----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:06:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.734701530001598 0.000000000000000 0.000000000000000 b 0.000000000000000 3.824662580000000 0.000000000000000 c -3.571068270090772 0.000000000000000 10.423119969423251 Atomic positions (fractional): *1 S 0.48027750004836 0.75000000000000 0.11471491445366 32.065 2 S 0.51972249995164 0.25000000000000 0.88528508554634 32.065 *3 S 0.80918259525892 0.75000000000000 0.25070944621411 32.065 4 S 0.19081740474108 0.25000000000000 0.74929055378589 32.065 *5 S 0.39733040383908 0.75000000000000 0.56280381056768 32.065 6 S 0.60266959616092 0.25000000000000 0.43719618943232 32.065 *7 S 0.91756293614071 0.75000000000000 0.59981446482406 32.065 8 S 0.08243706385929 0.25000000000000 0.40018553517594 32.065 *9 S 0.74733717022942 0.75000000000000 0.77759934957989 32.065 10 S 0.25266282977058 0.25000000000000 0.22240065042011 32.065 *11 S 0.11117396975259 0.75000000000000 0.96375736487274 32.065 12 S 0.88882603024741 0.25000000000000 0.03624263512726 32.065 *13 Tm 0.68249861593357 0.75000000000000 0.00321126538969 168.934 14 Tm 0.31750138406643 0.25000000000000 0.99678873461031 168.934 *15 Tm 0.04427665110142 0.75000000000000 0.19148946474299 168.934 16 Tm 0.95572334889858 0.25000000000000 0.80851053525701 168.934 *17 Tm 0.43172633155868 0.75000000000000 0.33150235625725 168.934 18 Tm 0.56827366844132 0.25000000000000 0.66849764374275 168.934 *19 Tm 0.16024377574051 0.75000000000000 0.58257865265331 168.934 20 Tm 0.83975622425949 0.25000000000000 0.41742134734669 168.934 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.734701530001598 0.000000000000000 0.000000000000000 b 0.000000000000000 3.824662580000000 0.000000000000000 c -3.571068270090772 0.000000000000000 10.423119969423251 Atomic positions (fractional): *1 S 0.48027750004836 0.75000000000000 0.11471491445366 32.065 > 1 2 S 0.51972249995164 0.25000000000000 0.88528508554634 32.065 > 2 *3 S 0.80918259525892 0.75000000000000 0.25070944621411 32.065 > 3 4 S 0.19081740474108 0.25000000000000 0.74929055378589 32.065 > 4 *5 S 0.39733040383908 0.75000000000000 0.56280381056768 32.065 > 5 6 S 0.60266959616092 0.25000000000000 0.43719618943232 32.065 > 6 *7 S 0.91756293614071 0.75000000000000 0.59981446482406 32.065 > 7 8 S 0.08243706385929 0.25000000000000 0.40018553517594 32.065 > 8 *9 S 0.74733717022942 0.75000000000000 0.77759934957989 32.065 > 9 10 S 0.25266282977058 0.25000000000000 0.22240065042011 32.065 > 10 *11 S 0.11117396975259 0.75000000000000 0.96375736487274 32.065 > 11 12 S 0.88882603024741 0.25000000000000 0.03624263512726 32.065 > 12 *13 Tm 0.68249861593357 0.75000000000000 0.00321126538969 168.934 > 13 14 Tm 0.31750138406643 0.25000000000000 0.99678873461031 168.934 > 14 *15 Tm 0.04427665110142 0.75000000000000 0.19148946474299 168.934 > 15 16 Tm 0.95572334889858 0.25000000000000 0.80851053525701 168.934 > 16 *17 Tm 0.43172633155868 0.75000000000000 0.33150235625725 168.934 > 17 18 Tm 0.56827366844132 0.25000000000000 0.66849764374275 168.934 > 18 *19 Tm 0.16024377574051 0.75000000000000 0.58257865265331 168.934 > 19 20 Tm 0.83975622425949 0.25000000000000 0.41742134734669 168.934 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 21.469403060003195 0.000000000000000 0.000000000000000 b 0.000000000000000 11.473987740000000 0.000000000000000 c -3.571068270090772 0.000000000000000 10.423119969423251 Atomic positions (fractional): *1 S 0.24013875002418 0.25000000000000 0.11471491445366 32.065 > 1 2 S 0.74013875002418 0.25000000000000 0.11471491445366 32.065 > 1 3 S 0.24013875002418 0.58333333333333 0.11471491445366 32.065 > 1 4 S 0.74013875002418 0.58333333333333 0.11471491445366 32.065 > 1 5 S 0.24013875002418 0.91666666666667 0.11471491445366 32.065 > 1 6 S 0.74013875002418 0.91666666666667 0.11471491445366 32.065 > 1 7 S 0.25986124997582 0.08333333333333 0.88528508554634 32.065 > 2 8 S 0.75986124997582 0.08333333333333 0.88528508554634 32.065 > 2 9 S 0.25986124997582 0.41666666666667 0.88528508554634 32.065 > 2 10 S 0.75986124997582 0.41666666666667 0.88528508554634 32.065 > 2 11 S 0.25986124997582 0.75000000000000 0.88528508554634 32.065 > 2 12 S 0.75986124997582 0.75000000000000 0.88528508554634 32.065 > 2 *13 S 0.40459129762946 0.25000000000000 0.25070944621411 32.065 > 3 14 S 0.90459129762946 0.25000000000000 0.25070944621411 32.065 > 3 15 S 0.40459129762946 0.58333333333333 0.25070944621411 32.065 > 3 16 S 0.90459129762946 0.58333333333333 0.25070944621411 32.065 > 3 17 S 0.40459129762946 0.91666666666667 0.25070944621411 32.065 > 3 18 S 0.90459129762946 0.91666666666667 0.25070944621411 32.065 > 3 19 S 0.09540870237054 0.08333333333333 0.74929055378589 32.065 > 4 20 S 0.59540870237054 0.08333333333333 0.74929055378589 32.065 > 4 21 S 0.09540870237054 0.41666666666667 0.74929055378589 32.065 > 4 22 S 0.59540870237054 0.41666666666667 0.74929055378589 32.065 > 4 23 S 0.09540870237054 0.75000000000000 0.74929055378589 32.065 > 4 24 S 0.59540870237054 0.75000000000000 0.74929055378589 32.065 > 4 *25 S 0.19866520191954 0.25000000000000 0.56280381056768 32.065 > 5 26 S 0.69866520191954 0.25000000000000 0.56280381056768 32.065 > 5 27 S 0.19866520191954 0.58333333333333 0.56280381056768 32.065 > 5 28 S 0.69866520191954 0.58333333333333 0.56280381056768 32.065 > 5 29 S 0.19866520191954 0.91666666666667 0.56280381056768 32.065 > 5 30 S 0.69866520191954 0.91666666666667 0.56280381056768 32.065 > 5 31 S 0.30133479808046 0.08333333333333 0.43719618943232 32.065 > 6 32 S 0.80133479808046 0.08333333333333 0.43719618943232 32.065 > 6 33 S 0.30133479808046 0.41666666666667 0.43719618943232 32.065 > 6 34 S 0.80133479808046 0.41666666666667 0.43719618943232 32.065 > 6 35 S 0.30133479808046 0.75000000000000 0.43719618943232 32.065 > 6 36 S 0.80133479808046 0.75000000000000 0.43719618943232 32.065 > 6 *37 S 0.45878146807036 0.25000000000000 0.59981446482406 32.065 > 7 38 S 0.95878146807036 0.25000000000000 0.59981446482406 32.065 > 7 39 S 0.45878146807036 0.58333333333333 0.59981446482406 32.065 > 7 40 S 0.95878146807036 0.58333333333333 0.59981446482406 32.065 > 7 41 S 0.45878146807036 0.91666666666667 0.59981446482406 32.065 > 7 42 S 0.95878146807036 0.91666666666667 0.59981446482406 32.065 > 7 43 S 0.04121853192964 0.08333333333333 0.40018553517594 32.065 > 8 44 S 0.54121853192964 0.08333333333333 0.40018553517594 32.065 > 8 45 S 0.04121853192964 0.41666666666667 0.40018553517594 32.065 > 8 46 S 0.54121853192964 0.41666666666667 0.40018553517594 32.065 > 8 47 S 0.04121853192964 0.75000000000000 0.40018553517594 32.065 > 8 48 S 0.54121853192964 0.75000000000000 0.40018553517594 32.065 > 8 *49 S 0.37366858511471 0.25000000000000 0.77759934957989 32.065 > 9 50 S 0.87366858511471 0.25000000000000 0.77759934957989 32.065 > 9 51 S 0.37366858511471 0.58333333333333 0.77759934957989 32.065 > 9 52 S 0.87366858511471 0.58333333333333 0.77759934957989 32.065 > 9 53 S 0.37366858511471 0.91666666666667 0.77759934957989 32.065 > 9 54 S 0.87366858511471 0.91666666666667 0.77759934957989 32.065 > 9 55 S 0.12633141488529 0.08333333333333 0.22240065042011 32.065 > 10 56 S 0.62633141488529 0.08333333333333 0.22240065042011 32.065 > 10 57 S 0.12633141488529 0.41666666666667 0.22240065042011 32.065 > 10 58 S 0.62633141488529 0.41666666666667 0.22240065042011 32.065 > 10 59 S 0.12633141488529 0.75000000000000 0.22240065042011 32.065 > 10 60 S 0.62633141488529 0.75000000000000 0.22240065042011 32.065 > 10 *61 S 0.05558698487630 0.25000000000000 0.96375736487274 32.065 > 11 62 S 0.55558698487630 0.25000000000000 0.96375736487274 32.065 > 11 63 S 0.05558698487630 0.58333333333333 0.96375736487274 32.065 > 11 64 S 0.55558698487630 0.58333333333333 0.96375736487274 32.065 > 11 65 S 0.05558698487630 0.91666666666667 0.96375736487274 32.065 > 11 66 S 0.55558698487630 0.91666666666667 0.96375736487274 32.065 > 11 67 S 0.44441301512370 0.08333333333333 0.03624263512726 32.065 > 12 68 S 0.94441301512370 0.08333333333333 0.03624263512726 32.065 > 12 69 S 0.44441301512370 0.41666666666667 0.03624263512726 32.065 > 12 70 S 0.94441301512370 0.41666666666667 0.03624263512726 32.065 > 12 71 S 0.44441301512370 0.75000000000000 0.03624263512726 32.065 > 12 72 S 0.94441301512370 0.75000000000000 0.03624263512726 32.065 > 12 *73 Tm 0.34124930796679 0.25000000000000 0.00321126538969 168.934 > 13 74 Tm 0.84124930796679 0.25000000000000 0.00321126538969 168.934 > 13 75 Tm 0.34124930796679 0.58333333333333 0.00321126538969 168.934 > 13 76 Tm 0.84124930796679 0.58333333333333 0.00321126538969 168.934 > 13 77 Tm 0.34124930796679 0.91666666666667 0.00321126538969 168.934 > 13 78 Tm 0.84124930796679 0.91666666666667 0.00321126538969 168.934 > 13 79 Tm 0.15875069203321 0.08333333333333 0.99678873461031 168.934 > 14 80 Tm 0.65875069203321 0.08333333333333 0.99678873461031 168.934 > 14 81 Tm 0.15875069203321 0.41666666666667 0.99678873461031 168.934 > 14 82 Tm 0.65875069203321 0.41666666666667 0.99678873461031 168.934 > 14 83 Tm 0.15875069203321 0.75000000000000 0.99678873461031 168.934 > 14 84 Tm 0.65875069203321 0.75000000000000 0.99678873461031 168.934 > 14 *85 Tm 0.02213832555071 0.25000000000000 0.19148946474299 168.934 > 15 86 Tm 0.52213832555071 0.25000000000000 0.19148946474299 168.934 > 15 87 Tm 0.02213832555071 0.58333333333333 0.19148946474299 168.934 > 15 88 Tm 0.52213832555071 0.58333333333333 0.19148946474299 168.934 > 15 89 Tm 0.02213832555071 0.91666666666667 0.19148946474299 168.934 > 15 90 Tm 0.52213832555071 0.91666666666667 0.19148946474299 168.934 > 15 91 Tm 0.47786167444929 0.08333333333333 0.80851053525701 168.934 > 16 92 Tm 0.97786167444929 0.08333333333333 0.80851053525701 168.934 > 16 93 Tm 0.47786167444929 0.41666666666667 0.80851053525701 168.934 > 16 94 Tm 0.97786167444929 0.41666666666667 0.80851053525701 168.934 > 16 95 Tm 0.47786167444929 0.75000000000000 0.80851053525701 168.934 > 16 96 Tm 0.97786167444929 0.75000000000000 0.80851053525701 168.934 > 16 *97 Tm 0.21586316577934 0.25000000000000 0.33150235625725 168.934 > 17 98 Tm 0.71586316577934 0.25000000000000 0.33150235625725 168.934 > 17 99 Tm 0.21586316577934 0.58333333333333 0.33150235625725 168.934 > 17 100 Tm 0.71586316577934 0.58333333333333 0.33150235625725 168.934 > 17 101 Tm 0.21586316577934 0.91666666666667 0.33150235625725 168.934 > 17 102 Tm 0.71586316577934 0.91666666666667 0.33150235625725 168.934 > 17 103 Tm 0.28413683422066 0.08333333333333 0.66849764374275 168.934 > 18 104 Tm 0.78413683422066 0.08333333333333 0.66849764374275 168.934 > 18 105 Tm 0.28413683422066 0.41666666666667 0.66849764374275 168.934 > 18 106 Tm 0.78413683422066 0.41666666666667 0.66849764374275 168.934 > 18 107 Tm 0.28413683422066 0.75000000000000 0.66849764374275 168.934 > 18 108 Tm 0.78413683422066 0.75000000000000 0.66849764374275 168.934 > 18 *109 Tm 0.08012188787025 0.25000000000000 0.58257865265331 168.934 > 19 110 Tm 0.58012188787025 0.25000000000000 0.58257865265331 168.934 > 19 111 Tm 0.08012188787025 0.58333333333333 0.58257865265331 168.934 > 19 112 Tm 0.58012188787025 0.58333333333333 0.58257865265331 168.934 > 19 113 Tm 0.08012188787025 0.91666666666667 0.58257865265331 168.934 > 19 114 Tm 0.58012188787025 0.91666666666667 0.58257865265331 168.934 > 19 115 Tm 0.41987811212975 0.08333333333333 0.41742134734669 168.934 > 20 116 Tm 0.91987811212975 0.08333333333333 0.41742134734669 168.934 > 20 117 Tm 0.41987811212975 0.41666666666667 0.41742134734669 168.934 > 20 118 Tm 0.91987811212975 0.41666666666667 0.41742134734669 168.934 > 20 119 Tm 0.41987811212975 0.75000000000000 0.41742134734669 168.934 > 20 120 Tm 0.91987811212975 0.75000000000000 0.41742134734669 168.934 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.3442001 0.0000000 -0.1083508 0.0000000 7.7350814 0.0000000 -0.1083503 0.0000000 7.6261985 -------------------------- Born effective charges -------------------------- 1 S -2.5886519 0.0000000 0.4549586 0.0000000 -2.1893415 0.0000000 0.2942101 0.0000000 -2.5904682 2 S -2.5886519 0.0000000 0.4549586 0.0000000 -2.1893415 0.0000000 0.2942101 0.0000000 -2.5904682 3 S -1.8180456 0.0000000 0.1682186 0.0000000 -2.5788314 0.0000000 0.2513162 0.0000000 -3.3364636 4 S -1.8180456 0.0000000 0.1682186 0.0000000 -2.5788314 0.0000000 0.2513162 0.0000000 -3.3364636 5 S -3.2819330 0.0000000 -0.1005025 0.0000000 -2.4511114 0.0000000 -0.1148001 0.0000000 -2.5058082 6 S -3.2819330 0.0000000 -0.1005025 0.0000000 -2.4511114 0.0000000 -0.1148001 0.0000000 -2.5058082 7 S -1.8735642 0.0000000 0.2327357 0.0000000 -3.0588749 0.0000000 -0.1104333 0.0000000 -2.9970321 8 S -1.8735642 0.0000000 0.2327357 0.0000000 -3.0588749 0.0000000 -0.1104333 0.0000000 -2.9970321 9 S -2.6990095 0.0000000 -0.4557566 0.0000000 -3.1117994 0.0000000 -0.1634136 0.0000000 -2.0182568 10 S -2.6990095 0.0000000 -0.4557566 0.0000000 -3.1117994 0.0000000 -0.1634136 0.0000000 -2.0182568 11 S -2.2071840 0.0000000 -0.3465684 0.0000000 -2.9072358 0.0000000 -0.3740314 0.0000000 -2.2212370 12 S -2.2071840 0.0000000 -0.3465684 0.0000000 -2.9072358 0.0000000 -0.3740314 0.0000000 -2.2212370 13 Tm 3.8701911 0.0000000 0.1426924 0.0000000 3.5133170 0.0000000 0.5170910 0.0000000 3.7492959 14 Tm 3.8701911 0.0000000 0.1426924 0.0000000 3.5133170 0.0000000 0.5170910 0.0000000 3.7492959 15 Tm 3.5382606 0.0000000 -0.2150350 0.0000000 4.0313329 0.0000000 -0.3588179 0.0000000 3.6982597 16 Tm 3.5382606 0.0000000 -0.2150350 0.0000000 4.0313329 0.0000000 -0.3588179 0.0000000 3.6982597 17 Tm 3.1132567 0.0000000 0.3923121 0.0000000 4.3041755 0.0000000 0.1242011 0.0000000 4.6465539 18 Tm 3.1132567 0.0000000 0.3923121 0.0000000 4.3041755 0.0000000 0.1242011 0.0000000 4.6465539 19 Tm 3.9466797 0.0000000 -0.2730549 0.0000000 4.4483689 0.0000000 -0.0653221 0.0000000 3.5751565 20 Tm 3.9466797 0.0000000 -0.2730549 0.0000000 4.4483689 0.0000000 -0.0653221 0.0000000 3.5751565 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2920 Number of blocks in projector: 2920 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 283 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 400 Use standard eigh solver. Tree of FC basis block matrices: - (2920, 2871), data: False |-- (400, 400), data: True |-- (400, 400), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 781), data: False |-- (800, 17), data: (800, 36) @ (36, 17) |-- (300, 