) 21.551 5.325 ( -0.724 -13.473 -12.279) 18.244 5.890 ( 0.569 1.566 9.564) 9.708 6.078 ( 8.653 -3.781 5.936) 11.154 6.513 ( 16.419 2.685 -3.327) 16.967 6.554 ( 11.520 1.748 15.124) 19.092 7.067 ( -4.005 2.645 -4.639) 6.675 7.158 ( -3.547 -4.151 -8.005) 9.690 7.323 ( 8.449 2.357 13.248) 15.889 8.938 ( 4.094 19.419 14.606) 24.642 9.111 ( -3.952 -3.185 2.161) 5.516 9.269 ( 2.528 -11.304 14.526) 18.579 9.578 ( 7.455 -10.863 -6.507) 14.694 10.339 ( -3.122 15.473 1.464) 15.853 10.523 ( -12.885 -5.477 15.358) 20.782 10.725 ( -16.838 -3.904 -0.888) 17.307 11.356 ( -1.568 1.877 -11.808) 12.059 12.379 ( -4.957 2.157 -2.131) 5.811 12.844 ( 1.899 -5.046 8.091) 9.723 12.978 ( -6.120 -2.332 -3.956) 7.651 13.423 ( -3.566 -3.736 4.332) 6.741 14.154 ( 7.938 2.074 -18.758) 20.474 17.681 ( 6.745 0.800 -12.452) 14.184 18.868 ( 17.660 1.946 12.300) 21.609 19.270 ( -12.334 4.055 -17.887) 22.102 19.724 ( 19.257 -1.615 -4.324) 19.803 20.218 ( -3.222 -2.540 12.667) 13.315 23.071 ( 15.782 -2.070 -4.441) 16.525 23.605 ( -20.154 21.027 -7.060) 29.969 23.957 ( -16.550 -18.062 -4.645) 24.934 ======================= Grid point 870 (432/432) ======================= q-point: (-0.09 -0.09 0.46) Boundary mean free path (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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( 7.390 0.000 17.539) 19.032 3.074 ( -0.922 -0.000 22.153) 22.172 3.975 ( 7.466 0.000 -8.298) 11.162 4.013 ( -0.056 -0.000 -1.500) 1.501 4.039 ( -6.390 -0.000 -3.674) 7.370 4.847 ( -8.024 -0.000 -15.090) 17.090 4.937 ( -2.949 -0.000 -7.550) 8.106 5.091 ( -5.929 -0.000 -9.331) 11.055 6.037 ( 3.501 0.000 10.988) 11.532 6.215 ( 2.729 0.000 8.249) 8.689 6.693 ( 12.474 0.000 -1.472) 12.561 6.860 ( 8.958 0.000 9.903) 13.354 6.992 ( 0.502 0.000 -9.545) 9.559 7.016 ( 0.830 0.000 -4.683) 4.756 7.619 ( 9.180 0.000 17.073) 19.385 9.103 ( -2.109 -0.000 6.641) 6.968 9.241 ( 0.288 0.000 6.970) 6.976 9.403 ( -3.050 -0.000 22.293) 22.501 9.508 ( 6.253 0.000 -9.688) 11.531 10.321 ( 6.512 0.000 -19.139) 20.216 10.460 ( -24.300 -0.000 14.276) 28.184 10.641 ( -5.464 -0.000 21.298) 21.987 11.166 ( -2.263 -0.000 -16.179) 16.336 12.250 ( -11.664 -0.000 -6.112) 13.169 12.873 ( 2.520 0.000 -5.545) 6.091 12.942 ( -0.127 -0.000 9.188) 9.189 13.422 ( -3.095 -0.000 6.084) 6.826 14.060 ( 6.855 0.000 -16.194) 17.585 17.667 ( 8.658 0.000 -7.902) 11.722 18.882 ( -14.616 -0.000 -20.449) 25.136 19.216 ( 18.157 0.000 6.180) 19.180 19.818 ( 1.199 0.000 -1.651) 2.040 20.471 ( 18.080 0.000 15.890) 24.070 23.162 ( -7.727 -0.000 -16.103) 17.861 23.244 ( -8.455 -0.000 -4.818) 9.732 23.704 ( -12.906 -0.000 2.822) 13.211 =================== 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 3/56628 10.0 2525.624 5736.277 3048.049 -0.000 -358.700 -0.000 3/56628 20.0 812.251 1012.609 900.263 -0.000 -16.562 -0.000 3/56628 30.0 265.913 267.659 282.796 -0.000 -4.509 -0.000 3/56628 40.0 124.051 110.811 128.463 -0.000 -2.644 -0.000 3/56628 50.0 72.805 60.758 74.290 -0.000 -1.825 -0.000 3/56628 60.0 49.163 39.393 49.808 -0.000 -1.387 -0.000 3/56628 70.0 36.304 28.361 36.670 -0.000 -1.130 -0.000 3/56628 80.0 28.472 21.884 28.733 -0.000 -0.967 -0.000 3/56628 90.0 23.303 17.722 23.516 -0.000 -0.856 -0.000 3/56628 100.0 19.682 14.867 19.869 -0.000 -0.775 -0.000 3/56628 110.0 17.027 12.805 17.198 -0.000 -0.711 -0.000 3/56628 120.0 15.009 11.256 15.166 -0.000 -0.660 -0.000 3/56628 130.0 13.429 10.054 13.575 -0.000 -0.616 -0.000 3/56628 140.0 12.162 9.095 12.298 -0.000 -0.578 -0.000 3/56628 150.0 11.124 8.313 11.251 -0.000 -0.544 -0.000 3/56628 160.0 10.260 7.663 10.378 -0.000 -0.513 -0.000 3/56628 170.0 9.529 7.115 9.639 -0.000 -0.485 -0.000 3/56628 180.0 8.903 6.645 9.005 -0.000 -0.459 -0.000 3/56628 190.0 8.361 6.238 8.455 -0.000 -0.436 -0.000 3/56628 200.0 7.886 5.881 7.973 -0.000 -0.414 -0.000 3/56628 210.0 7.467 5.566 7.547 -0.000 -0.394 -0.000 3/56628 220.0 7.095 5.285 7.167 -0.000 -0.375 -0.000 3/56628 230.0 6.760 5.033 6.827 -0.000 -0.358 -0.000 3/56628 240.0 6.459 4.806 6.519 -0.000 -0.342 -0.000 3/56628 250.0 6.186 4.599 6.240 -0.000 -0.327 -0.000 3/56628 260.0 5.936 4.411 5.985 -0.000 -0.313 -0.000 3/56628 270.0 5.708 4.238 5.751 -0.000 -0.300 -0.000 3/56628 280.0 5.498 4.079 5.536 -0.000 -0.288 -0.000 3/56628 290.0 5.304 3.932 5.338 -0.000 -0.277 -0.000 3/56628 300.0 5.124 3.796 5.154 -0.000 -0.266 -0.000 3/56628 310.0 4.956 3.670 4.982 -0.000 -0.256 -0.000 3/56628 320.0 4.800 3.552 4.823 -0.000 -0.247 -0.000 3/56628 330.0 4.654 3.441 4.673 -0.000 -0.239 -0.000 3/56628 340.0 4.517 3.338 4.533 -0.000 -0.230 -0.000 3/56628 350.0 4.388 3.240 4.401 -0.000 -0.223 -0.000 3/56628 360.0 4.267 3.149 4.277 -0.000 -0.216 -0.000 3/56628 370.0 4.153 3.063 4.160 -0.000 -0.209 -0.000 3/56628 380.0 4.044 2.981 4.050 -0.000 -0.203 -0.000 3/56628 390.0 3.942 2.904 3.945 -0.000 -0.197 -0.000 3/56628 400.0 3.844 2.830 3.846 -0.000 -0.191 -0.000 3/56628 410.0 3.752 2.761 3.752 -0.000 -0.186 -0.000 3/56628 420.0 3.664 2.695 3.662 -0.000 -0.180 -0.000 3/56628 430.0 3.580 2.632 3.576 -0.000 -0.176 -0.000 3/56628 440.0 3.500 2.572 3.495 -0.000 -0.171 -0.000 3/56628 450.0 3.423 2.514 3.417 -0.000 -0.167 -0.000 3/56628 460.0 3.350 2.459 3.343 -0.000 -0.163 -0.000 3/56628 470.0 3.280 2.407 3.272 -0.000 -0.159 -0.000 3/56628 480.0 3.213 2.357 3.204 -0.000 -0.155 -0.000 3/56628 490.0 3.148 2.309 3.138 -0.000 -0.151 -0.000 3/56628 500.0 3.086 2.262 3.076 -0.000 -0.148 -0.000 3/56628 510.0 3.027 2.218 3.015 -0.000 -0.144 -0.000 3/56628 520.0 2.970 2.175 2.958 -0.000 -0.141 -0.000 3/56628 530.0 2.915 2.134 2.902 -0.000 -0.138 -0.000 3/56628 540.0 2.862 2.095 2.848 -0.000 -0.135 -0.000 3/56628 550.0 2.811 2.057 2.797 -0.000 -0.133 -0.000 3/56628 560.0 2.761 2.020 2.747 -0.000 -0.130 -0.000 3/56628 570.0 2.714 1.985 2.699 -0.000 -0.127 -0.000 3/56628 580.0 2.668 1.951 2.653 -0.000 -0.125 -0.000 3/56628 590.0 2.623 1.918 2.608 -0.000 -0.123 -0.000 3/56628 600.0 2.580 1.886 2.564 -0.000 -0.120 -0.000 3/56628 610.0 2.539 1.855 2.523 -0.000 -0.118 -0.000 3/56628 620.0 2.498 1.825 2.482 -0.000 -0.116 -0.000 3/56628 630.0 2.459 1.796 2.443 -0.000 -0.114 -0.000 3/56628 640.0 2.422 1.768 2.405 -0.000 -0.112 -0.000 3/56628 650.0 2.385 1.741 2.368 -0.000 -0.110 -0.000 3/56628 660.0 2.349 1.715 2.332 -0.000 -0.108 -0.000 3/56628 670.0 2.315 1.689 2.298 -0.000 -0.106 -0.000 3/56628 680.0 2.281 1.665 2.264 -0.000 -0.105 -0.000 3/56628 690.0 2.249 1.641 2.231 -0.000 -0.103 -0.000 3/56628 700.0 2.217 1.617 2.199 -0.000 -0.101 -0.000 3/56628 710.0 2.186 1.595 2.169 -0.000 -0.100 -0.000 3/56628 720.0 2.156 1.572 2.139 -0.000 -0.098 -0.000 3/56628 730.0 2.127 1.551 2.109 -0.000 -0.097 -0.000 3/56628 740.0 2.099 1.530 2.081 -0.000 -0.096 -0.000 3/56628 750.0 2.071 1.510 2.053 -0.000 -0.094 -0.000 3/56628 760.0 2.045 1.490 2.027 -0.000 -0.093 -0.000 3/56628 770.0 2.018 1.471 2.000 -0.000 -0.091 -0.000 3/56628 780.0 1.993 1.452 1.975 -0.000 -0.090 -0.000 3/56628 790.0 1.968 1.434 1.950 -0.000 -0.089 -0.000 3/56628 800.0 1.944 1.416 1.926 -0.000 -0.088 -0.000 3/56628 810.0 1.920 1.398 1.902 -0.000 -0.087 -0.000 3/56628 820.0 1.897 1.381 1.879 -0.000 -0.086 -0.000 3/56628 830.0 1.874 1.365 1.856 -0.000 -0.084 -0.000 3/56628 840.0 1.852 1.348 1.834 -0.000 -0.083 -0.000 3/56628 850.0 1.831 1.333 1.813 -0.000 -0.082 -0.000 3/56628 860.0 1.810 1.317 1.792 -0.000 -0.081 -0.000 3/56628 870.0 1.789 1.302 1.771 -0.000 -0.080 -0.000 3/56628 880.0 1.769 1.287 1.751 -0.000 -0.079 -0.000 3/56628 890.0 1.749 1.273 1.732 -0.000 -0.078 -0.000 3/56628 900.0 1.730 1.259 1.712 -0.000 -0.077 -0.000 3/56628 910.0 1.711 1.245 1.694 -0.000 -0.076 -0.000 3/56628 920.0 1.693 1.232 1.675 -0.000 -0.076 -0.000 3/56628 930.0 1.675 1.218 1.657 -0.000 -0.075 -0.000 3/56628 940.0 1.657 1.205 1.640 -0.000 -0.074 -0.000 3/56628 950.0 1.640 1.193 1.623 -0.000 -0.073 -0.000 3/56628 960.0 1.623 1.180 1.606 -0.000 -0.072 -0.000 3/56628 970.0 1.606 1.168 1.589 -0.000 -0.071 -0.000 3/56628 980.0 1.590 1.156 1.573 -0.000 -0.071 -0.000 3/56628 990.0 1.574 1.145 1.557 -0.000 -0.070 -0.000 3/56628 1000.0 1.559 1.133 1.542 -0.000 -0.069 -0.000 3/56628 Thermal conductivity related properties were written into "kappa-m111113.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:58:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|