283), data: True |-- (500, 481), data: False |-- (500, 19), data: (500, 38) @ (38, 19) |-- (250, 231), data: True |-- (250, 231), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 640 - Time: 0.851 Solver_block: 200 / 640 - Time: 1.172 Solver_block: 300 / 640 - Time: 1.050 Solver_block: 400 / 640 - Time: 0.723 Solver_block: 500 / 640 - Time: 1.881 Solver_block: 600 / 640 - Time: 0.721 Solver_block: 640 / 640 - Time: 0.395 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.001 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2920 Number of blocks in projector: 2920 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 283 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 400 Use standard eigh solver. Tree of FC basis block matrices: - (2920, 2871), data: False |-- (400, 400), data: True |-- (400, 400), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 781), data: False |-- (800, 17), data: (800, 36) @ (36, 17) |-- (300, 283), data: True |-- (500, 481), data: False |-- (500, 19), data: (500, 38) @ (38, 19) |-- (250, 231), data: True |-- (250, 231), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:07:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:07:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.734701530001598 0.000000000000000 0.000000000000000 b 0.000000000000000 3.824662580000000 0.000000000000000 c -3.571068270090772 0.000000000000000 10.423119969423251 Atomic positions (fractional): 1 S 0.48027750004836 0.75000000000000 0.11471491445366 32.065 2 S 0.51972249995164 0.25000000000000 0.88528508554634 32.065 3 S 0.80918259525892 0.75000000000000 0.25070944621411 32.065 4 S 0.19081740474108 0.25000000000000 0.74929055378589 32.065 5 S 0.39733040383908 0.75000000000000 0.56280381056768 32.065 6 S 0.60266959616092 0.25000000000000 0.43719618943232 32.065 7 S 0.91756293614071 0.75000000000000 0.59981446482406 32.065 8 S 0.08243706385929 0.25000000000000 0.40018553517594 32.065 9 S 0.74733717022942 0.75000000000000 0.77759934957989 32.065 10 S 0.25266282977058 0.25000000000000 0.22240065042011 32.065 11 S 0.11117396975259 0.75000000000000 0.96375736487274 32.065 12 S 0.88882603024741 0.25000000000000 0.03624263512726 32.065 13 Tm 0.68249861593357 0.75000000000000 0.00321126538969 168.934 14 Tm 0.31750138406643 0.25000000000000 0.99678873461031 168.934 15 Tm 0.04427665110142 0.75000000000000 0.19148946474299 168.934 16 Tm 0.95572334889858 0.25000000000000 0.80851053525701 168.934 17 Tm 0.43172633155868 0.75000000000000 0.33150235625725 168.934 18 Tm 0.56827366844132 0.25000000000000 0.66849764374275 168.934 19 Tm 0.16024377574051 0.75000000000000 0.58257865265331 168.934 20 Tm 0.83975622425949 0.25000000000000 0.41742134734669 168.934 -------------------------------- supercell --------------------------------- Lattice vectors: a 21.469403060003195 0.000000000000000 0.000000000000000 b 0.000000000000000 11.473987740000000 0.000000000000000 c -3.571068270090772 0.000000000000000 10.423119969423251 Atomic positions (fractional): 1 S 0.24013875002418 0.25000000000000 0.11471491445366 32.065 > 1 2 S 0.74013875002418 0.25000000000000 0.11471491445366 32.065 > 1 3 S 0.24013875002418 0.58333333333333 0.11471491445366 32.065 > 1 4 S 0.74013875002418 0.58333333333333 0.11471491445366 32.065 > 1 5 S 0.24013875002418 0.91666666666667 0.11471491445366 32.065 > 1 6 S 0.74013875002418 0.91666666666667 0.11471491445366 32.065 > 1 7 S 0.25986124997582 0.08333333333333 0.88528508554634 32.065 > 7 8 S 0.75986124997582 0.08333333333333 0.88528508554634 32.065 > 7 9 S 0.25986124997582 0.41666666666667 0.88528508554634 32.065 > 7 10 S 0.75986124997582 0.41666666666667 0.88528508554634 32.065 > 7 11 S 0.25986124997582 0.75000000000000 0.88528508554634 32.065 > 7 12 S 0.75986124997582 0.75000000000000 0.88528508554634 32.065 > 7 13 S 0.40459129762946 0.25000000000000 0.25070944621411 32.065 > 13 14 S 0.90459129762946 0.25000000000000 0.25070944621411 32.065 > 13 15 S 0.40459129762946 0.58333333333333 0.25070944621411 32.065 > 13 16 S 0.90459129762946 0.58333333333333 0.25070944621411 32.065 > 13 17 S 0.40459129762946 0.91666666666667 0.25070944621411 32.065 > 13 18 S 0.90459129762946 0.91666666666667 0.25070944621411 32.065 > 13 19 S 0.09540870237054 0.08333333333333 0.74929055378589 32.065 > 19 20 S 0.59540870237054 0.08333333333333 0.74929055378589 32.065 > 19 21 S 0.09540870237054 0.41666666666667 0.74929055378589 32.065 > 19 22 S 0.59540870237054 0.41666666666667 0.74929055378589 32.065 > 19 23 S 0.09540870237054 0.75000000000000 0.74929055378589 32.065 > 19 24 S 0.59540870237054 0.75000000000000 0.74929055378589 32.065 > 19 25 S 0.19866520191954 0.25000000000000 0.56280381056768 32.065 > 25 26 S 0.69866520191954 0.25000000000000 0.56280381056768 32.065 > 25 27 S 0.19866520191954 0.58333333333333 0.56280381056768 32.065 > 25 28 S 0.69866520191954 0.58333333333333 0.56280381056768 32.065 > 25 29 S 0.19866520191954 0.91666666666667 0.56280381056768 32.065 > 25 30 S 0.69866520191954 0.91666666666667 0.56280381056768 32.065 > 25 31 S 0.30133479808046 0.08333333333333 0.43719618943232 32.065 > 31 32 S 0.80133479808046 0.08333333333333 0.43719618943232 32.065 > 31 33 S 0.30133479808046 0.41666666666667 0.43719618943232 32.065 > 31 34 S 0.80133479808046 0.41666666666667 0.43719618943232 32.065 > 31 35 S 0.30133479808046 0.75000000000000 0.43719618943232 32.065 > 31 36 S 0.80133479808046 0.75000000000000 0.43719618943232 32.065 > 31 37 S 0.45878146807036 0.25000000000000 0.59981446482406 32.065 > 37 38 S 0.95878146807036 0.25000000000000 0.59981446482406 32.065 > 37 39 S 0.45878146807036 0.58333333333333 0.59981446482406 32.065 > 37 40 S 0.95878146807036 0.58333333333333 0.59981446482406 32.065 > 37 41 S 0.45878146807036 0.91666666666667 0.59981446482406 32.065 > 37 42 S 0.95878146807036 0.91666666666667 0.59981446482406 32.065 > 37 43 S 0.04121853192964 0.08333333333333 0.40018553517594 32.065 > 43 44 S 0.54121853192964 0.08333333333333 0.40018553517594 32.065 > 43 45 S 0.04121853192964 0.41666666666667 0.40018553517594 32.065 > 43 46 S 0.54121853192964 0.41666666666667 0.40018553517594 32.065 > 43 47 S 0.04121853192964 0.75000000000000 0.40018553517594 32.065 > 43 48 S 0.54121853192964 0.75000000000000 0.40018553517594 32.065 > 43 49 S 0.37366858511471 0.25000000000000 0.77759934957989 32.065 > 49 50 S 0.87366858511471 0.25000000000000 0.77759934957989 32.065 > 49 51 S 0.37366858511471 0.58333333333333 0.77759934957989 32.065 > 49 52 S 0.87366858511471 0.58333333333333 0.77759934957989 32.065 > 49 53 S 0.37366858511471 0.91666666666667 0.77759934957989 32.065 > 49 54 S 0.87366858511471 0.91666666666667 0.77759934957989 32.065 > 49 55 S 0.12633141488529 0.08333333333333 0.22240065042011 32.065 > 55 56 S 0.62633141488529 0.08333333333333 0.22240065042011 32.065 > 55 57 S 0.12633141488529 0.41666666666667 0.22240065042011 32.065 > 55 58 S 0.62633141488529 0.41666666666667 0.22240065042011 32.065 > 55 59 S 0.12633141488529 0.75000000000000 0.22240065042011 32.065 > 55 60 S 0.62633141488529 0.75000000000000 0.22240065042011 32.065 > 55 61 S 0.05558698487630 0.25000000000000 0.96375736487274 32.065 > 61 62 S 0.55558698487630 0.25000000000000 0.96375736487274 32.065 > 61 63 S 0.05558698487630 0.58333333333333 0.96375736487274 32.065 > 61 64 S 0.55558698487630 0.58333333333333 0.96375736487274 32.065 > 61 65 S 0.05558698487630 0.91666666666667 0.96375736487274 32.065 > 61 66 S 0.55558698487630 0.91666666666667 0.96375736487274 32.065 > 61 67 S 0.44441301512370 0.08333333333333 0.03624263512726 32.065 > 67 68 S 0.94441301512370 0.08333333333333 0.03624263512726 32.065 > 67 69 S 0.44441301512370 0.41666666666667 0.03624263512726 32.065 > 67 70 S 0.94441301512370 0.41666666666667 0.03624263512726 32.065 > 67 71 S 0.44441301512370 0.75000000000000 0.03624263512726 32.065 > 67 72 S 0.94441301512370 0.75000000000000 0.03624263512726 32.065 > 67 73 Tm 0.34124930796679 0.25000000000000 0.00321126538969 168.934 > 73 74 Tm 0.84124930796679 0.25000000000000 0.00321126538969 168.934 > 73 75 Tm 0.34124930796679 0.58333333333333 0.00321126538969 168.934 > 73 76 Tm 0.84124930796679 0.58333333333333 0.00321126538969 168.934 > 73 77 Tm 0.34124930796679 0.91666666666667 0.00321126538969 168.934 > 73 78 Tm 0.84124930796679 0.91666666666667 0.00321126538969 168.934 > 73 79 Tm 0.15875069203321 0.08333333333333 0.99678873461031 168.934 > 79 80 Tm 0.65875069203321 0.08333333333333 0.99678873461031 168.934 > 79 81 Tm 0.15875069203321 0.41666666666667 0.99678873461031 168.934 > 79 82 Tm 0.65875069203321 0.41666666666667 0.99678873461031 168.934 > 79 83 Tm 0.15875069203321 0.75000000000000 0.99678873461031 168.934 > 79 84 Tm 0.65875069203321 0.75000000000000 0.99678873461031 168.934 > 79 85 Tm 0.02213832555071 0.25000000000000 0.19148946474299 168.934 > 85 86 Tm 0.52213832555071 0.25000000000000 0.19148946474299 168.934 > 85 87 Tm 0.02213832555071 0.58333333333333 0.19148946474299 168.934 > 85 88 Tm 0.52213832555071 0.58333333333333 0.19148946474299 168.934 > 85 89 Tm 0.02213832555071 0.91666666666667 0.19148946474299 168.934 > 85 90 Tm 0.52213832555071 0.91666666666667 0.19148946474299 168.934 > 85 91 Tm 0.47786167444929 0.08333333333333 0.80851053525701 168.934 > 91 92 Tm 0.97786167444929 0.08333333333333 0.80851053525701 168.934 > 91 93 Tm 0.47786167444929 0.41666666666667 0.80851053525701 168.934 > 91 94 Tm 0.97786167444929 0.41666666666667 0.80851053525701 168.934 > 91 95 Tm 0.47786167444929 0.75000000000000 0.80851053525701 168.934 > 91 96 Tm 0.97786167444929 0.75000000000000 0.80851053525701 168.934 > 91 97 Tm 0.21586316577934 0.25000000000000 0.33150235625725 168.934 > 97 98 Tm 0.71586316577934 0.25000000000000 0.33150235625725 168.934 > 97 99 Tm 0.21586316577934 0.58333333333333 0.33150235625725 168.934 > 97 100 Tm 0.71586316577934 0.58333333333333 0.33150235625725 168.934 > 97 101 Tm 0.21586316577934 0.91666666666667 0.33150235625725 168.934 > 97 102 Tm 0.71586316577934 0.91666666666667 0.33150235625725 168.934 > 97 103 Tm 0.28413683422066 0.08333333333333 0.66849764374275 168.934 > 103 104 Tm 0.78413683422066 0.08333333333333 0.66849764374275 168.934 > 103 105 Tm 0.28413683422066 0.41666666666667 0.66849764374275 168.934 > 103 106 Tm 0.78413683422066 0.41666666666667 0.66849764374275 168.934 > 103 107 Tm 0.28413683422066 0.75000000000000 0.66849764374275 168.934 > 103 108 Tm 0.78413683422066 0.75000000000000 0.66849764374275 168.934 > 103 109 Tm 0.08012188787025 0.25000000000000 0.58257865265331 168.934 > 109 110 Tm 0.58012188787025 0.25000000000000 0.58257865265331 168.934 > 109 111 Tm 0.08012188787025 0.58333333333333 0.58257865265331 168.934 > 109 112 Tm 0.58012188787025 0.58333333333333 0.58257865265331 168.934 > 109 113 Tm 0.08012188787025 0.91666666666667 0.58257865265331 168.934 > 109 114 Tm 0.58012188787025 0.91666666666667 0.58257865265331 168.934 > 109 115 Tm 0.41987811212975 0.08333333333333 0.41742134734669 168.934 > 115 116 Tm 0.91987811212975 0.08333333333333 0.41742134734669 168.934 > 115 117 Tm 0.41987811212975 0.41666666666667 0.41742134734669 168.934 > 115 118 Tm 0.91987811212975 0.41666666666667 0.41742134734669 168.934 > 115 119 Tm 0.41987811212975 0.75000000000000 0.41742134734669 168.934 > 115 120 Tm 0.91987811212975 0.75000000000000 0.41742134734669 168.934 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.3442001 0.0000000 -0.1083508 0.0000000 7.7350814 0.0000000 -0.1083503 0.0000000 7.6261985 -------------------------- Born effective charges -------------------------- 1 S -2.5886519 0.0000000 0.4549586 0.0000000 -2.1893415 0.0000000 0.2942101 0.0000000 -2.5904682 2 S -2.5886519 0.0000000 0.4549586 0.0000000 -2.1893415 0.0000000 0.2942101 0.0000000 -2.5904682 3 S -1.8180456 0.0000000 0.1682186 0.0000000 -2.5788314 0.0000000 0.2513162 0.0000000 -3.3364636 4 S -1.8180456 0.0000000 0.1682186 0.0000000 -2.5788314 0.0000000 0.2513162 0.0000000 -3.3364636 5 S -3.2819330 0.0000000 -0.1005025 0.0000000 -2.4511114 0.0000000 -0.1148001 0.0000000 -2.5058082 6 S -3.2819330 0.0000000 -0.1005025 0.0000000 -2.4511114 0.0000000 -0.1148001 0.0000000 -2.5058082 7 S -1.8735642 0.0000000 0.2327357 0.0000000 -3.0588749 0.0000000 -0.1104333 0.0000000 -2.9970321 8 S -1.8735642 0.0000000 0.2327357 0.0000000 -3.0588749 0.0000000 -0.1104333 0.0000000 -2.9970321 9 S -2.6990095 0.0000000 -0.4557566 0.0000000 -3.1117994 0.0000000 -0.1634136 0.0000000 -2.0182568 10 S -2.6990095 0.0000000 -0.4557566 0.0000000 -3.1117994 0.0000000 -0.1634136 0.0000000 -2.0182568 11 S -2.2071840 0.0000000 -0.3465684 0.0000000 -2.9072358 0.0000000 -0.3740314 0.0000000 -2.2212370 12 S -2.2071840 0.0000000 -0.3465684 0.0000000 -2.9072358 0.0000000 -0.3740314 0.0000000 -2.2212370 13 Tm 3.8701911 0.0000000 0.1426924 0.0000000 3.5133170 0.0000000 0.5170910 0.0000000 3.7492959 14 Tm 3.8701911 0.0000000 0.1426924 0.0000000 3.5133170 0.0000000 0.5170910 0.0000000 3.7492959 15 Tm 3.5382606 0.0000000 -0.2150350 0.0000000 4.0313329 0.0000000 -0.3588179 0.0000000 3.6982597 16 Tm 3.5382606 0.0000000 -0.2150350 0.0000000 4.0313329 0.0000000 -0.3588179 0.0000000 3.6982597 17 Tm 3.1132567 0.0000000 0.3923121 0.0000000 4.3041755 0.0000000 0.1242011 0.0000000 4.6465539 18 Tm 3.1132567 0.0000000 0.3923121 0.0000000 4.3041755 0.0000000 0.1242011 0.0000000 4.6465539 19 Tm 3.9466797 0.0000000 -0.2730549 0.0000000 4.4483689 0.0000000 -0.0653221 0.0000000 3.5751565 20 Tm 3.9466797 0.0000000 -0.2730549 0.0000000 4.4483689 0.0000000 -0.0653221 0.0000000 3.5751565 ---------------------------------------------------------------------------- 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 85, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 109, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (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 19:07:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:08:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.734701530001598 0.000000000000000 0.000000000000000 b 0.000000000000000 3.824662580000000 0.000000000000000 c -3.571068270090772 0.000000000000000 10.423119969423251 Atomic positions (fractional): 1 S 0.48027750004836 0.75000000000000 0.11471491445366 32.065 2 S 0.51972249995164 0.25000000000000 0.88528508554634 32.065 3 S 0.80918259525892 0.75000000000000 0.25070944621411 32.065 4 S 0.19081740474108 0.25000000000000 0.74929055378589 32.065 5 S 0.39733040383908 0.75000000000000 0.56280381056768 32.065 6 S 0.60266959616092 0.25000000000000 0.43719618943232 32.065 7 S 0.91756293614071 0.75000000000000 0.59981446482406 32.065 8 S 0.08243706385929 0.25000000000000 0.40018553517594 32.065 9 S 0.74733717022942 0.75000000000000 0.77759934957989 32.065 10 S 0.25266282977058 0.25000000000000 0.22240065042011 32.065 11 S 0.11117396975259 0.75000000000000 0.96375736487274 32.065 12 S 0.88882603024741 0.25000000000000 0.03624263512726 32.065 13 Tm 0.68249861593357 0.75000000000000 0.00321126538969 168.934 14 Tm 0.31750138406643 0.25000000000000 0.99678873461031 168.934 15 Tm 0.04427665110142 0.75000000000000 0.19148946474299 168.934 16 Tm 0.95572334889858 0.25000000000000 0.80851053525701 168.934 17 Tm 0.43172633155868 0.75000000000000 0.33150235625725 168.934 18 Tm 0.56827366844132 0.25000000000000 0.66849764374275 168.934 19 Tm 0.16024377574051 0.75000000000000 0.58257865265331 168.934 20 Tm 0.83975622425949 0.25000000000000 0.41742134734669 168.934 -------------------------------- supercell --------------------------------- Lattice vectors: a 21.469403060003195 0.000000000000000 0.000000000000000 b 0.000000000000000 11.473987740000000 0.000000000000000 c -3.571068270090772 0.000000000000000 10.423119969423251 Atomic positions (fractional): 1 S 0.24013875002418 0.25000000000000 0.11471491445366 32.065 > 1 2 S 0.74013875002418 0.25000000000000 0.11471491445366 32.065 > 1 3 S 0.24013875002418 0.58333333333333 0.11471491445366 32.065 > 1 4 S 0.74013875002418 0.58333333333333 0.11471491445366 32.065 > 1 5 S 0.24013875002418 0.91666666666667 0.11471491445366 32.065 > 1 6 S 0.74013875002418 0.91666666666667 0.11471491445366 32.065 > 1 7 S 0.25986124997582 0.08333333333333 0.88528508554634 32.065 > 7 8 S 0.75986124997582 0.08333333333333 0.88528508554634 32.065 > 7 9 S 0.25986124997582 0.41666666666667 0.88528508554634 32.065 > 7 10 S 0.75986124997582 0.41666666666667 0.88528508554634 32.065 > 7 11 S 0.25986124997582 0.75000000000000 0.88528508554634 32.065 > 7 12 S 0.75986124997582 0.75000000000000 0.88528508554634 32.065 > 7 13 S 0.40459129762946 0.25000000000000 0.25070944621411 32.065 > 13 14 S 0.90459129762946 0.25000000000000 0.25070944621411 32.065 > 13 15 S 0.40459129762946 0.58333333333333 0.25070944621411 32.065 > 13 16 S 0.90459129762946 0.58333333333333 0.25070944621411 32.065 > 13 17 S 0.40459129762946 0.91666666666667 0.25070944621411 32.065 > 13 18 S 0.90459129762946 0.91666666666667 0.25070944621411 32.065 > 13 19 S 0.09540870237054 0.08333333333333 0.74929055378589 32.065 > 19 20 S 0.59540870237054 0.08333333333333 0.74929055378589 32.065 > 19 21 S 0.09540870237054 0.41666666666667 0.74929055378589 32.065 > 19 22 S 0.59540870237054 0.41666666666667 0.74929055378589 32.065 > 19 23 S 0.09540870237054 0.75000000000000 0.74929055378589 32.065 > 19 24 S 0.59540870237054 0.75000000000000 0.74929055378589 32.065 > 19 25 S 0.19866520191954 0.25000000000000 0.56280381056768 32.065 > 25 26 S 0.69866520191954 0.25000000000000 0.56280381056768 32.065 > 25 27 S 0.19866520191954 0.58333333333333 0.56280381056768 32.065 > 25 28 S 0.69866520191954 0.58333333333333 0.56280381056768 32.065 > 25 29 S 0.19866520191954 0.91666666666667 0.56280381056768 32.065 > 25 30 S 0.69866520191954 0.91666666666667 0.56280381056768 32.065 > 25 31 S 0.30133479808046 0.08333333333333 0.43719618943232 32.065 > 31 32 S 0.80133479808046 0.08333333333333 0.43719618943232 32.065 > 31 33 S 0.30133479808046 0.41666666666667 0.43719618943232 32.065 > 31 34 S 0.80133479808046 0.41666666666667 0.43719618943232 32.065 > 31 35 S 0.30133479808046 0.75000000000000 0.43719618943232 32.065 > 31 36 S 0.80133479808046 0.75000000000000 0.43719618943232 32.065 > 31 37 S 0.45878146807036 0.25000000000000 0.59981446482406 32.065 > 37 38 S 0.95878146807036 0.25000000000000 0.59981446482406 32.065 > 37 39 S 0.45878146807036 0.58333333333333 0.59981446482406 32.065 > 37 40 S 0.95878146807036 0.58333333333333 0.59981446482406 32.065 > 37 41 S 0.45878146807036 0.91666666666667 0.59981446482406 32.065 > 37 42 S 0.95878146807036 0.91666666666667 0.59981446482406 32.065 > 37 43 S 0.04121853192964 0.08333333333333 0.40018553517594 32.065 > 43 44 S 0.54121853192964 0.08333333333333 0.40018553517594 32.065 > 43 45 S 0.04121853192964 0.41666666666667 0.40018553517594 32.065 > 43 46 S 0.54121853192964 0.41666666666667 0.40018553517594 32.065 > 43 47 S 0.04121853192964 0.75000000000000 0.40018553517594 32.065 > 43 48 S 0.54121853192964 0.75000000000000 0.40018553517594 32.065 > 43 49 S 0.37366858511471 0.25000000000000 0.77759934957989 32.065 > 49 50 S 0.87366858511471 0.25000000000000 0.77759934957989 32.065 > 49 51 S 0.37366858511471 0.58333333333333 0.77759934957989 32.065 > 49 52 S 0.87366858511471 0.58333333333333 0.77759934957989 32.065 > 49 53 S 0.37366858511471 0.91666666666667 0.77759934957989 32.065 > 49 54 S 0.87366858511471 0.91666666666667 0.77759934957989 32.065 > 49 55 S 0.12633141488529 0.08333333333333 0.22240065042011 32.065 > 55 56 S 0.62633141488529 0.08333333333333 0.22240065042011 32.065 > 55 57 S 0.12633141488529 0.41666666666667 0.22240065042011 32.065 > 55 58 S 0.62633141488529 0.41666666666667 0.22240065042011 32.065 > 55 59 S 0.12633141488529 0.75000000000000 0.22240065042011 32.065 > 55 60 S 0.62633141488529 0.75000000000000 0.22240065042011 32.065 > 55 61 S 0.05558698487630 0.25000000000000 0.96375736487274 32.065 > 61 62 S 0.55558698487630 0.25000000000000 0.96375736487274 32.065 > 61 63 S 0.05558698487630 0.58333333333333 0.96375736487274 32.065 > 61 64 S 0.55558698487630 0.58333333333333 0.96375736487274 32.065 > 61 65 S 0.05558698487630 0.91666666666667 0.96375736487274 32.065 > 61 66 S 0.55558698487630 0.91666666666667 0.96375736487274 32.065 > 61 67 S 0.44441301512370 0.08333333333333 0.03624263512726 32.065 > 67 68 S 0.94441301512370 0.08333333333333 0.03624263512726 32.065 > 67 69 S 0.44441301512370 0.41666666666667 0.03624263512726 32.065 > 67 70 S 0.94441301512370 0.41666666666667 0.03624263512726 32.065 > 67 71 S 0.44441301512370 0.75000000000000 0.03624263512726 32.065 > 67 72 S 0.94441301512370 0.75000000000000 0.03624263512726 32.065 > 67 73 Tm 0.34124930796679 0.25000000000000 0.00321126538969 168.934 > 73 74 Tm 0.84124930796679 0.25000000000000 0.00321126538969 168.934 > 73 75 Tm 0.34124930796679 0.58333333333333 0.00321126538969 168.934 > 73 76 Tm 0.84124930796679 0.58333333333333 0.00321126538969 168.934 > 73 77 Tm 0.34124930796679 0.91666666666667 0.00321126538969 168.934 > 73 78 Tm 0.84124930796679 0.91666666666667 0.00321126538969 168.934 > 73 79 Tm 0.15875069203321 0.08333333333333 0.99678873461031 168.934 > 79 80 Tm 0.65875069203321 0.08333333333333 0.99678873461031 168.934 > 79 81 Tm 0.15875069203321 0.41666666666667 0.99678873461031 168.934 > 79 82 Tm 0.65875069203321 0.41666666666667 0.99678873461031 168.934 > 79 83 Tm 0.15875069203321 0.75000000000000 0.99678873461031 168.934 > 79 84 Tm 0.65875069203321 0.75000000000000 0.99678873461031 168.934 > 79 85 Tm 0.02213832555071 0.25000000000000 0.19148946474299 168.934 > 85 86 Tm 0.52213832555071 0.25000000000000 0.19148946474299 168.934 > 85 87 Tm 0.02213832555071 0.58333333333333 0.19148946474299 168.934 > 85 88 Tm 0.52213832555071 0.58333333333333 0.19148946474299 168.934 > 85 89 Tm 0.02213832555071 0.91666666666667 0.19148946474299 168.934 > 85 90 Tm 0.52213832555071 0.91666666666667 0.19148946474299 168.934 > 85 91 Tm 0.47786167444929 0.08333333333333 0.80851053525701 168.934 > 91 92 Tm 0.97786167444929 0.08333333333333 0.80851053525701 168.934 > 91 93 Tm 0.47786167444929 0.41666666666667 0.80851053525701 168.934 > 91 94 Tm 0.97786167444929 0.41666666666667 0.80851053525701 168.934 > 91 95 Tm 0.47786167444929 0.75000000000000 0.80851053525701 168.934 > 91 96 Tm 0.97786167444929 0.75000000000000 0.80851053525701 168.934 > 91 97 Tm 0.21586316577934 0.25000000000000 0.33150235625725 168.934 > 97 98 Tm 0.71586316577934 0.25000000000000 0.33150235625725 168.934 > 97 99 Tm 0.21586316577934 0.58333333333333 0.33150235625725 168.934 > 97 100 Tm 0.71586316577934 0.58333333333333 0.33150235625725 168.934 > 97 101 Tm 0.21586316577934 0.91666666666667 0.33150235625725 168.934 > 97 102 Tm 0.71586316577934 0.91666666666667 0.33150235625725 168.934 > 97 103 Tm 0.28413683422066 0.08333333333333 0.66849764374275 168.934 > 103 104 Tm 0.78413683422066 0.08333333333333 0.66849764374275 168.934 > 103 105 Tm 0.28413683422066 0.41666666666667 0.66849764374275 168.934 > 103 106 Tm 0.78413683422066 0.41666666666667 0.66849764374275 168.934 > 103 107 Tm 0.28413683422066 0.75000000000000 0.66849764374275 168.934 > 103 108 Tm 0.78413683422066 0.75000000000000 0.66849764374275 168.934 > 103 109 Tm 0.08012188787025 0.25000000000000 0.58257865265331 168.934 > 109 110 Tm 0.58012188787025 0.25000000000000 0.58257865265331 168.934 > 109 111 Tm 0.08012188787025 0.58333333333333 0.58257865265331 168.934 > 109 112 Tm 0.58012188787025 0.58333333333333 0.58257865265331 168.934 > 109 113 Tm 0.08012188787025 0.91666666666667 0.58257865265331 168.934 > 109 114 Tm 0.58012188787025 0.91666666666667 0.58257865265331 168.934 > 109 115 Tm 0.41987811212975 0.08333333333333 0.41742134734669 168.934 > 115 116 Tm 0.91987811212975 0.08333333333333 0.41742134734669 168.934 > 115 117 Tm 0.41987811212975 0.41666666666667 0.41742134734669 168.934 > 115 118 Tm 0.91987811212975 0.41666666666667 0.41742134734669 168.934 > 115 119 Tm 0.41987811212975 0.75000000000000 0.41742134734669 168.934 > 115 120 Tm 0.91987811212975 0.75000000000000 0.41742134734669 168.934 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.3442001 0.0000000 -0.1083508 0.0000000 7.7350814 0.0000000 -0.1083503 0.0000000 7.6261985 -------------------------- Born effective charges -------------------------- 1 S -2.5886519 0.0000000 0.4549586 0.0000000 -2.1893415 0.0000000 0.2942101 0.0000000 -2.5904682 2 S -2.5886519 0.0000000 0.4549586 0.0000000 -2.1893415 0.0000000 0.2942101 0.0000000 -2.5904682 3 S -1.8180456 0.0000000 0.1682186 0.0000000 -2.5788314 0.0000000 0.2513162 0.0000000 -3.3364636 4 S -1.8180456 0.0000000 0.1682186 0.0000000 -2.5788314 0.0000000 0.2513162 0.0000000 -3.3364636 5 S -3.2819330 0.0000000 -0.1005025 0.0000000 -2.4511114 0.0000000 -0.1148001 0.0000000 -2.5058082 6 S -3.2819330 0.0000000 -0.1005025 0.0000000 -2.4511114 0.0000000 -0.1148001 0.0000000 -2.5058082 7 S -1.8735642 0.0000000 0.2327357 0.0000000 -3.0588749 0.0000000 -0.1104333 0.0000000 -2.9970321 8 S -1.8735642 0.0000000 0.2327357 0.0000000 -3.0588749 0.0000000 -0.1104333 0.0000000 -2.9970321 9 S -2.6990095 0.0000000 -0.4557566 0.0000000 -3.1117994 0.0000000 -0.1634136 0.0000000 -2.0182568 10 S -2.6990095 0.0000000 -0.4557566 0.0000000 -3.1117994 0.0000000 -0.1634136 0.0000000 -2.0182568 11 S -2.2071840 0.0000000 -0.3465684 0.0000000 -2.9072358 0.0000000 -0.3740314 0.0000000 -2.2212370 12 S -2.2071840 0.0000000 -0.3465684 0.0000000 -2.9072358 0.0000000 -0.3740314 0.0000000 -2.2212370 13 Tm 3.8701911 0.0000000 0.1426924 0.0000000 3.5133170 0.0000000 0.5170910 0.0000000 3.7492959 14 Tm 3.8701911 0.0000000 0.1426924 0.0000000 3.5133170 0.0000000 0.5170910 0.0000000 3.7492959 15 Tm 3.5382606 0.0000000 -0.2150350 0.0000000 4.0313329 0.0000000 -0.3588179 0.0000000 3.6982597 16 Tm 3.5382606 0.0000000 -0.2150350 0.0000000 4.0313329 0.0000000 -0.3588179 0.0000000 3.6982597 17 Tm 3.1132567 0.0000000 0.3923121 0.0000000 4.3041755 0.0000000 0.1242011 0.0000000 4.6465539 18 Tm 3.1132567 0.0000000 0.3923121 0.0000000 4.3041755 0.0000000 0.1242011 0.0000000 4.6465539 19 Tm 3.9466797 0.0000000 -0.2730549 0.0000000 4.4483689 0.0000000 -0.0653221 0.0000000 3.5751565 20 Tm 3.9466797 0.0000000 -0.2730549 0.0000000 4.4483689 0.0000000 -0.0653221 0.0000000 3.5751565 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 13 5 ] 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: 0.55, Number of G-points: 293, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/91) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.024 ( 0.000 0.000 0.000) 0.000 1.715 ( 0.000 0.000 0.000) 0.000 1.724 ( 0.000 0.000 0.000) 0.000 1.786 ( 0.000 0.000 0.000) 0.000 1.854 ( 0.000 0.000 0.000) 0.000 1.953 ( 0.000 0.000 0.000) 0.000 2.039 ( 0.000 0.000 0.000) 0.000 2.049 ( 0.000 0.000 0.000) 0.000 2.057 ( 0.000 0.000 0.000) 0.000 2.081 ( 0.000 0.000 0.000) 0.000 2.217 ( 0.000 0.000 0.000) 0.000 2.372 ( 0.000 0.000 0.000) 0.000 2.820 ( 0.000 0.000 0.000) 0.000 2.914 ( 0.000 0.000 0.000) 0.000 3.381 ( 0.000 0.000 0.000) 0.000 3.414 ( 0.000 0.000 0.000) 0.000 3.459 ( 0.000 0.000 0.000) 0.000 3.700 ( 0.000 0.000 0.000) 0.000 3.780 ( 0.000 0.000 0.000) 0.000 3.986 ( 0.000 0.000 0.000) 0.000 4.555 ( 0.000 0.000 0.000) 0.000 5.276 ( 0.000 0.000 0.000) 0.000 5.453 ( 0.000 0.000 0.000) 0.000 5.533 ( 0.000 0.000 0.000) 0.000 5.687 ( 0.000 0.000 0.000) 0.000 5.739 ( 0.000 0.000 0.000) 0.000 6.074 ( 0.000 0.000 0.000) 0.000 6.148 ( 0.000 0.000 0.000) 0.000 6.201 ( 0.000 0.000 0.000) 0.000 6.213 ( 0.000 0.000 0.000) 0.000 6.447 ( 0.000 0.000 0.000) 0.000 6.467 ( 0.000 0.000 0.000) 0.000 6.701 ( 0.000 0.000 0.000) 0.000 6.702 ( 0.000 0.000 0.000) 0.000 6.717 ( 0.000 0.000 0.000) 0.000 6.873 ( 0.000 0.000 0.000) 0.000 6.977 ( 0.000 0.000 0.000) 0.000 7.019 ( 0.000 0.000 0.000) 0.000 7.032 ( 0.000 0.000 0.000) 0.000 7.133 ( 0.000 0.000 0.000) 0.000 7.257 ( 0.000 0.000 0.000) 0.000 7.360 ( 0.000 0.000 0.000) 0.000 7.451 ( 0.000 0.000 0.000) 0.000 7.526 ( 0.000 0.000 0.000) 0.000 7.596 ( 0.000 0.000 0.000) 0.000 7.832 ( 0.000 0.000 0.000) 0.000 7.884 ( 0.000 0.000 0.000) 0.000 8.040 ( 0.000 0.000 0.000) 0.000 8.556 ( 0.000 0.000 0.000) 0.000 8.665 ( 0.000 0.000 0.000) 0.000 9.087 ( 0.000 0.000 0.000) 0.000 9.098 ( 0.000 0.000 0.000) 0.000 9.430 ( 0.000 0.000 0.000) 0.000 9.458 ( 0.000 0.000 0.000) 0.000 10.234 ( 0.000 0.000 0.000) 0.000 10.408 ( 0.000 0.000 0.000) 0.000 10.719 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/91) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( 15.094 0.000 9.583) 17.878 0.449 ( 20.724 0.000 8.435) 22.375 0.884 ( 41.566 0.000 13.549) 43.719 1.020 ( -0.044 0.000 -1.613) 1.614 1.623 ( -7.468 0.000 -13.071) 15.054 1.656 ( -3.467 0.000 -6.326) 7.214 1.701 ( -7.477 0.000 -8.525) 11.339 1.704 ( -2.701 0.000 3.556) 4.465 1.984 ( 2.130 0.000 2.216) 3.074 2.041 ( 0.438 0.000 -0.031) 0.439 2.079 ( 2.303 0.000 0.195) 2.311 2.126 ( 3.772 0.000 8.592) 9.383 2.198 ( -1.609 0.000 -0.853) 1.821 2.218 ( -9.504 0.000 11.690) 15.066 2.369 ( 5.257 0.000 3.841) 6.510 2.621 ( -5.320 0.000 -3.715) 6.489 2.945 ( -5.598 0.000 -12.223) 13.444 3.158 ( -12.488 0.000 -11.710) 17.120 3.461 ( 1.726 0.000 7.779) 7.968 3.537 ( 3.676 0.000 2.849) 4.651 3.798 ( 7.193 0.000 0.908) 7.251 3.870 ( 4.902 0.000 3.914) 6.273 4.004 ( 0.363 0.000 3.216) 3.236 4.515 ( -3.247 0.000 -4.276) 5.369 5.276 ( 0.023 0.000 1.425) 1.426 5.502 ( -0.138 0.000 -11.131) 11.132 5.528 ( -0.500 0.000 0.158) 0.524 5.761 ( 1.844 0.000 1.542) 2.403 5.959 ( -2.780 0.000 10.385) 10.750 6.023 ( -2.928 0.000 -4.151) 5.080 6.123 ( -0.795 0.000 -2.751) 2.863 6.180 ( -1.469 0.000 -2.696) 3.070 6.260 ( 2.930 0.000 2.558) 3.889 6.473 ( -0.320 0.000 2.617) 2.637 6.650 ( -2.140 0.000 -3.264) 3.903 6.693 ( -1.956 0.000 4.330) 4.751 6.763 ( 2.757 0.000 -0.291) 2.772 6.779 ( -4.930 0.000 6.928) 8.504 6.872 ( -0.636 0.000 1.485) 1.615 7.013 ( -0.409 0.000 -0.705) 0.815 7.109 ( 3.222 0.000 3.686) 4.896 7.127 ( -1.642 0.000 4.868) 5.137 7.221 ( 5.114 0.000 -4.800) 7.014 7.363 ( 0.181 0.000 0.330) 0.376 7.448 ( -0.129 0.000 -0.301) 0.328 7.506 ( -5.729 0.000 -2.873) 6.410 7.528 ( 0.145 0.000 0.024) 0.147 7.819 ( 2.088 0.000 -5.578) 5.956 7.875 ( -0.664 0.000 -0.418) 0.784 8.085 ( 4.085 0.000 5.176) 6.594 8.382 ( 1.350 0.000 4.026) 4.246 8.590 ( -6.960 0.000 -0.737) 6.999 8.710 ( -0.102 0.000 3.331) 3.333 9.093 ( -0.079 0.000 -2.621) 2.622 9.164 ( -0.870 0.000 9.097) 9.138 9.429 ( 0.654 0.000 -2.346) 2.436 9.848 ( 9.084 0.000 -27.091) 28.573 10.238 ( 0.162 0.000 0.465) 0.492 10.539 ( -6.631 0.000 19.736) 20.820 10.708 ( -1.156 0.000 0.431) 1.234 ======================= Grid point 2 (3/91) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 7.623 0.000 5.317) 9.294 0.863 ( 16.535 0.000 8.627) 18.650 0.998 ( -0.783 0.000 -2.025) 2.171 1.325 ( -12.869 0.000 -11.155) 17.031 1.554 ( -3.015 0.000 -2.376) 3.839 1.602 ( 16.403 0.000 -1.676) 16.488 1.681 ( -0.956 0.000 0.648) 1.155 1.775 ( 27.063 0.000 9.920) 28.824 1.926 ( -16.646 0.000 2.151) 16.784 2.026 ( 0.612 0.000 0.524) 0.806 2.069 ( 1.909 0.000 2.323) 3.006 2.115 ( 1.785 0.000 -1.562) 2.372 2.151 ( -2.715 0.000 -0.537) 2.767 2.219 ( 1.046 0.000 3.228) 3.393 2.420 ( -20.166 0.000 -5.111) 20.804 2.570 ( -2.661 0.000 -2.472) 3.632 2.696 ( 2.187 0.000 12.043) 12.240 2.906 ( -5.753 0.000 -18.889) 19.746 3.539 ( 1.336 0.000 5.156) 5.326 3.614 ( 2.239 0.000 -0.689) 2.343 3.892 ( 2.702 0.000 -0.728) 2.799 3.929 ( 0.840 0.000 -1.618) 1.822 4.137 ( 7.310 0.000 13.188) 15.079 4.370 ( -7.324 0.000 -9.219) 11.774 5.314 ( 2.320 0.000 3.965) 4.594 5.405 ( -3.425 0.000 -6.627) 7.460 5.520 ( -0.300 0.000 0.081) 0.311 5.820 ( 2.559 0.000 2.410) 3.515 5.938 ( -2.954 0.000 -3.483) 4.567 5.968 ( -0.877 0.000 2.934) 3.063 6.109 ( 1.023 0.000 -2.044) 2.285 6.132 ( -2.051 0.000 -0.221) 2.063 6.323 ( 1.930 0.000 0.874) 2.119 6.484 ( -0.466 0.000 2.942) 2.978 6.596 ( -1.069 0.000 -2.929) 3.118 6.694 ( -0.640 0.000 3.312) 3.373 6.736 ( -1.522 0.000 -0.798) 1.719 6.807 ( 2.041 0.000 -0.953) 2.253 6.865 ( -1.096 0.000 1.570) 1.915 7.001 ( -0.277 0.000 -0.544) 0.611 7.104 ( -1.257 0.000 1.261) 1.780 7.172 ( 1.301 0.000 0.360) 1.350 7.307 ( 2.452 0.000 1.759) 3.018 7.369 ( 0.124 0.000 0.229) 0.261 7.420 ( -1.262 0.000 -0.840) 1.516 7.444 ( -0.092 0.000 -0.211) 0.230 7.531 ( 0.092 0.000 0.015) 0.093 7.817 ( -0.237 0.000 -3.685) 3.693 7.833 ( -1.064 0.000 0.345) 1.119 8.235 ( 7.830 0.000 3.901) 8.748 8.419 ( -3.314 0.000 -1.356) 3.580 8.435 ( -4.008 0.000 -0.646) 4.060 8.730 ( 0.514 0.000 0.908) 1.043 9.071 ( -0.688 0.000 -0.650) 0.946 9.201 ( 0.047 0.000 3.342) 3.343 9.426 ( 0.410 0.000 -1.565) 1.618 9.845 ( 2.032 0.000 -6.189) 6.514 10.243 ( 0.109 0.000 0.288) 0.308 10.542 ( -1.428 0.000 4.613) 4.829 10.690 ( -0.791 0.000 0.260) 0.832 ======================= Grid point 5 (4/91) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.364 ( 0.000 19.192 0.000) 19.192 0.444 ( 0.000 22.333 0.000) 22.333 0.879 ( 0.000 42.929 0.000) 42.929 1.243 ( 0.000 19.183 0.000) 19.183 1.742 ( 0.000 1.615 0.000) 1.615 1.776 ( 0.000 1.179 0.000) 1.179 1.847 ( 0.000 6.219 0.000) 6.219 1.851 ( 0.000 4.448 0.000) 4.448 2.054 ( 0.000 4.685 0.000) 4.685 2.072 ( 0.000 3.436 0.000) 3.436 2.120 ( 0.000 10.106 0.000) 10.106 2.137 ( 0.000 5.200 0.000) 5.200 2.239 ( 0.000 16.836 0.000) 16.836 2.297 ( 0.000 7.835 0.000) 7.835 2.371 ( 0.000 -0.028 0.000) 0.028 2.805 ( 0.000 -1.398 0.000) 1.398 2.909 ( 0.000 -0.484 0.000) 0.484 3.355 ( 0.000 -2.514 0.000) 2.514 3.413 ( 0.000 -0.017 0.000) 0.017 3.463 ( 0.000 0.470 0.000) 0.470 3.680 ( 0.000 -1.852 0.000) 1.852 3.784 ( 0.000 0.486 0.000) 0.486 3.964 ( 0.000 -2.007 0.000) 2.007 4.502 ( 0.000 -5.131 0.000) 5.131 5.268 ( 0.000 -0.582 0.000) 0.582 5.408 ( 0.000 -3.629 0.000) 3.629 5.699 ( 0.000 1.216 0.000) 1.216 5.719 ( 0.000 11.708 0.000) 11.708 6.075 ( 0.000 -3.901 0.000) 3.901 6.105 ( 0.000 0.688 0.000) 0.688 6.219 ( 0.000 3.136 0.000) 3.136 6.295 ( 0.000 5.105 0.000) 5.105 6.457 ( 0.000 1.809 0.000) 1.809 6.544 ( 0.000 6.028 0.000) 6.028 6.643 ( 0.000 -1.551 0.000) 1.551 6.715 ( 0.000 1.279 0.000) 1.279 6.722 ( 0.000 0.487 0.000) 0.487 6.909 ( 0.000 3.667 0.000) 3.667 6.971 ( 0.000 -2.164 0.000) 2.164 7.002 ( 0.000 1.148 0.000) 1.148 7.022 ( 0.000 -0.761 0.000) 0.761 7.123 ( 0.000 -0.186 0.000) 0.186 7.315 ( 0.000 5.118 0.000) 5.118 7.378 ( 0.000 1.468 0.000) 1.468 7.391 ( 0.000 2.625 0.000) 2.625 7.552 ( 0.000 2.773 0.000) 2.773 7.649 ( 0.000 5.178 0.000) 5.178 7.839 ( 0.000 0.719 0.000) 0.719 7.941 ( 0.000 5.473 0.000) 5.473 8.015 ( 0.000 -2.341 0.000) 2.341 8.562 ( 0.000 -0.813 0.000) 0.813 8.672 ( 0.000 1.958 0.000) 1.958 9.053 ( 0.000 -3.281 0.000) 3.281 9.057 ( 0.000 -2.602 0.000) 2.602 9.084 ( 0.000 -1.127 0.000) 1.127 9.415 ( 0.000 -1.459 0.000) 1.459 9.426 ( 0.000 -2.990 0.000) 2.990 10.196 ( 0.000 -3.682 0.000) 3.682 10.375 ( 0.000 -3.250 0.000) 3.250 10.661 ( 0.000 -5.569 0.000) 5.569 ======================= Grid point 6 (5/91) ======================= q-point: ( 0.20 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 14.297 15.028 3.173) 20.984 0.714 ( 18.491 15.867 4.769) 24.828 1.125 ( 21.215 27.797 9.397) 36.209 1.243 ( 1.947 18.861 0.117) 18.962 1.613 ( -6.757 0.136 -12.054) 13.819 1.672 ( -3.730 1.707 -7.276) 8.353 1.793 ( -5.617 9.759 4.923) 12.290 1.850 ( -1.540 11.386 -7.289) 13.607 2.030 ( 1.334 2.532 5.608) 6.296 2.112 ( -3.298 2.317 2.584) 4.788 2.142 ( 2.304 5.775 -0.537) 6.241 2.200 ( 0.931 7.336 7.827) 10.768 2.251 ( -2.583 10.893 -0.441) 11.204 2.316 ( -3.747 7.512 2.161) 8.669 2.394 ( 6.938 3.726 6.449) 10.179 2.633 ( -5.507 1.365 -2.745) 6.302 2.938 ( -3.198 -0.661 -12.810) 13.220 3.146 ( -12.978 -0.847 -9.512) 16.113 3.452 ( 1.573 -0.778 8.089) 8.277 3.519 ( 3.603 -1.079 1.487) 4.044 3.766 ( 6.853 -2.581 -0.551) 7.344 3.859 ( 4.199 -0.921 4.295) 6.077 3.980 ( 0.898 -1.863 3.566) 4.122 4.464 ( -3.031 -4.927 -4.098) 7.090 5.258 ( -0.587 -0.831 1.136) 1.525 5.406 ( -0.396 -4.809 -3.152) 5.764 5.709 ( -0.316 12.351 -0.469) 12.364 5.745 ( 2.696 0.409 3.586) 4.504 6.022 ( -3.212 -0.828 -2.892) 4.401 6.089 ( -2.732 -0.688 0.696) 2.902 6.214 ( -0.206 4.527 -1.825) 4.885 6.300 ( -6.050 11.678 -4.329) 13.846 6.322 ( -0.356 5.947 0.215) 5.961 6.526 ( -0.925 4.373 1.880) 4.848 6.626 ( -1.817 -1.048 0.956) 2.305 6.727 ( 0.049 2.271 -0.074) 2.273 6.760 ( 2.532 -0.040 0.593) 2.601 6.846 ( -7.303 4.347 2.077) 8.749 6.912 ( -1.224 3.779 0.146) 3.974 6.987 ( 0.300 -1.271 0.582) 1.430 7.099 ( 1.358 -2.180 3.247) 4.140 7.117 ( 1.400 0.673 2.980) 3.360 7.288 ( 0.219 6.198 -1.556) 6.395 7.367 ( 0.091 1.599 -0.671) 1.736 7.385 ( -1.681 -2.134 -0.613) 2.785 7.552 ( 0.061 2.741 0.053) 2.742 7.641 ( -1.447 9.038 -2.523) 9.494 7.828 ( 2.441 0.776 -6.099) 6.615 7.881 ( -3.171 0.044 -0.059) 3.171 8.109 ( 5.596 2.060 3.537) 6.933 8.529 ( -1.669 6.175 -0.924) 6.462 8.604 ( -5.685 0.871 -1.943) 6.070 8.749 ( -9.476 4.779 4.935) 11.704 9.061 ( -0.432 -3.199 -2.191) 3.902 9.129 ( 0.274 -3.368 7.738) 8.443 9.411 ( 0.773 -1.656 -2.777) 3.324 9.698 ( 13.247 -10.531 -13.486) 21.639 10.195 ( -0.263 -3.908 1.119) 4.074 10.442 ( 0.206 -6.247 11.331) 12.940 10.644 ( -1.233 -5.774 -0.777) 5.955 ======================= Grid point 7 (6/91) ======================= q-point: ( 0.40 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 13.986 10.632 3.813) 17.978 1.002 ( 8.317 20.983 8.047) 23.962 1.166 ( -2.916 15.587 -3.743) 16.293 1.355 ( -10.295 3.791 -10.509) 15.192 1.650 ( 7.214 3.585 -4.040) 9.012 1.703 ( -2.923 11.677 -1.566) 12.138 1.760 ( 19.964 5.805 7.648) 22.153 1.829 ( 5.362 10.546 2.422) 12.076 1.919 ( -13.340 2.232 2.934) 13.840 2.103 ( 1.275 3.773 3.680) 5.423 2.169 ( 0.627 5.232 -1.636) 5.518 2.217 ( 1.829 9.237 -0.820) 9.452 2.246 ( -1.168 8.527 1.465) 8.730 2.269 ( -1.081 8.661 2.562) 9.096 2.505 ( -9.263 7.686 -3.254) 12.468 2.572 ( -8.015 1.661 -3.647) 8.961 2.701 ( 2.186 0.657 10.949) 11.185 2.900 ( -5.532 -0.365 -17.449) 18.308 3.533 ( 1.042 -0.589 6.938) 7.041 3.582 ( 2.284 -2.943 -2.622) 4.556 3.849 ( 2.453 -3.683 -0.874) 4.511 3.916 ( 0.873 -1.215 -1.329) 2.001 4.110 ( 6.700 -2.558 12.253) 14.198 4.330 ( -6.632 -3.880 -8.672) 11.586 5.279 ( 1.529 -2.160 2.779) 3.837 5.348 ( -2.626 -3.818 -3.993) 6.117 5.699 ( -0.278 13.152 -0.201) 13.156 5.830 ( 3.415 -0.855 3.101) 4.692 5.937 ( -3.613 2.299 -2.417) 4.917 6.045 ( -1.536 0.816 0.213) 1.752 6.190 ( -0.890 6.434 -0.719) 6.535 6.194 ( -1.408 10.555 -2.228) 10.879 6.366 ( 1.339 2.731 1.245) 3.287 6.528 ( -0.353 3.471 2.270) 4.162 6.604 ( -0.539 1.265 -0.899) 1.643 6.719 ( -0.684 1.182 1.024) 1.707 6.757 ( -2.186 3.721 -0.829) 4.394 6.814 ( 2.257 0.874 -0.052) 2.421 6.885 ( -1.809 2.042 0.552) 2.784 7.006 ( 1.554 0.570 -1.507) 2.238 7.073 ( -2.540 -2.435 2.863) 4.536 7.215 ( 3.371 3.130 0.693) 4.652 7.311 ( 1.491 1.379 1.661) 2.624 7.337 ( -2.149 -2.695 0.225) 3.455 7.366 ( -0.131 0.518 -1.300) 1.406 7.554 ( 0.027 2.757 0.050) 2.757 7.608 ( -0.362 9.958 -1.135) 10.029 7.809 ( -1.398 -0.830 -2.299) 2.816 7.853 ( 0.566 2.090 -0.987) 2.380 8.252 ( 6.768 1.329 3.169) 7.591 8.454 ( -7.463 2.912 -2.290) 8.332 8.522 ( 0.353 7.097 -0.149) 7.107 8.695 ( -1.112 -3.110 1.570) 3.657 9.040 ( -0.541 -3.025 -0.564) 3.124 9.171 ( 0.295 -2.914 2.866) 4.098 9.408 ( 0.383 -1.673 -1.474) 2.263 9.772 ( 2.882 -6.557 -4.658) 8.544 10.199 ( -0.041 -4.177 0.572) 4.217 10.491 ( -0.165 -4.705 4.345) 6.406 10.617 ( -0.820 -6.611 -0.652) 6.694 ======================= Grid point 10 (7/91) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 0.000 20.073 0.000) 20.073 0.895 ( 0.000 22.201 0.000) 22.201 1.644 ( 0.000 25.955 0.000) 25.955 1.724 ( 0.000 22.904 0.000) 22.904 1.785 ( 0.000 1.140 0.000) 1.140 1.802 ( 0.000 13.888 0.000) 13.888 1.957 ( 0.000 3.981 0.000) 3.981 1.982 ( 0.000 6.737 0.000) 6.737 2.195 ( 0.000 9.527 0.000) 9.527 2.208 ( 0.000 10.157 0.000) 10.157 2.266 ( 0.000 6.926 0.000) 6.926 2.348 ( 0.000 10.702 0.000) 10.702 2.372 ( 0.000 0.337 0.000) 0.337 2.511 ( 0.000 11.541 0.000) 11.541 2.675 ( 0.000 24.700 0.000) 24.700 2.776 ( 0.000 -0.375 0.000) 0.375 2.896 ( 0.000 -0.949 0.000) 0.949 3.293 ( 0.000 -3.085 0.000) 3.085 3.419 ( 0.000 0.596 0.000) 0.596 3.476 ( 0.000 0.436 0.000) 0.436 3.640 ( 0.000 -1.582 0.000) 1.582 3.807 ( 0.000 1.986 0.000) 1.986 3.922 ( 0.000 -1.514 0.000) 1.514 4.356 ( 0.000 -9.081 0.000) 9.081 5.260 ( 0.000 -0.112 0.000) 0.112 5.341 ( 0.000 -2.460 0.000) 2.460 5.737 ( 0.000 2.489 0.000) 2.489 5.935 ( 0.000 3.378 0.000) 3.378 6.069 ( 0.000 7.811 0.000) 7.811 6.076 ( 0.000 -2.497 0.000) 2.497 6.307 ( 0.000 4.116 0.000) 4.116 6.391 ( 0.000 4.518 0.000) 4.518 6.519 ( 0.000 3.668 0.000) 3.668 6.606 ( 0.000 -1.900 0.000) 1.900 6.626 ( 0.000 0.289 0.000) 0.289 6.757 ( 0.000 3.282 0.000) 3.282 6.764 ( 0.000 4.667 0.000) 4.667 6.942 ( 0.000 0.724 0.000) 0.724 6.944 ( 0.000 -1.191 0.000) 1.191 7.050 ( 0.000 3.905 0.000) 3.905 7.069 ( 0.000 4.847 0.000) 4.847 7.150 ( 0.000 3.058 0.000) 3.058 7.390 ( 0.000 -0.261 0.000) 0.261 7.432 ( 0.000 5.882 0.000) 5.882 7.451 ( 0.000 3.287 0.000) 3.287 7.654 ( 0.000 7.540 0.000) 7.540 7.776 ( 0.000 5.912 0.000) 5.912 7.864 ( 0.000 0.953 0.000) 0.953 7.969 ( 0.000 -0.143 0.000) 0.143 8.089 ( 0.000 8.745 0.000) 8.745 8.496 ( 0.000 -5.132 0.000) 5.132 8.763 ( 0.000 6.263 0.000) 6.263 8.961 ( 0.000 -5.553 0.000) 5.553 8.977 ( 0.000 -5.142 0.000) 5.142 9.055 ( 0.000 -1.828 0.000) 1.828 9.350 ( 0.000 -4.119 0.000) 4.119 9.376 ( 0.000 -2.288 0.000) 2.288 10.095 ( 0.000 -6.045 0.000) 6.045 10.284 ( 0.000 -5.597 0.000) 5.597 10.508 ( 0.000 -9.169 0.000) 9.169 ======================= Grid point 11 (8/91) ======================= q-point: ( 0.20 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 11.316 17.487 -0.353) 20.832 1.011 ( 15.084 16.382 5.030) 22.829 1.617 ( -4.781 5.406 -9.195) 11.689 1.669 ( -1.123 19.045 -1.139) 19.112 1.735 ( -0.830 7.668 -5.319) 9.369 1.833 ( 4.777 30.452 3.208) 30.991 2.011 ( -2.560 9.864 8.511) 13.278 2.039 ( 4.285 3.038 2.870) 5.985 2.130 ( -0.945 10.841 -4.155) 11.648 2.157 ( -9.056 5.072 5.617) 11.802 2.290 ( 1.265 7.647 0.416) 7.762 2.356 ( 0.902 7.652 -2.131) 7.994 2.399 ( 2.854 3.287 1.305) 4.545 2.531 ( 0.985 12.198 2.361) 12.464 2.665 ( -3.074 17.547 0.969) 17.841 2.699 ( -2.398 8.665 2.347) 9.292 2.919 ( 2.441 -1.085 -12.962) 13.235 3.143 ( -12.182 1.412 -3.312) 12.703 3.432 ( 0.225 -1.283 5.481) 5.633 3.506 ( 2.489 -0.016 -0.081) 2.491 3.704 ( 5.171 -3.170 -1.422) 6.229 3.846 ( 2.111 0.147 4.436) 4.915 3.943 ( 1.687 -1.245 2.500) 3.262 4.325 ( -2.317 -8.566 -3.601) 9.577 5.248 ( -1.044 -0.167 0.579) 1.205 5.325 ( -1.342 -2.905 -1.423) 3.502 5.764 ( 1.760 1.674 2.437) 3.441 5.917 ( -1.192 2.994 -1.161) 3.425 6.055 ( -2.273 -1.316 1.490) 3.020 6.069 ( 0.744 8.842 -2.729) 9.284 6.319 ( 1.034 4.458 -0.325) 4.588 6.390 ( -0.926 2.773 1.718) 3.391 6.489 ( -2.400 6.604 -1.976) 7.299 6.566 ( -2.372 -0.453 2.439) 3.433 6.646 ( 1.522 1.792 -0.996) 2.554 6.759 ( 0.668 1.600 -0.580) 1.828 6.811 ( 1.924 4.783 1.614) 5.402 6.888 ( -2.016 1.454 -1.055) 2.700 6.969 ( 0.537 0.454 -2.704) 2.794 7.038 ( -1.772 5.538 -0.613) 5.847 7.088 ( 0.816 1.885 3.864) 4.376 7.143 ( -0.020 2.294 2.708) 3.549 7.357 ( -2.607 -0.643 -0.502) 2.732 7.427 ( -1.529 6.106 -0.071) 6.295 7.437 ( -0.382 5.207 0.301) 5.229 7.645 ( -0.754 6.357 0.066) 6.402 7.814 ( 2.691 4.571 -3.192) 6.191 7.864 ( 0.915 2.884 -2.527) 3.942 7.883 ( -3.253 3.712 -1.655) 5.206 8.180 ( 5.322 5.128 2.452) 7.787 8.500 ( 0.687 -5.326 -0.665) 5.411 8.695 ( -4.755 6.177 -2.761) 8.270 8.841 ( -11.619 3.047 3.385) 12.479 8.969 ( -1.544 -5.689 -0.667) 5.932 9.041 ( 1.979 -4.922 4.861) 7.195 9.367 ( 1.277 -2.651 -4.208) 5.135 9.511 ( 9.977 -7.824 -3.121) 13.057 10.092 ( -0.539 -6.129 0.872) 6.215 10.315 ( 1.358 -6.571 4.364) 8.004 10.491 ( -1.475 -9.084 -0.856) 9.243 ======================= Grid point 12 (9/91) ======================= q-point: ( 0.40 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 9.206 13.883 4.124) 17.161 1.356 ( 14.057 13.431 1.932) 19.538 1.441 ( -7.290 8.418 -6.230) 12.760 1.604 ( -3.258 17.843 -3.178) 18.414 1.724 ( 1.691 6.762 -3.408) 7.759 1.879 ( -6.362 4.005 1.419) 7.651 1.990 ( -2.711 14.171 3.170) 14.772 2.065 ( 2.070 9.667 0.211) 9.889 2.118 ( 2.586 14.664 1.500) 14.965 2.183 ( 5.671 8.305 5.203) 11.323 2.293 ( -1.839 6.769 0.331) 7.022 2.385 ( 4.807 10.724 -1.876) 11.900 2.443 ( 0.796 4.809 0.782) 4.937 2.527 ( -5.885 15.306 2.103) 16.532 2.604 ( -1.542 8.439 0.235) 8.582 2.730 ( -2.597 3.344 2.080) 4.717 2.803 ( -0.822 13.361 -3.125) 13.746 2.925 ( -5.409 6.195 -8.753) 12.010 3.478 ( 0.399 -5.186 4.376) 6.798 3.546 ( 1.791 0.087 -1.446) 2.303 3.765 ( 1.841 -4.269 -0.636) 4.693 3.891 ( 0.697 -0.857 -0.057) 1.106 4.045 ( 4.772 -3.367 8.555) 10.359 4.223 ( -4.593 -6.367 -6.739) 10.346 5.245 ( 0.345 -1.211 1.346) 1.843 5.279 ( -1.939 -2.488 -1.961) 3.714 5.813 ( 1.342 -0.125 1.910) 2.337 5.889 ( -0.791 3.001 -1.169) 3.316 6.026 ( -0.961 -1.360 0.254) 1.685 6.067 ( 0.186 12.084 -0.835) 12.114 6.328 ( 0.219 5.655 -0.179) 5.662 6.374 ( -1.325 -0.799 0.673) 1.687 6.431 ( -1.557 9.799 -1.181) 9.992 6.592 ( 1.838 2.711 3.645) 4.900 6.656 ( 0.054 2.849 -1.171) 3.081 6.750 ( -0.360 1.220 -2.346) 2.668 6.824 ( -1.369 2.866 2.191) 3.859 6.866 ( 0.264 4.162 -0.954) 4.278 6.969 ( 0.876 3.558 -2.041) 4.194 7.005 ( -0.128 2.053 -1.067) 2.318 7.074 ( -3.015 3.455 3.989) 6.078 7.233 ( 4.857 -1.340 1.077) 5.153 7.324 ( 0.468 1.108 -0.290) 1.238 7.388 ( -3.800 5.086 0.571) 6.374 7.414 ( -0.880 4.451 -0.840) 4.614 7.635 ( -0.251 5.464 0.166) 5.472 7.801 ( -0.905 0.675 -1.146) 1.609 7.823 ( -0.599 10.254 -1.137) 10.334 7.918 ( 2.552 4.816 -1.809) 5.742 8.280 ( 3.172 1.468 2.162) 4.110 8.499 ( -0.808 -1.652 -1.300) 2.252 8.614 ( -0.486 2.938 -2.202) 3.704 8.690 ( -6.261 4.284 3.022) 8.166 8.953 ( -0.212 -5.508 -0.402) 5.527 9.090 ( 0.726 -4.867 1.943) 5.291 9.364 ( 0.364 -2.609 -1.416) 2.991 9.616 ( 3.286 -8.169 -2.086) 9.048 10.089 ( -0.249 -6.382 0.613) 6.416 10.369 ( 1.348 -7.036 3.274) 7.877 10.451 ( -1.556 -9.330 -1.496) 9.577 ======================= Grid point 15 (10/91) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 0.000 18.428 0.000) 18.428 1.323 ( 0.000 20.052 0.000) 20.052 1.816 ( 0.000 3.170 0.000) 3.170 1.831 ( 0.000 3.420 0.000) 3.420 2.027 ( 0.000 3.431 0.000) 3.431 2.063 ( 0.000 5.277 0.000) 5.277 2.074 ( 0.000 16.123 0.000) 16.123 2.278 ( 0.000 4.768 0.000) 4.768 2.370 ( 0.000 6.203 0.000) 6.203 2.398 ( 0.000 8.126 0.000) 8.126 2.409 ( 0.000 3.635 0.000) 3.635 2.517 ( 0.000 4.226 0.000) 4.226 2.592 ( 0.000 30.058 0.000) 30.058 2.621 ( 0.000 1.759 0.000) 1.759 2.859 ( 0.000 -2.628 0.000) 2.628 2.886 ( 0.000 9.376 0.000) 9.376 3.165 ( 0.000 21.238 0.000) 21.238 3.268 ( 0.000 1.707 0.000) 1.707 3.430 ( 0.000 0.027 0.000) 0.027 3.475 ( 0.000 1.189 0.000) 1.189 3.640 ( 0.000 1.667 0.000) 1.667 3.874 ( 0.000 4.585 0.000) 4.585 3.947 ( 0.000 5.060 0.000) 5.060 4.160 ( 0.000 -9.314 0.000) 9.314 5.265 ( 0.000 0.650 0.000) 0.650 5.317 ( 0.000 0.066 0.000) 0.066 5.794 ( 0.000 2.948 0.000) 2.948 5.927 ( 0.000 -0.943 0.000) 0.943 6.031 ( 0.000 -1.499 0.000) 1.499 6.260 ( 0.000 7.749 0.000) 7.749 6.376 ( 0.000 3.127 0.000) 3.127 6.475 ( 0.000 3.384 0.000) 3.384 6.529 ( 0.000 -2.798 0.000) 2.798 6.574 ( 0.000 -1.237 0.000) 1.237 6.652 ( 0.000 3.423 0.000) 3.423 6.844 ( 0.000 2.718 0.000) 2.718 6.857 ( 0.000 5.553 0.000) 5.553 6.913 ( 0.000 -0.342 0.000) 0.342 7.018 ( 0.000 5.741 0.000) 5.741 7.107 ( 0.000 1.134 0.000) 1.134 7.168 ( 0.000 4.342 0.000) 4.342 7.229 ( 0.000 3.343 0.000) 3.343 7.382 ( 0.000 0.258 0.000) 0.258 7.495 ( 0.000 1.993 0.000) 1.993 7.576 ( 0.000 7.556 0.000) 7.556 7.811 ( 0.000 -4.554 0.000) 4.554 7.835 ( 0.000 9.607 0.000) 9.607 7.867 ( 0.000 3.890 0.000) 3.890 8.087 ( 0.000 9.312 0.000) 9.312 8.269 ( 0.000 8.080 0.000) 8.080 8.375 ( 0.000 -6.123 0.000) 6.123 8.823 ( 0.000 -4.880 0.000) 4.880 8.857 ( 0.000 -6.574 0.000) 6.574 8.924 ( 0.000 6.482 0.000) 6.482 9.010 ( 0.000 -2.623 0.000) 2.623 9.278 ( 0.000 -2.745 0.000) 2.745 9.328 ( 0.000 -2.390 0.000) 2.390 9.963 ( 0.000 -6.848 0.000) 6.848 10.160 ( 0.000 -6.450 0.000) 6.450 10.311 ( 0.000 -9.970 0.000) 9.970 ======================= Grid point 16 (11/91) ======================= q-point: ( 0.20 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 12.190 15.602 -0.821) 19.816 1.370 ( 4.548 17.906 3.345) 18.775 1.707 ( -2.878 5.155 -7.778) 9.765 1.836 ( -2.106 5.718 -3.088) 6.831 2.050 ( 1.299 8.389 2.526) 8.857 2.068 ( -1.156 8.213 1.006) 8.354 2.140 ( -3.764 3.115 8.866) 10.123 2.186 ( -2.319 5.922 0.766) 6.406 2.326 ( -2.536 7.211 -3.321) 8.334 2.400 ( 0.901 2.811 0.656) 3.024 2.419 ( 1.518 5.020 -4.193) 6.715 2.531 ( -1.321 10.577 -1.354) 10.745 2.582 ( 3.467 15.755 1.132) 16.171 2.696 ( 3.574 11.400 4.578) 12.794 2.853 ( -0.017 5.473 -6.381) 8.407 2.906 ( 2.638 3.887 1.510) 4.935 3.064 ( -9.175 14.359 1.986) 17.155 3.263 ( -1.504 9.733 0.653) 9.871 3.401 ( -1.818 0.559 -0.853) 2.084 3.516 ( 3.081 0.698 -0.468) 3.193 3.668 ( 2.209 0.404 0.534) 2.308 3.885 ( -0.013 3.894 3.503) 5.237 3.965 ( 1.946 4.336 -0.407) 4.770 4.145 ( -0.867 -8.102 -2.283) 8.462 5.251 ( -1.254 0.462 -0.190) 1.350 5.296 ( -1.834 -0.026 -0.517) 1.906 5.807 ( 0.722 2.377 1.260) 2.785 5.923 ( 0.093 -0.127 -1.028) 1.039 6.023 ( -0.703 -0.693 -0.002) 0.987 6.268 ( 0.918 7.380 -0.445) 7.450 6.381 ( -0.617 2.320 0.577) 2.469 6.439 ( -2.656 2.263 1.212) 3.693 6.539 ( 2.279 -0.189 0.356) 2.315 6.602 ( 0.125 1.577 1.214) 1.994 6.662 ( 1.575 1.972 -0.104) 2.525 6.806 ( -1.764 2.464 -2.165) 3.724 6.889 ( 0.639 2.160 0.030) 2.253 6.919 ( 0.681 1.551 2.034) 2.647 7.040 ( 1.615 7.208 -3.876) 8.342 7.083 ( 0.063 -0.346 -1.465) 1.506 7.169 ( -0.609 4.379 2.472) 5.065 7.215 ( -1.343 3.833 1.852) 4.464 7.346 ( -2.333 -0.229 -0.825) 2.485 7.513 ( -0.069 3.126 1.521) 3.477 7.569 ( -1.698 6.483 0.523) 6.723 7.768 ( -2.273 3.470 1.134) 4.300 7.852 ( 0.931 3.678 -0.080) 3.795 7.907 ( 4.700 3.835 -4.470) 7.535 8.073 ( 0.011 10.401 -1.884) 10.570 8.300 ( 1.042 4.657 2.401) 5.343 8.380 ( 1.263 -4.524 -0.690) 4.748 8.793 ( -3.641 0.962 -1.404) 4.019 8.831 ( 0.426 -5.145 -2.616) 5.788 8.877 ( -9.187 -1.297 4.227) 10.195 8.973 ( 0.607 0.479 2.455) 2.574 9.311 ( 2.360 -2.661 -6.049) 7.017 9.384 ( 5.106 -4.834 2.392) 7.427 9.959 ( -0.498 -6.877 0.333) 6.903 10.177 ( 1.111 -6.916 1.894) 7.256 10.297 ( -1.217 -9.682 -0.575) 9.775 ======================= Grid point 17 (12/91) ======================= q-point: ( 0.40 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 5.412 14.527 2.923) 15.776 1.571 ( 5.185 9.066 -4.590) 11.408 1.643 ( 6.242 10.781 0.984) 12.496 1.815 ( 2.528 7.128 -1.299) 7.674 1.929 ( -10.576 7.998 -1.434) 13.337 1.962 ( -8.198 5.288 -0.958) 9.803 2.144 ( 1.042 3.207 3.361) 4.761 2.254 ( 0.545 9.529 4.342) 10.486 2.298 ( 1.267 5.323 1.618) 5.706 2.377 ( -1.230 2.755 -4.537) 5.449 2.449 ( 3.269 4.456 -3.626) 6.611 2.489 ( -2.664 6.636 1.715) 7.354 2.689 ( 6.772 12.735 -0.590) 14.436 2.784 ( 2.195 10.428 4.292) 11.489 2.811 ( -1.346 8.372 -1.253) 8.572 2.891 ( -8.074 15.532 -1.431) 17.564 2.961 ( 1.462 8.135 0.277) 8.270 3.235 ( -1.195 15.211 0.044) 15.258 3.366 ( -1.096 -3.689 -0.429) 3.872 3.555 ( 1.103 0.356 -0.157) 1.170 3.706 ( 1.214 -0.392 0.168) 1.287 3.906 ( -0.025 3.040 2.099) 3.695 4.012 ( 2.269 1.427 1.604) 3.124 4.102 ( -1.542 -4.514 -3.015) 5.643 5.229 ( -0.686 -0.214 -0.226) 0.753 5.259 ( -1.287 0.297 -0.271) 1.348 5.827 ( 0.426 1.371 0.815) 1.651 5.921 ( 0.251 1.309 -0.767) 1.538 6.011 ( -0.522 0.236 0.148) 0.592 6.288 ( 1.390 7.445 -0.364) 7.582 6.342 ( -2.444 -0.081 0.238) 2.457 6.429 ( -0.062 4.556 0.506) 4.584 6.581 ( -0.116 4.077 0.287) 4.089 6.629 ( 3.333 1.263 3.717) 5.150 6.689 ( 0.907 1.241 -1.691) 2.285 6.759 ( -1.635 0.129 -2.042) 2.618 6.848 ( -3.122 0.290 -0.495) 3.174 6.958 ( 1.475 0.711 1.203) 2.032 7.033 ( 0.277 8.721 -2.161) 8.989 7.098 ( 1.876 1.594 -1.329) 2.797 7.170 ( -1.423 5.153 3.081) 6.170 7.214 ( -0.741 1.021 0.215) 1.280 7.348 ( 4.473 0.846 -0.283) 4.561 7.463 ( -6.103 1.989 0.347) 6.428 7.530 ( -1.199 6.370 -0.067) 6.483 7.774 ( 0.945 8.093 1.320) 8.255 7.855 ( -0.151 4.573 -0.778) 4.641 7.954 ( 1.847 3.676 -1.673) 4.441 8.084 ( 2.027 9.885 -1.793) 10.249 8.309 ( -0.917 0.640 1.677) 2.016 8.409 ( 1.277 -3.566 -0.383) 3.807 8.714 ( -2.921 4.439 0.428) 5.331 8.763 ( -3.542 1.918 -0.035) 4.028 8.830 ( 0.167 -6.140 -0.553) 6.167 8.999 ( 0.350 -2.882 1.315) 3.187 9.311 ( 0.427 -2.406 -1.457) 2.846 9.468 ( 2.527 -6.206 -0.261) 6.706 9.953 ( -0.290 -7.002 0.292) 7.014 10.218 ( 1.691 -7.818 2.039) 8.254 10.262 ( -1.788 -8.990 -1.304) 9.259 ======================= Grid point 20 (13/91) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 0.000 15.036 0.000) 15.036 1.686 ( 0.000 15.531 0.000) 15.531 1.880 ( 0.000 2.949 0.000) 2.949 1.921 ( 0.000 5.613 0.000) 5.613 2.101 ( 0.000 3.920 0.000) 3.920 2.137 ( 0.000 2.402 0.000) 2.402 2.273 ( 0.000 -0.604 0.000) 0.604 2.319 ( 0.000 5.670 0.000) 5.670 2.387 ( 0.000 -4.342 0.000) 4.342 2.466 ( 0.000 1.929 0.000) 1.929 2.530 ( 0.000 0.489 0.000) 0.489 2.548 ( 0.000 6.145 0.000) 6.145 2.710 ( 0.000 4.681 0.000) 4.681 2.733 ( 0.000 -5.961 0.000) 5.961 2.980 ( 0.000 -1.212 0.000) 1.212 3.137 ( 0.000 13.276 0.000) 13.276 3.363 ( 0.000 1.972 0.000) 1.972 3.383 ( 0.000 1.236 0.000) 1.236 3.437 ( 0.000 12.275 0.000) 12.275 3.645 ( 0.000 9.138 0.000) 9.138 3.773 ( 0.000 15.012 0.000) 15.012 3.913 ( 0.000 -1.724 0.000) 1.724 4.110 ( 0.000 6.732 0.000) 6.732 4.119 ( 0.000 10.864 0.000) 10.864 5.285 ( 0.000 1.252 0.000) 1.252 5.337 ( 0.000 1.610 0.000) 1.610 5.840 ( 0.000 1.334 0.000) 1.334 5.923 ( 0.000 0.588 0.000) 0.588 6.040 ( 0.000 2.906 0.000) 2.906 6.389 ( 0.000 5.836 0.000) 5.836 6.431 ( 0.000 1.408 0.000) 1.408 6.492 ( 0.000 0.966 0.000) 0.966 6.521 ( 0.000 1.520 0.000) 1.520 6.557 ( 0.000 -0.449 0.000) 0.449 6.709 ( 0.000 1.703 0.000) 1.703 6.855 ( 0.000 -2.368 0.000) 2.368 6.900 ( 0.000 3.010 0.000) 3.010 7.003 ( 0.000 2.456 0.000) 2.456 7.109 ( 0.000 0.959 0.000) 0.959 7.126 ( 0.000 4.760 0.000) 4.760 7.221 ( 0.000 0.428 0.000) 0.428 7.244 ( 0.000 -0.791 0.000) 0.791 7.424 ( 0.000 3.087 0.000) 3.087 7.529 ( 0.000 1.393 0.000) 1.393 7.720 ( 0.000 -4.013 0.000) 4.013 7.729 ( 0.000 7.295 0.000) 7.295 7.952 ( 0.000 4.375 0.000) 4.375 8.006 ( 0.000 6.463 0.000) 6.463 8.208 ( 0.000 -7.367 0.000) 7.367 8.276 ( 0.000 8.765 0.000) 8.765 8.453 ( 0.000 7.604 0.000) 7.604 8.719 ( 0.000 -7.078 0.000) 7.078 8.728 ( 0.000 -3.485 0.000) 3.485 8.951 ( 0.000 -3.113 0.000) 3.113 9.066 ( 0.000 6.599 0.000) 6.599 9.252 ( 0.000 0.535 0.000) 0.535 9.283 ( 0.000 -2.038 0.000) 2.038 9.825 ( 0.000 -6.828 0.000) 6.828 10.035 ( 0.000 -5.643 0.000) 5.643 10.124 ( 0.000 -8.274 0.000) 8.274 ======================= Grid point 21 (14/91) ======================= q-point: ( 0.20 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 8.393 12.905 -0.810) 15.415 1.698 ( 0.807 14.152 1.966) 14.311 1.820 ( -1.271 5.721 -4.525) 7.404 1.948 ( 0.478 5.401 -1.604) 5.655 2.098 ( -0.855 2.501 2.084) 3.366 2.172 ( -2.985 1.033 4.954) 5.876 2.245 ( 0.014 1.009 0.872) 1.334 2.280 ( -3.347 5.492 -1.507) 6.605 2.373 ( 0.571 -1.201 -2.904) 3.194 2.451 ( -2.255 2.130 4.928) 5.823 2.482 ( -0.067 0.397 -7.891) 7.901 2.622 ( 4.930 1.537 0.377) 5.178 2.689 ( -2.890 4.217 3.473) 6.180 2.804 ( 5.631 -4.023 -0.029) 6.920 3.002 ( 1.477 3.606 2.072) 4.413 3.132 ( 0.037 4.885 -2.614) 5.541 3.243 ( -5.748 6.180 0.216) 8.443 3.342 ( -6.544 9.765 -1.193) 11.816 3.510 ( 3.887 -0.919 3.278) 5.167 3.623 ( -2.875 12.102 -0.994) 12.479 3.773 ( 2.338 10.590 -3.008) 11.254 3.964 ( 1.508 4.171 7.000) 8.287 4.110 ( 0.903 6.821 -2.477) 7.312 4.125 ( 1.036 10.520 -1.559) 10.685 5.269 ( -1.237 1.331 -0.721) 1.954 5.315 ( -2.093 1.546 0.075) 2.603 5.847 ( 0.630 1.412 0.101) 1.549 5.932 ( 0.866 1.013 -0.002) 1.333 6.045 ( 0.395 3.157 -0.029) 3.182 6.366 ( -2.043 3.427 0.928) 4.096 6.442 ( -1.283 3.666 0.784) 3.962 6.479 ( 1.299 2.193 0.805) 2.673 6.543 ( 2.101 0.628 -0.692) 2.300 6.594 ( 2.645 -0.839 -0.145) 2.778 6.719 ( 0.542 2.068 1.669) 2.712 6.838 ( -3.253 -0.735 1.524) 3.667 6.888 ( 0.532 1.364 -2.897) 3.246 6.976 ( -1.997 -0.509 -2.303) 3.091 7.085 ( 0.392 2.312 -0.660) 2.436 7.171 ( 2.011 5.322 -2.047) 6.046 7.220 ( -0.985 0.270 2.517) 2.716 7.254 ( 2.417 0.302 0.471) 2.480 7.374 ( -3.482 2.941 -0.946) 4.655 7.550 ( -1.079 0.745 2.571) 2.886 7.657 ( -2.646 1.416 0.020) 3.001 7.816 ( 4.930 3.641 2.437) 6.596 7.943 ( -0.827 3.338 0.395) 3.462 8.026 ( 3.086 7.063 -4.892) 9.129 8.213 ( 0.609 -6.000 0.732) 6.075 8.271 ( 0.652 8.480 -2.228) 8.792 8.467 ( -0.254 6.584 2.775) 7.149 8.710 ( -0.702 -5.351 -0.984) 5.486 8.727 ( 0.572 -5.595 -2.081) 5.997 8.865 ( -7.852 -0.965 4.412) 9.058 9.066 ( -0.449 6.571 -1.737) 6.812 9.272 ( 1.740 -1.014 -3.706) 4.218 9.313 ( 2.645 -2.331 2.963) 4.605 9.820 ( -0.499 -6.935 -0.066) 6.954 10.046 ( 0.703 -5.928 0.914) 6.040 10.117 ( -0.573 -7.901 -0.346) 7.930 ======================= Grid point 22 (15/91) ======================= q-point: ( 0.40 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 3.272 11.162 1.289) 11.703 1.746 ( 2.208 8.434 -3.024) 9.228 1.832 ( 6.792 7.329 1.685) 10.134 1.948 ( 1.597 6.466 -1.122) 6.754 2.029 ( -5.381 4.048 -0.262) 6.739 2.066 ( -8.711 4.195 -1.120) 9.733 2.226 ( -0.791 4.044 0.826) 4.202 2.300 ( 1.178 -2.103 5.092) 5.634 2.376 ( 0.529 0.728 -0.078) 0.904 2.409 ( -1.567 1.010 -5.277) 5.597 2.495 ( 2.767 2.199 0.149) 3.538 2.634 ( -1.855 5.175 -1.344) 5.659 2.718 ( 2.175 -2.147 2.592) 4.008 2.907 ( 3.865 0.616 0.746) 3.984 3.022 ( -0.574 3.390 0.706) 3.511 3.134 ( 2.644 -0.129 -0.566) 2.707 3.170 ( -3.236 9.234 0.159) 9.786 3.215 ( -4.913 5.372 -1.098) 7.362 3.537 ( -2.380 5.534 1.282) 6.159 3.586 ( 1.010 5.449 -1.214) 5.673 3.809 ( 1.695 11.019 -0.293) 11.152 4.017 ( -0.027 7.768 3.830) 8.661 4.116 ( 0.755 7.146 -0.682) 7.218 4.132 ( 0.919 9.873 -2.166) 10.150 5.243 ( -0.737 1.566 -0.572) 1.823 5.279 ( -1.303 1.438 0.149) 1.947 5.859 ( 0.363 1.601 0.123) 1.646 5.949 ( 0.729 1.393 -0.166) 1.581 6.049 ( 0.024 3.751 0.078) 3.752 6.339 ( -1.116 2.285 0.669) 2.630 6.420 ( -0.689 4.424 0.007) 4.477 6.513 ( 0.843 3.446 0.342) 3.564 6.594 ( 2.668 -0.789 0.811) 2.898 6.638 ( 2.542 -0.646 0.302) 2.640 6.736 ( -1.893 -0.379 1.153) 2.248 6.764 ( -2.429 2.929 -0.825) 3.893 6.863 ( -1.078 1.440 -2.370) 2.976 6.944 ( -0.112 -3.299 -0.105) 3.303 7.115 ( 2.437 2.208 -1.111) 3.470 7.167 ( -0.771 3.880 -0.263) 3.964 7.219 ( -0.498 0.061 1.606) 1.682 7.294 ( -1.328 4.948 -0.322) 5.133 7.364 ( 5.593 1.123 -0.533) 5.729 7.481 ( -6.417 0.386 1.074) 6.518 7.641 ( -0.188 3.952 0.651) 4.009 7.925 ( 3.834 3.393 3.084) 5.977 7.933 ( -0.110 2.358 -0.105) 2.363 8.023 ( -0.572 5.822 -4.077) 7.131 8.234 ( 0.347 3.326 0.463) 3.376 8.303 ( 4.998 2.701 -3.037) 6.442 8.441 ( -4.608 4.541 3.175) 7.206 8.688 ( -0.761 -6.050 -0.540) 6.122 8.713 ( -0.628 -4.257 -0.988) 4.415 8.794 ( -1.521 0.180 1.607) 2.219 9.038 ( -1.077 6.106 -0.463) 6.218 9.275 ( 0.314 -1.026 -0.764) 1.317 9.373 ( 1.841 -3.240 0.364) 3.744 9.810 ( -0.340 -7.176 0.002) 7.184 10.067 ( 0.710 -6.810 0.810) 6.895 10.102 ( -0.647 -6.861 -0.490) 6.909 ======================= Grid point 25 (16/91) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 0.000 10.259 0.000) 10.259 1.919 ( 0.000 7.256 0.000) 7.256 1.924 ( 0.000 1.223 0.000) 1.223 2.065 ( 0.000 8.328 0.000) 8.328 2.137 ( 0.000 -2.418 0.000) 2.418 2.184 ( 0.000 4.372 0.000) 4.372 2.260 ( 0.000 0.310 0.000) 0.310 2.285 ( 0.000 -4.019 0.000) 4.019 2.362 ( 0.000 -0.815 0.000) 0.815 2.469 ( 0.000 -2.737 0.000) 2.737 2.537 ( 0.000 0.357 0.000) 0.357 2.608 ( 0.000 -0.916 0.000) 0.916 2.674 ( 0.000 2.154 0.000) 2.154 2.774 ( 0.000 1.641 0.000) 1.641 2.890 ( 0.000 -5.792 0.000) 5.792 3.129 ( 0.000 -9.004 0.000) 9.004 3.360 ( 0.000 0.117 0.000) 0.117 3.379 ( 0.000 0.130 0.000) 0.130 3.780 ( 0.000 11.353 0.000) 11.353 3.803 ( 0.000 7.039 0.000) 7.039 3.980 ( 0.000 10.640 0.000) 10.640 4.084 ( 0.000 12.945 0.000) 12.945 4.294 ( 0.000 9.355 0.000) 9.355 4.333 ( 0.000 9.271 0.000) 9.271 5.314 ( 0.000 1.605 0.000) 1.605 5.368 ( 0.000 1.074 0.000) 1.074 5.860 ( 0.000 1.248 0.000) 1.248 5.941 ( 0.000 0.718 0.000) 0.718 6.143 ( 0.000 6.840 0.000) 6.840 6.449 ( 0.000 1.706 0.000) 1.706 6.503 ( 0.000 4.601 0.000) 4.601 6.530 ( 0.000 -0.761 0.000) 0.761 6.563 ( 0.000 4.573 0.000) 4.573 6.570 ( 0.000 2.075 0.000) 2.075 6.720 ( 0.000 -0.428 0.000) 0.428 6.800 ( 0.000 -2.503 0.000) 2.503 6.931 ( 0.000 -6.641 0.000) 6.641 6.951 ( 0.000 1.537 0.000) 1.537 7.142 ( 0.000 -0.301 0.000) 0.301 7.180 ( 0.000 -3.372 0.000) 3.372 7.218 ( 0.000 3.786 0.000) 3.786 7.268 ( 0.000 3.513 0.000) 3.513 7.473 ( 0.000 1.656 0.000) 1.656 7.545 ( 0.000 0.095 0.000) 0.095 7.663 ( 0.000 -1.329 0.000) 1.329 7.843 ( 0.000 2.312 0.000) 2.312 8.010 ( 0.000 -3.925 0.000) 3.925 8.028 ( 0.000 2.871 0.000) 2.871 8.176 ( 0.000 4.384 0.000) 4.384 8.421 ( 0.000 5.105 0.000) 5.105 8.577 ( 0.000 3.948 0.000) 3.948 8.581 ( 0.000 -6.098 0.000) 6.098 8.694 ( 0.000 0.432 0.000) 0.432 8.887 ( 0.000 -3.240 0.000) 3.240 9.162 ( 0.000 2.793 0.000) 2.793 9.247 ( 0.000 -1.533 0.000) 1.533 9.311 ( 0.000 5.124 0.000) 5.124 9.690 ( 0.000 -6.635 0.000) 6.635 9.942 ( 0.000 -3.488 0.000) 3.488 9.987 ( 0.000 -5.232 0.000) 5.232 ======================= Grid point 26 (17/91) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 4.416 8.479 -0.709) 9.586 1.907 ( -1.048 4.481 1.029) 4.716 1.920 ( 0.259 5.506 -1.498) 5.712 2.062 ( 0.958 5.399 -2.616) 6.076 2.161 ( -1.869 3.226 0.530) 3.766 2.170 ( 0.895 -0.335 1.850) 2.082 2.236 ( -2.517 -1.131 1.048) 2.952 2.318 ( 2.737 -0.413 -2.330) 3.618 2.348 ( -1.499 0.006 0.563) 1.602 2.442 ( -0.995 -2.770 -0.523) 2.990 2.484 ( -2.323 0.277 -0.239) 2.352 2.663 ( 0.271 1.780 3.977) 4.366 2.700 ( 1.037 -3.224 5.709) 6.638 2.768 ( 1.857 1.498 -4.147) 4.784 2.942 ( 4.211 -6.926 -0.593) 8.127 3.062 ( -3.352 -6.628 -5.435) 9.204 3.315 ( -4.020 1.895 1.971) 4.862 3.445 ( 1.468 -2.107 7.171) 7.617 3.636 ( -5.465 11.717 -6.072) 14.284 3.806 ( -2.347 5.424 -6.032) 8.444 4.021 ( 2.591 13.773 3.732) 14.503 4.144 ( 1.612 10.575 8.749) 13.820 4.299 ( 1.521 9.767 -2.911) 10.304 4.339 ( 1.708 9.498 -3.125) 10.144 5.301 ( -0.936 1.786 -0.594) 2.102 5.346 ( -2.075 1.243 0.152) 2.424 5.872 ( 1.234 1.495 -0.284) 1.959 5.953 ( 0.944 0.670 0.325) 1.202 6.148 ( 0.399 6.687 0.163) 6.701 6.436 ( -1.429 3.794 1.207) 4.230 6.507 ( -0.510 3.083 1.039) 3.293 6.547 ( 0.802 1.654 0.826) 2.015 6.552 ( 1.411 1.187 -0.742) 1.988 6.590 ( 1.211 1.241 -1.242) 2.133 6.717 ( -0.898 -2.277 1.272) 2.758 6.809 ( -0.086 -0.557 2.414) 2.479 6.896 ( -2.133 -5.198 -2.426) 6.120 6.936 ( -0.438 1.637 -3.242) 3.658 7.124 ( -0.092 -0.105 -0.450) 0.472 7.184 ( -0.284 -3.282 0.726) 3.373 7.259 ( -0.395 3.297 -0.289) 3.333 7.282 ( 5.072 3.342 -0.214) 6.078 7.431 ( -2.862 2.335 -0.781) 3.776 7.555 ( -1.722 -0.170 2.741) 3.242 7.652 ( -0.217 -0.816 0.301) 0.897 7.862 ( -0.005 -2.347 0.862) 2.501 7.987 ( 1.205 3.103 0.578) 3.379 8.124 ( 7.485 0.599 -1.467) 7.651 8.175 ( 0.051 4.579 -0.837) 4.655 8.414 ( 0.074 5.144 -2.188) 5.591 8.546 ( -3.721 -1.934 4.251) 5.972 8.609 ( 2.381 -1.894 -4.298) 5.266 8.666 ( -2.227 0.334 -0.008) 2.252 8.834 ( -5.400 -1.989 3.509) 6.740 9.182 ( 2.131 3.984 -3.816) 5.914 9.260 ( 0.243 -0.834 2.784) 2.917 9.309 ( 0.482 3.020 -0.389) 3.083 9.681 ( -0.800 -6.871 -0.225) 6.922 9.948 ( 0.395 -3.643 0.431) 3.690 9.987 ( 0.081 -4.971 -0.248) 4.978 ======================= Grid point 27 (18/91) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 2.338 4.806 -0.932) 5.425 1.907 ( -0.200 5.595 1.046) 5.695 1.930 ( 2.117 3.476 -0.116) 4.072 2.069 ( 1.295 4.311 -2.125) 4.978 2.113 ( -2.155 4.640 -0.433) 5.134 2.157 ( -2.737 4.499 0.119) 5.268 2.232 ( 0.930 -2.335 2.496) 3.542 2.281 ( -1.941 0.988 -2.027) 2.975 2.365 ( 0.468 -1.439 1.204) 1.933 2.413 ( -1.256 0.043 -2.045) 2.400 2.509 ( 2.576 -0.803 2.607) 3.752 2.678 ( 0.304 0.041 -1.121) 1.163 2.696 ( -2.371 -0.715 2.931) 3.837 2.851 ( 5.192 -4.463 2.031) 7.141 2.950 ( -1.624 -8.274 -0.027) 8.432 3.000 ( -1.123 -6.440 -6.103) 8.944 3.268 ( -1.679 5.314 3.616) 6.643 3.471 ( -1.077 6.711 -0.507) 6.816 3.567 ( -0.605 3.520 1.952) 4.070 3.715 ( -1.861 5.032 -5.208) 7.477 4.079 ( 1.025 13.508 2.379) 13.754 4.202 ( -0.159 9.027 3.969) 9.862 4.318 ( 1.506 10.584 -0.584) 10.706 4.348 ( 1.148 10.055 -3.030) 10.564 5.283 ( -0.386 2.149 -0.516) 2.244 5.310 ( -1.424 1.428 0.230) 2.030 5.893 ( 0.778 1.914 -0.141) 2.071 5.970 ( 0.538 0.542 0.145) 0.777 6.156 ( 0.250 6.559 0.114) 6.564 6.421 ( -0.731 5.600 0.785) 5.701 6.498 ( -0.620 3.178 0.332) 3.255 6.565 ( 0.181 1.392 0.072) 1.406 6.584 ( 2.343 0.123 -0.517) 2.402 6.612 ( 1.405 -2.148 0.096) 2.569 6.688 ( -2.877 -2.898 1.061) 4.219 6.818 ( 0.341 -1.953 -0.579) 2.065 6.850 ( -1.985 -0.236 1.559) 2.535 6.913 ( 0.598 1.922 -3.279) 3.847 7.136 ( 1.172 -1.734 -0.525) 2.158 7.180 ( -0.608 -2.060 0.503) 2.206 7.248 ( -0.384 4.015 0.175) 4.037 7.364 ( 1.355 1.796 -0.922) 2.432 7.404 ( 2.952 2.864 -0.323) 4.125 7.498 ( -5.056 1.496 1.788) 5.568 7.672 ( 1.126 -0.754 0.618) 1.489 7.839 ( -1.501 -6.196 -0.135) 6.377 8.049 ( 2.806 5.941 1.640) 6.772 8.162 ( -0.350 6.430 -1.730) 6.668 8.270 ( 8.048 1.395 -0.385) 8.177 8.389 ( -2.085 4.019 -2.445) 5.145 8.490 ( -3.747 -2.072 2.682) 5.052 8.581 ( -1.837 -4.411 -1.015) 4.884 8.649 ( -0.128 0.466 -0.641) 0.803 8.784 ( -1.440 -1.111 1.913) 2.640 9.180 ( 0.082 6.952 -1.714) 7.161 9.271 ( -0.363 0.498 1.238) 1.382 9.334 ( 1.432 -0.669 -0.171) 1.590 9.664 ( -0.592 -7.349 -0.132) 7.374 9.957 ( 0.197 -3.966 0.268) 3.980 9.988 ( 0.078 -4.480 -0.167) 4.484 ======================= Grid point 30 (19/91) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 0.000 3.924 0.000) 3.924 1.929 ( 0.000 -0.511 0.000) 0.511 2.007 ( 0.000 2.805 0.000) 2.805 2.071 ( 0.000 -3.533 0.000) 3.533 2.212 ( 0.000 6.057 0.000) 6.057 2.259 ( 0.000 3.307 0.000) 3.307 2.274 ( 0.000 0.486 0.000) 0.486 2.275 ( 0.000 1.930 0.000) 1.930 2.315 ( 0.000 -3.357 0.000) 3.357 2.365 ( 0.000 -6.274 0.000) 6.274 2.569 ( 0.000 2.859 0.000) 2.859 2.605 ( 0.000 -0.127 0.000) 0.127 2.720 ( 0.000 1.964 0.000) 1.964 2.766 ( 0.000 -2.671 0.000) 2.671 2.823 ( 0.000 0.910 0.000) 0.910 2.926 ( 0.000 -9.068 0.000) 9.068 3.368 ( 0.000 0.496 0.000) 0.496 3.377 ( 0.000 -0.290 0.000) 0.290 3.901 ( 0.000 2.782 0.000) 2.782 3.904 ( 0.000 2.551 0.000) 2.551 4.205 ( 0.000 7.920 0.000) 7.920 4.252 ( 0.000 3.256 0.000) 3.256 4.441 ( 0.000 4.538 0.000) 4.538 4.459 ( 0.000 2.836 0.000) 2.836 5.347 ( 0.000 1.592 0.000) 1.592 5.372 ( 0.000 -0.655 0.000) 0.655 5.899 ( 0.000 2.341 0.000) 2.341 5.938 ( 0.000 -1.176 0.000) 1.176 6.297 ( 0.000 8.073 0.000) 8.073 6.447 ( 0.000 -6.163 0.000) 6.163 6.508 ( 0.000 3.811 0.000) 3.811 6.566 ( 0.000 -0.722 0.000) 0.722 6.630 ( 0.000 3.638 0.000) 3.638 6.654 ( 0.000 4.279 0.000) 4.279 6.695 ( 0.000 -1.905 0.000) 1.905 6.757 ( 0.000 -4.496 0.000) 4.496 6.842 ( 0.000 1.936 0.000) 1.936 6.933 ( 0.000 -3.949 0.000) 3.949 7.113 ( 0.000 -1.577 0.000) 1.577 7.118 ( 0.000 -1.323 0.000) 1.323 7.291 ( 0.000 3.011 0.000) 3.011 7.321 ( 0.000 0.634 0.000) 0.634 7.502 ( 0.000 1.546 0.000) 1.546 7.533 ( 0.000 -1.249 0.000) 1.249 7.677 ( 0.000 2.846 0.000) 2.846 7.773 ( 0.000 -6.126 0.000) 6.126 8.023 ( 0.000 2.789 0.000) 2.789 8.056 ( 0.000 -0.193 0.000) 0.193 8.282 ( 0.000 5.789 0.000) 5.789 8.404 ( 0.000 -5.842 0.000) 5.842 8.553 ( 0.000 2.552 0.000) 2.552 8.596 ( 0.000 -1.200 0.000) 1.200 8.747 ( 0.000 3.778 0.000) 3.778 8.821 ( 0.000 -3.440 0.000) 3.440 9.198 ( 0.000 1.226 0.000) 1.226 9.221 ( 0.000 -1.120 0.000) 1.120 9.431 ( 0.000 6.310 0.000) 6.310 9.559 ( 0.000 -6.412 0.000) 6.412 9.899 ( 0.000 -0.710 0.000) 0.710 9.914 ( 0.000 -2.159 0.000) 2.159 ======================= Grid point 31 (20/91) ======================= q-point: ( 0.20 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 1.557 3.143 -0.522) 3.547 1.936 ( 0.761 0.011 -0.507) 0.914 2.006 ( -0.069 2.915 0.020) 2.916 2.070 ( 0.054 -3.300 -0.455) 3.332 2.194 ( -0.636 3.324 -1.136) 3.570 2.233 ( -2.140 -0.112 -0.864) 2.311 2.256 ( -0.029 4.496 -0.461) 4.520 2.319 ( 1.283 -0.322 1.149) 1.753 2.346 ( 1.680 -0.260 1.796) 2.473 2.371 ( 1.774 -3.749 -0.711) 4.208 2.509 ( -4.571 3.604 2.738) 6.433 2.608 ( -2.597 -4.846 5.993) 8.133 2.719 ( 0.122 2.762 -1.916) 3.364 2.790 ( 2.548 -2.216 -4.765) 5.841 2.826 ( 0.488 -0.403 -0.150) 0.650 2.913 ( 0.340 -6.802 -4.080) 7.939 3.359 ( -1.736 2.304 4.148) 5.053 3.402 ( 0.411 -2.047 5.958) 6.313 3.812 ( -4.196 5.610 -6.170) 9.335 3.864 ( -2.853 0.325 -6.155) 6.792 4.247 ( 0.955 7.203 6.164) 9.529 4.289 ( 0.516 2.967 7.080) 7.694 4.453 ( 2.427 4.696 -3.540) 6.362 4.471 ( 2.395 3.031 -3.598) 5.279 5.336 ( -0.952 1.507 -0.236) 1.798 5.356 ( -1.510 -0.325 0.035) 1.545 5.912 ( 1.344 2.270 -0.163) 2.643 5.949 ( 1.009 -1.105 0.121) 1.501 6.300 ( 0.122 8.136 0.443) 8.149 6.458 ( 0.882 -6.868 0.388) 6.935 6.516 ( 0.617 3.507 0.596) 3.611 6.556 ( -0.847 0.521 0.268) 1.030 6.620 ( -0.860 2.436 -0.274) 2.598 6.640 ( -1.502 2.647 -0.671) 3.117 6.676 ( -1.335 -0.318 0.746) 1.562 6.755 ( -0.506 -5.475 -0.905) 5.573 6.861 ( 1.352 2.891 1.608) 3.574 6.933 ( 0.314 -2.615 -0.916) 2.788 7.101 ( -0.628 -0.685 -0.134) 0.939 7.122 ( 0.506 -2.313 -0.911) 2.537 7.318 ( 1.922 2.411 -1.178) 3.301 7.337 ( 2.367 0.979 -0.991) 2.746 7.477 ( -1.955 2.675 0.526) 3.354 7.532 ( -0.840 -2.301 2.030) 3.182 7.664 ( -1.218 2.667 0.265) 2.944 7.756 ( -1.816 -5.950 0.193) 6.224 8.070 ( 4.391 3.872 1.066) 5.950 8.121 ( 5.904 -1.123 0.541) 6.034 8.284 ( 0.749 5.694 -1.573) 5.955 8.402 ( 0.085 -5.698 -0.604) 5.731 8.531 ( -1.989 2.559 -1.764) 3.690 8.579 ( -1.589 -1.959 -2.169) 3.326 8.724 ( -2.443 3.563 1.923) 4.729 8.787 ( -3.714 -2.715 2.805) 5.388 9.226 ( 2.984 1.134 -1.828) 3.678 9.243 ( 1.923 -0.764 1.031) 2.312 9.413 ( -1.757 6.281 0.052) 6.522 9.544 ( -1.349 -6.674 -0.186) 6.811 9.903 ( 0.336 -0.759 0.087) 0.835 9.917 ( 0.346 -2.080 -0.142) 2.113 ======================= Grid point 32 (21/91) ======================= q-point: ( 0.40 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 0.587 1.992 -0.260) 2.093 1.948 ( 0.668 0.338 -0.275) 0.798 2.005 ( -0.021 2.939 0.030) 2.940 2.069 ( 0.118 -3.318 -0.331) 3.337 2.176 ( -0.575 2.601 -0.811) 2.784 2.204 ( -0.453 0.050 -0.142) 0.477 2.265 ( 1.219 2.640 -0.416) 2.937 2.315 ( -1.526 -1.922 0.481) 2.500 2.355 ( 0.456 5.712 -1.293) 5.874 2.422 ( 0.718 0.174 0.316) 0.803 2.492 ( 0.985 0.466 3.459) 3.626 2.595 ( -2.362 -8.066 5.122) 9.842 2.699 ( -0.512 2.171 -2.019) 3.009 2.775 ( -0.254 -4.833 -3.913) 6.223 2.839 ( 0.768 0.140 0.599) 0.984 2.892 ( -0.174 -4.127 -2.909) 5.052 3.371 ( -0.003 4.671 3.695) 5.955 3.453 ( 0.785 -3.426 4.147) 5.436 3.711 ( -2.267 5.958 -3.660) 7.351 3.769 ( -2.187 0.091 -4.429) 4.941 4.288 ( 0.076 6.482 3.192) 7.226 4.327 ( -0.303 2.569 3.357) 4.238 4.480 ( 1.764 4.711 -1.369) 5.213 4.492 ( 1.588 3.570 -2.540) 4.660 5.319 ( -0.430 1.237 -0.228) 1.330 5.329 ( -1.070 0.302 0.084) 1.115 5.935 ( 0.865 2.113 -0.100) 2.285 5.967 ( 0.582 -0.892 0.080) 1.068 6.306 ( 0.142 8.225 0.305) 8.232 6.475 ( 0.472 -7.734 0.136) 7.749 6.532 ( 0.186 3.720 0.781) 3.805 6.550 ( 0.204 1.136 0.048) 1.156 6.601 ( -0.681 0.633 -0.427) 1.024 6.606 ( -1.191 0.701 -0.143) 1.389 6.662 ( -0.498 1.236 0.167) 1.343 6.733 ( -0.801 -4.307 -0.491) 4.408 6.893 ( 0.466 2.399 1.626) 2.935 6.934 ( 0.478 -0.814 -1.255) 1.571 7.093 ( -0.069 -0.444 -0.294) 0.537 7.128 ( 0.503 -2.854 -0.384) 2.923 7.328 ( 0.182 3.333 -0.490) 3.374 7.372 ( 0.986 -0.959 -0.844) 1.614 7.470 ( 1.249 3.574 0.204) 3.791 7.522 ( -1.619 -0.423 1.337) 2.142 7.651 ( -0.022 0.493 0.171) 0.522 7.718 ( -1.801 -5.301 0.149) 5.600 8.166 ( 3.640 5.392 1.583) 6.695 8.238 ( 3.552 -0.545 0.966) 3.721 8.305 ( 4.608 3.413 -2.146) 6.123 8.396 ( -1.522 -5.278 -0.261) 5.499 8.456 ( -3.651 2.684 -1.572) 4.796 8.509 ( -3.442 -2.897 -1.243) 4.667 8.701 ( -1.054 3.034 1.163) 3.415 8.752 ( -1.278 -2.066 1.626) 2.923 9.270 ( 2.692 1.589 -1.786) 3.601 9.284 ( 0.650 0.092 1.401) 1.547 9.378 ( -1.451 5.794 0.027) 5.973 9.516 ( -1.098 -7.286 -0.129) 7.369 9.909 ( 0.177 -0.791 0.042) 0.812 9.922 ( 0.220 -2.001 -0.079) 2.014 ======================= Grid point 65 (22/91) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( 0.858 0.000 21.898) 21.915 0.461 ( 4.571 0.000 23.024) 23.473 0.875 ( -3.161 0.000 44.630) 44.742 1.017 ( -0.792 0.000 -0.725) 1.074 1.537 ( 0.394 0.000 -10.764) 10.772 1.548 ( -6.166 0.000 -17.818) 18.855 1.698 ( -4.918 0.000 -11.142) 12.179 1.853 ( -3.094 0.000 5.363) 6.192 1.923 ( 3.605 0.000 -1.667) 3.972 2.041 ( -0.552 0.000 -0.347) 0.652 2.066 ( 0.760 0.000 1.291) 1.498 2.106 ( 6.721 0.000 5.084) 8.427 2.212 ( -0.680 0.000 -0.398) 0.788 2.273 ( 11.372 0.000 7.611) 13.684 2.354 ( 2.780 0.000 -0.696) 2.866 2.707 ( -3.816 0.000 -9.345) 10.094 2.851 ( -11.391 0.000 -5.445) 12.625 3.156 ( 2.784 0.000 -24.306) 24.465 3.448 ( 0.964 0.000 3.592) 3.719 3.493 ( -0.243 0.000 0.784) 0.821 3.767 ( 0.960 0.000 6.445) 6.517 3.862 ( 5.960 0.000 10.791) 12.327 4.106 ( -2.444 0.000 5.579) 6.091 4.509 ( -2.312 0.000 -4.626) 5.172 5.295 ( 0.426 0.000 1.901) 1.948 5.465 ( -4.571 0.000 -0.963) 4.672 5.528 ( 0.331 0.000 -0.451) 0.559 5.756 ( 0.876 0.000 1.693) 1.906 6.024 ( 1.404 0.000 1.691) 2.198 6.038 ( -3.524 0.000 -3.132) 4.715 6.135 ( 2.593 0.000 -0.875) 2.737 6.243 ( 2.278 0.000 2.479) 3.366 6.330 ( -11.953 0.000 2.342) 12.180 6.480 ( 2.321 0.000 1.376) 2.698 6.647 ( 7.463 0.000 -3.870) 8.407 6.665 ( -3.781 0.000 -3.091) 4.884 6.725 ( 1.227 0.000 0.210) 1.245 6.785 ( 16.669 0.000 2.527) 16.859 6.888 ( 0.764 0.000 1.513) 1.695 7.005 ( 0.267 0.000 -6.607) 6.612 7.018 ( -0.686 0.000 -0.188) 0.711 7.074 ( -2.018 0.000 3.799) 4.302 7.257 ( -1.257 0.000 3.697) 3.905 7.352 ( 0.529 0.000 -0.694) 0.873 7.454 ( -0.352 0.000 0.272) 0.444 7.527 ( 0.010 0.000 0.041) 0.042 7.598 ( -2.333 0.000 0.379) 2.364 7.710 ( -2.487 0.000 -7.449) 7.854 7.983 ( -5.001 0.000 6.163) 7.936 8.055 ( 4.264 0.000 1.639) 4.568 8.507 ( -1.662 0.000 -0.303) 1.689 8.616 ( 10.259 0.000 0.964) 10.304 8.676 ( 0.856 0.000 -2.507) 2.649 9.014 ( 2.689 0.000 -3.176) 4.161 9.196 ( 2.238 0.000 0.654) 2.332 9.253 ( -3.084 0.000 -6.967) 7.619 9.710 ( -10.426 0.000 10.151) 14.552 10.230 ( 1.679 0.000 -0.504) 1.753 10.720 ( -1.273 0.000 0.326) 1.314 10.903 ( 1.383 0.000 -2.163) 2.567 ======================= Grid point 66 (23/91) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 5.934 0.000 15.811) 16.888 0.750 ( 11.783 0.000 19.220) 22.545 1.008 ( 0.005 0.000 1.181) 1.181 1.293 ( 3.655 0.000 3.750) 5.236 1.380 ( 5.828 0.000 2.101) 6.195 1.449 ( -1.091 0.000 -12.633) 12.680 1.598 ( 6.536 0.000 5.430) 8.497 1.805 ( -4.359 0.000 3.908) 5.854 1.990 ( 3.234 0.000 -0.283) 3.246 2.047 ( 1.403 0.000 -0.018) 1.403 2.088 ( 0.486 0.000 0.098) 0.495 2.159 ( -2.095 0.000 -4.826) 5.261 2.188 ( -1.455 0.000 0.079) 1.457 2.247 ( -11.447 0.000 -2.826) 11.791 2.515 ( 0.819 0.000 0.953) 1.257 2.625 ( 9.799 0.000 4.572) 10.813 2.688 ( -2.919 0.000 -9.833) 10.257 2.978 ( -15.727 0.000 -10.148) 18.717 3.283 ( 2.042 0.000 -14.715) 14.856 3.668 ( 5.366 0.000 7.419) 9.156 3.843 ( 2.720 0.000 4.058) 4.886 3.990 ( 0.491 0.000 8.425) 8.439 4.166 ( 4.150 0.000 7.057) 8.186 4.391 ( -6.156 0.000 -7.679) 9.842 5.321 ( 1.406 0.000 3.037) 3.346 5.404 ( -3.040 0.000 -2.018) 3.649 5.523 ( -0.379 0.000 -0.570) 0.684 5.802 ( 2.381 0.000 2.128) 3.193 5.958 ( -2.863 0.000 -2.124) 3.565 6.028 ( -1.010 0.000 0.463) 1.111 6.141 ( -3.162 0.000 0.548) 3.209 6.174 ( -4.154 0.000 3.418) 5.379 6.298 ( 2.223 0.000 1.459) 2.659 6.521 ( -0.818 0.000 0.826) 1.163 6.585 ( -1.123 0.000 -1.994) 2.288 6.705 ( 2.553 0.000 -1.399) 2.911 6.753 ( 2.014 0.000 -0.587) 2.098 6.838 ( -8.283 0.000 0.044) 8.283 6.904 ( -0.432 0.000 1.484) 1.546 6.962 ( 4.227 0.000 -8.160) 9.190 7.003 ( -0.545 0.000 -0.188) 0.576 7.173 ( 6.541 0.000 1.383) 6.686 7.301 ( -0.091 0.000 2.963) 2.965 7.357 ( 0.442 0.000 -0.856) 0.964 7.450 ( -0.249 0.000 0.419) 0.487 7.501 ( -6.270 0.000 1.397) 6.424 7.529 ( 0.135 0.000 0.033) 0.139 7.688 ( 4.195 0.000 -5.977) 7.303 7.906 ( -4.617 0.000 2.137) 5.088 8.184 ( 6.032 0.000 5.035) 7.857 8.457 ( -2.257 0.000 2.677) 3.501 8.574 ( -6.977 0.000 -0.724) 7.014 8.741 ( 1.314 0.000 -0.437) 1.385 9.037 ( 1.530 0.000 -3.388) 3.717 9.179 ( 2.491 0.000 -8.676) 9.026 9.343 ( 6.260 0.000 -0.852) 6.317 9.708 ( 1.770 0.000 7.065) 7.284 10.252 ( 0.784 0.000 -0.063) 0.787 10.658 ( -5.412 0.000 0.299) 5.420 10.805 ( -6.173 0.000 3.410) 7.053 ======================= Grid point 67 (24/91) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -3.251 0.000 5.645) 6.514 1.047 ( 0.578 0.000 7.055) 7.078 1.064 ( -5.452 0.000 5.418) 7.686 1.158 ( 9.237 0.000 1.665) 9.386 1.379 ( 3.863 0.000 -12.289) 12.882 1.519 ( 12.947 0.000 -6.509) 14.491 1.764 ( -2.463 0.000 4.334) 4.984 1.908 ( -12.153 0.000 -2.480) 12.404 2.011 ( -0.010 0.000 -1.993) 1.993 2.072 ( -1.212 0.000 -1.531) 1.952 2.088 ( 4.938 0.000 -2.531) 5.549 2.098 ( 3.122 0.000 0.219) 3.129 2.170 ( -1.101 0.000 1.801) 2.111 2.173 ( 15.117 0.000 17.968) 23.481 2.368 ( -24.723 0.000 -0.907) 24.740 2.509 ( -7.309 0.000 -13.600) 15.440 2.656 ( 0.680 0.000 1.528) 1.673 2.924 ( 11.659 0.000 6.548) 13.372 3.293 ( 6.331 0.000 -16.617) 17.782 3.727 ( -3.169 0.000 6.061) 6.840 3.920 ( 2.506 0.000 2.775) 3.738 4.028 ( -0.926 0.000 6.361) 6.428 4.121 ( -9.400 0.000 -13.961) 16.831 4.365 ( 5.376 0.000 8.794) 10.307 5.316 ( -2.970 0.000 -3.109) 4.300 5.412 ( 4.406 0.000 6.090) 7.516 5.512 ( -0.185 0.000 -0.785) 0.806 5.827 ( -0.967 0.000 -1.907) 2.139 5.944 ( 1.716 0.000 4.308) 4.637 5.971 ( -4.343 0.000 -2.079) 4.816 6.107 ( 0.523 0.000 0.279) 0.592 6.173 ( -0.591 0.000 5.161) 5.195 6.338 ( 0.820 0.000 0.850) 1.181 6.442 ( -3.011 0.000 -5.934) 6.654 6.616 ( 1.494 0.000 3.616) 3.912 6.708 ( -3.858 0.000 -1.401) 4.105 6.733 ( -0.856 0.000 0.092) 0.861 6.792 ( 2.462 0.000 -0.687) 2.556 6.882 ( -2.414 0.000 0.185) 2.421 6.952 ( 2.521 0.000 -9.564) 9.891 7.004 ( 0.338 0.000 0.876) 0.939 7.245 ( -4.024 0.000 -1.435) 4.272 7.280 ( 2.103 0.000 -2.156) 3.012 7.356 ( 0.199 0.000 -1.235) 1.251 7.446 ( -0.492 0.000 4.392) 4.420 7.451 ( -0.037 0.000 0.737) 0.738 7.531 ( 0.065 0.000 0.007) 0.066 7.762 ( 5.164 0.000 -1.436) 5.360 7.854 ( -1.919 0.000 1.576) 2.483 8.330 ( 5.580 0.000 4.874) 7.409 8.413 ( -8.368 0.000 1.759) 8.551 8.456 ( -1.033 0.000 1.235) 1.610 8.746 ( -0.682 0.000 0.630) 0.929 9.028 ( 0.925 0.000 -5.542) 5.619 9.173 ( 0.340 0.000 -2.347) 2.372 9.410 ( 2.217 0.000 -1.234) 2.537 9.812 ( 5.505 0.000 2.622) 6.098 10.257 ( -0.023 0.000 -0.721) 0.722 10.558 ( -5.136 0.000 0.670) 5.180 10.740 ( -3.206 0.000 2.464) 4.044 ======================= Grid point 68 (25/91) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( -12.466 0.000 4.931) 13.406 0.783 ( -18.048 0.000 1.132) 18.083 1.065 ( -1.805 0.000 2.960) 3.467 1.452 ( 9.001 0.000 -7.741) 11.872 1.497 ( 11.086 0.000 7.372) 13.313 1.687 ( -27.848 0.000 8.475) 29.109 1.739 ( -2.126 0.000 2.070) 2.967 1.773 ( -0.042 0.000 5.656) 5.657 1.808 ( 9.904 0.000 -9.633) 13.817 1.968 ( -1.873 0.000 -4.462) 4.839 2.040 ( -2.180 0.000 -10.732) 10.951 2.051 ( -0.429 0.000 0.129) 0.448 2.121 ( -1.191 0.000 -0.398) 1.256 2.182 ( 1.324 0.000 1.710) 2.162 2.311 ( -0.777 0.000 -11.304) 11.331 2.679 ( 0.169 0.000 5.699) 5.701 2.781 ( 19.786 0.000 15.859) 25.357 3.157 ( 9.121 0.000 -1.722) 9.282 3.296 ( 4.436 0.000 -6.511) 7.879 3.637 ( -9.380 0.000 3.064) 9.868 3.803 ( -9.790 0.000 -19.286) 21.628 3.945 ( -2.528 0.000 3.461) 4.285 4.079 ( 0.535 0.000 7.067) 7.087 4.507 ( 3.658 0.000 5.036) 6.224 5.261 ( -0.818 0.000 -1.512) 1.719 5.510 ( 0.509 0.000 -0.831) 0.975 5.572 ( 6.835 0.000 9.956) 12.077 5.781 ( -1.976 0.000 -1.353) 2.395 5.857 ( -4.358 0.000 -8.067) 9.168 6.033 ( 3.145 0.000 6.056) 6.824 6.137 ( 1.622 0.000 -0.282) 1.646 6.219 ( 1.441 0.000 8.563) 8.683 6.289 ( -4.429 0.000 -3.346) 5.551 6.409 ( 2.142 0.000 -3.330) 3.959 6.625 ( -3.303 0.000 -2.668) 4.245 6.663 ( 1.138 0.000 3.259) 3.452 6.719 ( -0.351 0.000 -3.307) 3.325 6.825 ( -3.093 0.000 -1.246) 3.334 6.831 ( 1.696 0.000 0.267) 1.717 6.957 ( 4.026 0.000 -8.136) 9.077 7.019 ( 0.341 0.000 1.072) 1.125 7.113 ( -5.459 0.000 -5.941) 8.068 7.293 ( 0.676 0.000 -0.108) 0.684 7.351 ( 0.173 0.000 -1.260) 1.272 7.456 ( -0.042 0.000 0.744) 0.745 7.517 ( 2.530 0.000 7.248) 7.677 7.531 ( -0.107 0.000 -0.002) 0.107 7.825 ( 1.674 0.000 -0.202) 1.686 7.864 ( 2.199 0.000 0.330) 2.224 8.226 ( -10.827 0.000 3.284) 11.314 8.442 ( -1.869 0.000 1.369) 2.316 8.492 ( 6.509 0.000 3.541) 7.410 8.719 ( -2.425 0.000 -0.028) 2.426 9.012 ( 1.885 0.000 -7.633) 7.862 9.162 ( -1.313 0.000 2.455) 2.784 9.422 ( 0.617 0.000 -2.967) 3.031 9.936 ( 5.890 0.000 1.021) 5.978 10.238 ( -0.761 0.000 -3.572) 3.653 10.492 ( -2.836 0.000 5.522) 6.208 10.716 ( -0.723 0.000 1.374) 1.553 ======================= Grid point 69 (26/91) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( -12.606 0.000 14.369) 19.115 0.463 ( -17.753 0.000 10.688) 20.722 1.041 ( -1.447 0.000 -0.022) 1.447 1.049 ( -35.303 0.000 26.329) 44.040 1.546 ( 5.437 0.000 -8.105) 9.760 1.738 ( 1.393 0.000 -15.152) 15.216 1.775 ( 2.119 0.000 0.720) 2.238 1.826 ( 0.978 0.000 6.590) 6.662 1.913 ( -0.494 0.000 -3.908) 3.939 1.968 ( 10.667 0.000 2.489) 10.953 1.990 ( 4.824 0.000 -4.731) 6.757 2.050 ( 0.021 0.000 0.542) 0.543 2.078 ( -2.533 0.000 -0.235) 2.544 2.212 ( 0.762 0.000 0.422) 0.871 2.322 ( 5.128 0.000 -4.159) 6.602 2.712 ( 0.832 0.000 4.384) 4.462 3.067 ( -1.036 0.000 -0.657) 1.227 3.212 ( 6.496 0.000 -12.211) 13.831 3.375 ( 1.774 0.000 -8.826) 9.002 3.489 ( -5.391 0.000 10.391) 11.706 3.645 ( 5.661 0.000 -2.759) 6.297 3.869 ( -7.709 0.000 3.499) 8.466 4.123 ( -1.178 0.000 5.884) 6.001 4.550 ( -0.270 0.000 -0.477) 0.548 5.266 ( 1.241 0.000 0.532) 1.350 5.519 ( 0.850 0.000 -0.652) 1.071 5.655 ( -7.321 0.000 -10.155) 12.519 5.750 ( -0.860 0.000 0.344) 0.927 5.832 ( 9.796 0.000 11.553) 15.147 6.101 ( -0.843 0.000 2.698) 2.827 6.138 ( -0.614 0.000 -2.536) 2.609 6.205 ( -0.606 0.000 -1.964) 2.055 6.356 ( 7.247 0.000 12.833) 14.738 6.436 ( 2.254 0.000 -1.128) 2.520 6.524 ( -6.315 0.000 -4.293) 7.636 6.679 ( -0.204 0.000 -3.606) 3.611 6.699 ( 0.942 0.000 1.803) 2.034 6.751 ( -3.661 0.000 -1.803) 4.081 6.862 ( 1.278 0.000 0.685) 1.450 6.974 ( 3.301 0.000 -8.130) 8.775 7.026 ( -0.161 0.000 0.495) 0.521 7.053 ( 1.381 0.000 1.951) 2.390 7.308 ( -0.521 0.000 0.822) 0.973 7.349 ( 0.366 0.000 -0.946) 1.014 7.457 ( -0.227 0.000 0.476) 0.527 7.528 ( -0.137 0.000 0.020) 0.138 7.598 ( 1.563 0.000 2.859) 3.258 7.808 ( -2.265 0.000 -4.182) 4.756 7.931 ( 4.503 0.000 1.000) 4.613 8.071 ( -7.574 0.000 5.963) 9.640 8.413 ( -1.553 0.000 4.641) 4.894 8.595 ( 1.063 0.000 0.550) 1.197 8.675 ( -0.796 0.000 -0.175) 0.815 9.000 ( 2.052 0.000 -6.795) 7.098 9.164 ( -0.839 0.000 4.542) 4.619 9.387 ( -1.503 0.000 -7.583) 7.730 9.942 ( -6.841 0.000 -8.492) 10.905 10.204 ( 1.058 0.000 -2.109) 2.359 10.622 ( 11.323 0.000 16.698) 20.175 10.724 ( 0.475 0.000 1.359) 1.440 ======================= Grid point 70 (27/91) ======================= q-point: ( 0.00 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 5.955 12.023 16.316) 21.124 0.639 ( -3.855 14.403 17.534) 23.016 1.211 ( -1.243 28.031 27.245) 39.110 1.240 ( -0.736 19.736 -0.161) 19.750 1.546 ( -5.914 0.930 -15.404) 16.526 1.611 ( -0.517 5.384 -8.959) 10.465 1.763 ( -2.648 7.204 -10.828) 13.272 1.934 ( -0.852 6.254 3.884) 7.411 2.013 ( 2.837 7.808 -0.716) 8.338 2.071 ( 3.457 1.780 1.706) 4.246 2.165 ( 0.200 8.005 1.537) 8.154 2.222 ( 3.470 10.777 4.221) 12.083 2.271 ( -0.304 6.777 -0.652) 6.816 2.318 ( 3.674 4.207 0.463) 5.604 2.364 ( 6.887 3.528 3.121) 8.343 2.695 ( -2.503 -0.982 -8.223) 8.651 2.860 ( -11.690 1.207 -4.427) 12.559 3.170 ( 2.700 1.348 -21.311) 21.523 3.449 ( 0.222 0.179 3.756) 3.767 3.467 ( 0.901 -1.631 0.697) 1.989 3.734 ( -0.554 -2.854 5.354) 6.092 3.843 ( 5.540 -1.228 9.506) 11.071 4.072 ( -1.329 -3.071 5.325) 6.289 4.463 ( -2.457 -4.490 -3.978) 6.483 5.282 ( 0.378 -0.948 1.460) 1.781 5.409 ( -2.226 -4.121 -0.349) 4.697 5.700 ( 0.821 11.001 -0.155) 11.033 5.744 ( 1.493 2.239 2.663) 3.787 6.011 ( -1.458 -1.290 -4.477) 4.882 6.105 ( 0.848 1.747 -1.765) 2.624 6.242 ( -2.600 4.416 2.336) 5.632 6.319 ( 1.797 4.906 2.390) 5.745 6.384 ( -6.852 5.856 -4.303) 9.988 6.542 ( 1.444 5.191 0.797) 5.447 6.634 ( 3.453 -0.601 -2.616) 4.373 6.680 ( -1.528 0.865 -3.264) 3.706 6.736 ( 2.099 1.904 1.465) 3.191 6.880 ( 7.749 5.257 -4.747) 10.498 6.899 ( 1.082 0.281 -1.099) 1.568 6.967 ( -1.600 1.578 -0.614) 2.329 7.041 ( 1.744 -2.556 0.925) 3.229 7.104 ( 1.621 2.628 0.290) 3.101 7.312 ( 0.624 4.267 -0.100) 4.313 7.362 ( -1.970 2.576 0.352) 3.262 7.455 ( -1.393 0.982 2.585) 3.096 7.553 ( -0.026 2.906 0.135) 2.910 7.650 ( -2.345 4.927 0.177) 5.459 7.739 ( -2.519 2.921 -7.086) 8.068 8.000 ( -7.118 0.227 3.039) 7.743 8.050 ( 5.776 1.000 3.815) 6.994 8.569 ( -2.925 0.841 0.088) 3.044 8.631 ( 1.641 1.370 -3.050) 3.724 8.774 ( 10.036 7.908 -10.470) 16.519 8.984 ( 2.588 -2.877 -3.078) 4.944 9.171 ( 3.096 -2.988 4.622) 6.315 9.225 ( -4.670 -1.854 -9.880) 11.084 9.669 ( -8.065 -3.638 10.909) 14.045 10.190 ( 1.550 -3.909 -0.731) 4.268 10.629 ( -0.035 -13.294 7.969) 15.500 10.671 ( -0.108 -7.933 3.254) 8.575 ======================= Grid point 71 (28/91) ======================= q-point: ( 0.20 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 8.652 10.486 15.289) 20.458 0.901 ( 13.689 11.824 12.937) 22.239 1.217 ( -2.447 19.774 0.855) 19.943 1.322 ( -3.522 2.662 -10.790) 11.659 1.452 ( 3.625 8.374 -2.818) 9.550 1.629 ( -2.931 11.108 -11.321) 16.129 1.649 ( 10.793 10.859 17.651) 23.366 1.917 ( -2.667 9.772 4.387) 11.038 2.067 ( 3.287 5.325 -0.695) 6.296 2.117 ( 0.724 4.167 -1.794) 4.595 2.147 ( -3.890 4.936 0.359) 6.294 2.219 ( -3.808 5.197 -1.535) 6.623 2.258 ( -0.050 9.908 -1.262) 9.988 2.314 ( -3.643 7.290 -0.566) 8.169 2.521 ( -0.216 0.963 -1.447) 1.752 2.644 ( 10.389 2.139 3.932) 11.312 2.697 ( -3.902 1.485 -6.390) 7.633 2.999 ( -15.128 2.317 -9.005) 17.757 3.303 ( 2.135 1.932 -13.897) 14.192 3.631 ( 4.540 -3.379 7.050) 9.041 3.800 ( 2.936 -3.683 3.506) 5.871 3.961 ( 0.813 -2.647 7.180) 7.695 4.138 ( 3.878 -2.646 6.720) 8.198 4.352 ( -5.736 -3.770 -6.492) 9.448 5.296 ( 0.379 -1.580 2.619) 3.082 5.362 ( -2.687 -3.455 -1.650) 4.678 5.697 ( -0.456 13.288 -0.740) 13.316 5.811 ( 3.039 -0.018 3.368) 4.536 5.943 ( -2.446 0.075 -4.448) 5.077 6.107 ( 0.488 1.568 -0.805) 1.829 6.181 ( -5.397 3.132 1.062) 6.330 6.250 ( -3.904 11.313 -0.102) 11.968 6.371 ( 1.727 4.745 2.784) 5.766 6.558 ( -2.104 2.662 -0.626) 3.450 6.599 ( -0.302 1.511 -0.685) 1.686 6.709 ( 2.927 0.403 -1.808) 3.464 6.772 ( 1.561 2.106 0.564) 2.681 6.836 ( -4.448 -0.760 -2.616) 5.216 6.926 ( -1.115 1.366 -0.526) 1.840 6.931 ( 0.030 1.572 -2.946) 3.340 7.108 ( -0.263 5.727 -0.790) 5.788 7.137 ( 5.817 -3.020 0.847) 6.609 7.327 ( -0.354 2.404 -0.271) 2.445 7.346 ( -0.443 1.048 1.538) 1.913 7.424 ( -3.234 0.026 3.000) 4.411 7.555 ( 0.047 2.900 0.183) 2.906 7.620 ( -1.885 8.789 0.243) 8.992 7.699 ( 4.105 1.097 -5.668) 7.084 7.902 ( -4.681 -0.486 1.628) 4.980 8.194 ( 6.444 1.166 4.608) 8.007 8.519 ( -1.868 3.985 -0.070) 4.402 8.580 ( -5.398 -0.064 -0.442) 5.417 8.767 ( -2.562 2.992 -2.191) 4.508 9.009 ( 1.644 -2.677 -2.880) 4.262 9.153 ( 1.480 -2.607 -7.398) 7.982 9.300 ( 6.787 -3.804 -1.376) 7.901 9.680 ( 1.279 -2.686 7.655) 8.213 10.207 ( 0.617 -4.297 -0.367) 4.357 10.593 ( -4.523 -6.331 1.507) 7.925 10.680 ( -2.371 -9.719 4.540) 10.986 ======================= Grid point 72 (29/91) ======================= q-point: ( 0.40 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 1.543 15.126 3.928) 15.703 1.143 ( -9.900 11.207 -0.070) 14.954 1.186 ( 0.767 10.616 2.153) 10.860 1.219 ( 13.191 9.103 9.309) 18.534 1.514 ( 7.235 9.647 -12.359) 17.268 1.560 ( 6.520 6.127 -6.675) 11.162 1.852 ( -2.900 3.947 1.919) 5.260 1.937 ( -8.625 6.126 -0.881) 10.616 2.034 ( 2.815 5.674 8.003) 10.206 2.099 ( -1.553 1.457 -7.948) 8.228 2.144 ( -0.291 7.636 -0.321) 7.648 2.199 ( 3.644 6.443 3.772) 8.308 2.239 ( -1.285 9.133 -0.238) 9.226 2.340 ( 4.417 9.959 7.706) 13.344 2.427 ( -5.871 6.134 -2.352) 8.811 2.547 ( -13.927 5.842 -6.463) 16.427 2.670 ( -1.028 1.939 0.615) 2.279 2.919 ( 11.274 -0.257 6.577) 13.055 3.307 ( 5.667 1.538 -15.704) 16.766 3.684 ( -2.812 -4.170 5.360) 7.350 3.875 ( 2.416 -3.975 2.665) 5.361 3.996 ( -0.973 -3.185 4.339) 5.470 4.095 ( -8.242 -2.247 -11.732) 14.513 4.334 ( 4.724 -3.015 8.522) 10.199 5.285 ( -2.519 -2.077 -2.124) 3.895 5.357 ( 2.473 -4.037 4.589) 6.593 5.686 ( 0.137 12.978 -1.031) 13.020 5.859 ( -3.560 -0.606 -2.906) 4.635 5.886 ( 2.832 1.084 0.692) 3.110 6.090 ( -3.324 2.584 3.520) 5.488 6.137 ( 2.402 6.204 -1.736) 6.875 6.226 ( -0.299 8.066 2.768) 8.534 6.399 ( -1.153 2.948 1.902) 3.694 6.486 ( -1.398 3.962 -5.309) 6.770 6.609 ( -0.839 -0.169 0.947) 1.277 6.714 ( -0.750 0.792 0.239) 1.116 6.779 ( -0.232 4.556 1.011) 4.673 6.821 ( 2.159 2.123 0.532) 3.075 6.883 ( -2.230 0.491 -1.888) 2.963 6.917 ( 1.766 -0.663 -5.238) 5.567 7.080 ( -2.068 4.139 -0.423) 4.646 7.233 ( 2.545 -0.982 0.093) 2.729 7.294 ( -1.108 2.328 -3.486) 4.336 7.314 ( -2.168 -1.915 -1.752) 3.382 7.412 ( -0.495 0.750 4.507) 4.596 7.555 ( -0.093 2.848 0.071) 2.851 7.613 ( 0.789 9.395 1.518) 9.550 7.779 ( 5.000 1.477 -0.233) 5.219 7.851 ( -1.396 0.054 0.889) 1.656 8.334 ( 3.959 0.300 4.390) 5.919 8.448 ( -6.584 3.250 1.766) 7.552 8.503 ( 0.085 3.480 -1.583) 3.824 8.722 ( -2.276 -1.860 0.933) 3.084 9.006 ( 0.891 -2.116 -4.636) 5.174 9.142 ( 0.323 -3.019 -2.482) 3.922 9.376 ( 2.918 -3.207 -2.074) 4.806 9.774 ( 4.282 -3.564 3.941) 6.824 10.205 ( -0.366 -4.808 -0.990) 4.922 10.513 ( -4.446 -4.308 0.538) 6.214 10.658 ( -2.054 -7.549 2.675) 8.268 ======================= Grid point 73 (30/91) ======================= q-point: (-0.40 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -13.475 9.732 -2.336) 16.785 0.964 ( -11.336 21.522 3.863) 24.630 1.252 ( 0.683 16.463 3.519) 16.849 1.536 ( 12.866 3.635 7.237) 15.202 1.567 ( 7.773 10.285 -8.014) 15.180 1.713 ( -9.499 0.826 2.421) 9.837 1.769 ( -19.632 8.435 7.527) 22.654 1.788 ( 9.016 0.503 -8.701) 12.540 1.910 ( 0.821 10.633 3.169) 11.125 2.020 ( -2.113 0.631 -6.641) 6.997 2.086 ( -0.446 8.654 -5.306) 10.161 2.215 ( -2.241 8.292 0.351) 8.597 2.224 ( 0.192 12.042 0.412) 12.050 2.260 ( 1.952 8.273 0.143) 8.502 2.353 ( -2.771 5.384 -11.656) 13.135 2.677 ( -0.165 0.146 5.676) 5.680 2.815 ( 17.463 3.611 14.462) 22.960 3.147 ( 8.607 -0.918 0.612) 8.677 3.304 ( 3.813 0.968 -7.045) 8.069 3.600 ( -8.436 -3.409 2.139) 9.347 3.796 ( -8.591 -0.600 -17.290) 19.316 3.905 ( -2.187 -3.638 3.488) 5.494 4.048 ( 0.221 -2.890 5.702) 6.396 4.463 ( 3.143 -4.227 5.039) 7.290 5.243 ( -0.527 -1.118 -0.995) 1.587 5.444 ( 2.282 -7.116 5.486) 9.270 5.691 ( 1.017 11.964 -1.170) 12.064 5.760 ( -4.037 1.122 -3.707) 5.594 5.946 ( 3.844 0.883 -0.892) 4.043 6.084 ( 0.056 4.492 3.013) 5.409 6.197 ( 3.774 5.053 0.711) 6.347 6.273 ( 2.627 7.200 4.517) 8.896 6.343 ( -2.799 4.667 -1.778) 5.725 6.473 ( 1.742 3.821 -1.988) 4.646 6.570 ( -1.943 -1.975 -2.803) 3.941 6.725 ( 0.375 3.675 1.466) 3.974 6.784 ( -0.059 5.936 0.921) 6.007 6.815 ( -3.228 -0.688 -0.706) 3.375 6.869 ( 2.021 3.680 -0.762) 4.267 6.933 ( 3.633 -0.956 -6.907) 7.863 7.031 ( -2.337 0.730 -0.585) 2.517 7.169 ( -4.694 4.067 -2.702) 6.773 7.297 ( 0.971 0.623 -0.733) 1.367 7.307 ( 2.181 -1.764 -1.725) 3.293 7.438 ( -0.085 0.682 4.015) 4.074 7.554 ( -0.089 2.653 0.022) 2.654 7.657 ( 1.792 9.015 3.154) 9.717 7.846 ( 1.358 1.493 1.622) 2.589 7.867 ( 2.550 0.799 0.193) 2.679 8.248 ( -9.709 1.809 2.962) 10.311 8.495 ( 1.228 3.568 -1.713) 4.144 8.521 ( 6.024 3.648 2.744) 7.559 8.681 ( -2.652 -3.397 0.456) 4.333 8.992 ( 1.501 -1.981 -6.895) 7.329 9.131 ( -1.194 -3.053 2.069) 3.877 9.394 ( 1.013 -2.696 -3.477) 4.515 9.870 ( 2.656 -5.997 2.980) 7.204 10.180 ( -0.917 -5.043 -2.684) 5.786 10.449 ( -2.974 -4.001 3.704) 6.211 10.649 ( -0.224 -6.286 1.423) 6.449 ======================= Grid point 74 (31/91) ======================= q-point: (-0.20 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -12.696 14.480 3.494) 19.572 0.758 ( -14.492 17.340 8.553) 24.163 1.255 ( -1.962 18.413 0.603) 18.527 1.271 ( -22.294 23.545 21.371) 38.834 1.628 ( 4.339 6.041 -9.857) 12.349 1.734 ( -0.602 1.983 -9.479) 9.703 1.778 ( 4.774 1.573 2.780) 5.744 1.890 ( 2.844 2.055 0.946) 3.634 1.965 ( 4.251 6.876 -1.215) 8.175 1.994 ( 4.078 1.247 -5.762) 7.168 2.091 ( 3.484 10.367 2.282) 11.172 2.182 ( -1.498 9.950 1.658) 10.197 2.223 ( -0.035 15.512 -1.562) 15.591 2.281 ( 1.199 6.788 -0.641) 6.923 2.325 ( 3.256 0.912 -3.845) 5.120 2.707 ( 0.419 -0.438 3.776) 3.824 3.064 ( -1.471 -0.206 -0.451) 1.552 3.207 ( 5.532 -0.299 -10.423) 11.804 3.380 ( 2.874 0.510 -5.862) 6.549 3.462 ( -4.785 -2.246 7.604) 9.261 3.658 ( 4.680 1.480 -2.999) 5.752 3.839 ( -6.924 -2.771 3.425) 8.207 4.076 ( -1.478 -3.874 5.325) 6.749 4.502 ( -0.384 -4.581 -0.008) 4.597 5.253 ( 1.468 -0.746 0.554) 1.738 5.464 ( -2.897 -7.691 1.558) 8.364 5.685 ( 0.213 4.899 -1.842) 5.238 5.719 ( 0.480 8.669 0.895) 8.728 6.017 ( 3.660 -1.300 -2.207) 4.467 6.102 ( 0.159 3.370 0.218) 3.380 6.257 ( -0.437 5.026 1.734) 5.334 6.275 ( 1.589 4.681 -0.303) 4.953 6.456 ( 8.917 7.303 6.640) 13.302 6.501 ( 1.162 5.147 -1.310) 5.436 6.515 ( 1.238 0.467 -6.813) 6.940 6.715 ( -1.306 3.290 -1.370) 3.795 6.748 ( -3.092 -0.514 -1.041) 3.302 6.794 ( 1.882 8.618 -1.065) 8.885 6.889 ( 0.997 1.374 -1.874) 2.529 6.947 ( 2.283 1.344 -3.168) 4.129 7.037 ( 3.035 0.046 -0.226) 3.044 7.085 ( -3.515 0.980 0.697) 3.715 7.306 ( 0.629 1.935 -0.936) 2.240 7.354 ( 3.005 0.509 -0.416) 3.076 7.453 ( -0.730 0.771 3.092) 3.269 7.553 ( -0.022 2.654 0.096) 2.656 7.695 ( -0.553 7.752 1.567) 7.928 7.827 ( -2.808 1.753 -3.165) 4.580 7.940 ( 4.257 -0.168 1.613) 4.556 8.108 ( -7.460 2.969 4.551) 9.230 8.526 ( 5.768 6.849 -2.839) 9.394 8.624 ( -0.867 1.616 -0.272) 1.854 8.657 ( 4.187 0.475 -0.180) 4.218 8.975 ( 1.553 -2.462 -6.402) 7.033 9.132 ( -0.803 -3.162 4.393) 5.472 9.361 ( -1.426 -2.361 -7.557) 8.044 9.834 ( -8.997 -8.575 0.507) 12.439 10.165 ( 1.431 -3.723 -1.740) 4.351 10.495 ( 2.758 -8.418 12.845) 15.603 10.661 ( 0.468 -5.853 0.835) 5.930 ======================= Grid point 75 (32/91) ======================= q-point: ( 0.00 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -0.044 17.080 9.717) 19.651 0.975 ( -0.128 18.373 9.398) 20.638 1.556 ( -4.924 4.119 -13.409) 14.867 1.671 ( 0.064 19.931 -0.759) 19.946 1.715 ( -3.021 7.881 -6.226) 10.488 1.855 ( 1.121 20.229 3.517) 20.563 1.985 ( -0.443 18.115 2.248) 18.259 2.046 ( 4.954 6.505 0.815) 8.217 2.123 ( 2.655 4.470 3.694) 6.378 2.217 ( 4.056 9.766 -1.015) 10.623 2.310 ( -0.122 6.911 2.276) 7.277 2.324 ( -0.737 0.923 -1.915) 2.250 2.407 ( -0.629 9.068 1.931) 9.293 2.519 ( 1.903 12.654 0.776) 12.819 2.664 ( 1.004 11.871 -4.384) 12.694 2.679 ( 0.489 9.370 -2.295) 9.659 2.916 ( -9.060 4.957 0.266) 10.331 3.204 ( 2.259 1.875 -12.063) 12.416 3.431 ( -2.039 -1.101 0.653) 2.407 3.464 ( 3.543 0.403 1.410) 3.834 3.673 ( -1.879 -2.342 2.721) 4.052 3.826 ( 3.987 -0.176 4.407) 5.946 3.995 ( 0.250 -4.000 4.399) 5.951 4.338 ( -2.685 -7.546 -1.864) 8.223 5.265 ( 0.393 -0.647 0.586) 0.957 5.336 ( -1.133 -2.598 -0.621) 2.902 5.754 ( 2.052 1.828 1.816) 3.294 5.925 ( -1.136 2.101 -1.234) 2.688 6.012 ( 0.631 4.785 -2.436) 5.406 6.142 ( -1.810 3.111 2.791) 4.555 6.323 ( -1.674 4.350 1.716) 4.967 6.407 ( 1.306 4.150 2.016) 4.795 6.502 ( -0.637 5.222 -1.956) 5.613 6.588 ( 3.975 -0.803 -0.287) 4.065 6.656 ( -3.873 -0.228 1.211) 4.064 6.707 ( 0.363 4.387 -3.874) 5.863 6.800 ( 1.758 4.057 2.184) 4.932 6.893 ( 0.539 0.558 -3.074) 3.170 6.958 ( -3.145 -1.879 0.124) 3.666 6.984 ( 2.908 4.555 -4.357) 6.941 7.085 ( 0.377 6.177 0.372) 6.200 7.145 ( 3.932 2.413 0.235) 4.620 7.389 ( -0.564 2.397 -0.285) 2.479 7.436 ( 1.509 4.684 0.078) 4.922 7.494 ( -1.319 2.234 3.778) 4.583 7.655 ( -0.024 7.331 0.157) 7.333 7.759 ( -4.682 4.706 -2.550) 7.112 7.836 ( -0.003 6.128 -1.738) 6.370 7.960 ( -2.635 -1.800 0.318) 3.207 8.146 ( 0.528 7.352 4.331) 8.549 8.505 ( -0.858 -5.455 0.830) 5.584 8.707 ( 0.377 4.345 -5.820) 7.273 8.883 ( 7.072 3.260 -9.362) 12.178 8.906 ( 2.419 -4.627 -2.335) 5.719 9.070 ( 1.606 -6.315 3.666) 7.477 9.202 ( -3.757 -0.560 -6.920) 7.894 9.580 ( -4.987 -4.925 10.601) 12.709 10.083 ( 1.254 -6.376 -1.287) 6.624 10.389 ( 0.381 -9.981 7.512) 12.498 10.507 ( -0.617 -9.353 0.050) 9.373 ======================= Grid point 76 (33/91) ======================= q-point: ( 0.20 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 8.754 13.616 9.555) 18.797 1.155 ( 11.673 13.951 9.570) 20.555 1.403 ( -2.308 6.005 -11.162) 12.884 1.615 ( -1.815 8.204 -5.106) 9.832 1.672 ( -0.848 21.600 -0.855) 21.634 1.860 ( 1.549 11.588 -11.485) 16.389 1.993 ( -2.497 13.748 3.892) 14.504 2.122 ( 0.825 3.320 -1.222) 3.633 2.163 ( 1.865 15.891 9.989) 18.862 2.230 ( -4.098 3.721 -3.405) 6.499 2.303 ( 0.616 11.551 5.751) 12.918 2.319 ( -0.543 6.209 0.767) 6.279 2.433 ( 2.294 5.069 -0.264) 5.570 2.571 ( 0.272 9.197 -2.438) 9.518 2.600 ( 1.011 11.147 -3.347) 11.682 2.719 ( 1.725 8.004 0.618) 8.211 2.818 ( -1.192 11.696 2.993) 12.131 3.083 ( -11.179 6.194 -4.783) 13.646 3.361 ( 2.361 3.780 -10.862) 11.741 3.540 ( 1.424 -5.562 5.185) 7.737 3.721 ( 3.307 -3.336 1.918) 5.074 3.895 ( 1.085 -3.635 2.437) 4.509 4.068 ( 3.061 -3.855 5.695) 7.527 4.252 ( -4.473 -5.754 -2.783) 7.802 5.267 ( -0.473 -1.424 1.423) 2.068 5.298 ( -2.162 -2.050 -1.344) 3.269 5.812 ( 2.058 0.515 2.472) 3.258 5.881 ( -1.672 1.503 -2.729) 3.536 5.999 ( -0.261 5.500 -2.270) 5.955 6.131 ( -1.482 4.230 3.936) 5.965 6.301 ( -0.547 6.545 -1.368) 6.709 6.433 ( -1.125 1.752 3.041) 3.685 6.474 ( -1.576 9.348 0.277) 9.484 6.589 ( -1.249 0.925 -1.060) 1.881 6.644 ( 0.579 1.817 1.268) 2.290 6.721 ( 2.513 1.079 -3.140) 4.164 6.814 ( -1.612 -0.081 -5.134) 5.382 6.845 ( 1.028 4.877 1.636) 5.246 6.958 ( -1.607 0.456 1.277) 2.103 6.994 ( 0.999 3.495 -3.024) 4.728 7.116 ( 4.063 2.426 -0.778) 4.796 7.188 ( -0.099 2.974 1.573) 3.366 7.352 ( -2.848 0.692 0.021) 2.931 7.442 ( -1.019 6.055 -0.580) 6.168 7.475 ( -3.165 4.957 4.591) 7.461 7.647 ( -0.742 6.091 0.092) 6.137 7.732 ( 3.649 2.653 -4.000) 6.030 7.821 ( -0.305 10.033 -0.507) 10.050 7.891 ( -3.201 -0.039 1.203) 3.420 8.243 ( 5.498 4.036 3.359) 7.603 8.492 ( -0.795 -5.256 -0.336) 5.326 8.643 ( -3.580 4.942 -1.958) 6.409 8.837 ( -5.374 2.993 -4.332) 7.524 8.935 ( 1.450 -4.504 -1.057) 4.848 9.072 ( 0.187 -5.378 -3.809) 6.593 9.223 ( 6.379 -3.026 -3.457) 7.861 9.607 ( 0.535 -4.357 8.317) 9.405 10.091 ( 0.383 -6.834 -1.091) 6.931 10.424 ( -1.052 -9.487 4.438) 10.526 10.483 ( -1.913 -9.777 0.690) 9.986 ======================= Grid point 77 (34/91) ======================= q-point: ( 0.40 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -3.730 10.876 -1.434) 11.587 1.308 ( 11.008 8.516 2.878) 14.212 1.464 ( 7.129 14.088 5.672) 16.777 1.599 ( -1.600 18.580 2.641) 18.834 1.643 ( 5.054 8.293 -6.061) 11.448 1.811 ( 2.105 12.911 -12.004) 17.754 1.892 ( -6.707 2.274 -0.415) 7.094 2.113 ( -0.590 2.218 -5.411) 5.877 2.126 ( -2.090 8.743 -3.272) 9.566 2.252 ( -2.266 12.068 5.454) 13.435 2.315 ( -0.692 7.238 2.891) 7.825 2.393 ( 4.277 13.647 3.879) 14.818 2.461 ( 1.885 8.587 -0.096) 8.792 2.484 ( -4.586 8.431 -8.482) 12.808 2.616 ( -4.734 14.000 4.716) 15.513 2.723 ( 0.576 7.143 5.598) 9.093 2.842 ( -6.737 16.423 -0.724) 17.766 2.942 ( 8.037 4.218 6.468) 11.146 3.358 ( 3.581 3.300 -11.907) 12.865 3.571 ( -1.182 -6.333 3.013) 7.112 3.782 ( 1.629 -4.790 1.730) 5.347 3.905 ( -0.938 -5.390 -1.152) 5.591 4.048 ( -5.005 -1.986 -5.597) 7.767 4.250 ( 2.927 -5.161 7.613) 9.652 5.249 ( -1.699 -1.496 -1.225) 2.573 5.282 ( 0.774 -2.726 2.411) 3.720 5.819 ( -1.852 0.755 -1.836) 2.715 5.869 ( 1.716 0.581 -0.210) 1.824 5.981 ( 0.087 5.441 -2.139) 5.847 6.138 ( -0.995 6.472 5.386) 8.479 6.293 ( 1.058 7.213 -2.152) 7.601 6.399 ( -3.036 0.031 1.884) 3.573 6.462 ( -0.414 9.632 2.627) 9.992 6.562 ( -1.218 3.091 -4.918) 5.935 6.644 ( -0.563 4.234 -1.882) 4.668 6.734 ( 2.264 0.553 1.666) 2.865 6.813 ( 1.966 -1.085 -4.379) 4.921 6.868 ( -0.065 2.349 0.937) 2.530 6.929 ( 0.126 3.161 -0.129) 3.166 6.986 ( -0.020 6.782 -0.610) 6.810 7.128 ( -4.008 2.184 1.091) 4.693 7.235 ( 4.062 0.467 -0.985) 4.205 7.313 ( 0.074 1.661 -0.598) 1.767 7.381 ( -4.302 5.558 -1.470) 7.180 7.463 ( -1.272 4.257 4.943) 6.647 7.634 ( -0.451 5.143 -0.329) 5.174 7.776 ( 1.894 3.771 -1.111) 4.364 7.844 ( 0.741 6.447 3.125) 7.202 7.885 ( 3.095 4.788 -0.885) 5.770 8.343 ( 0.644 0.782 3.601) 3.741 8.478 ( 1.291 -2.904 -1.508) 3.518 8.575 ( -1.921 5.013 -0.861) 5.437 8.717 ( -4.998 1.903 -0.191) 5.351 8.944 ( 0.529 -4.020 -1.722) 4.405 9.058 ( 0.434 -5.087 -3.273) 6.065 9.298 ( 3.866 -3.955 -3.475) 6.532 9.680 ( 1.718 -5.468 6.276) 8.499 10.082 ( -0.469 -7.049 -1.619) 7.248 10.396 ( -3.093 -6.981 0.216) 7.638 10.469 ( -0.554 -10.442 2.422) 10.734 ======================= Grid point 78 (35/91) ======================= q-point: (-0.40 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -8.023 14.175 -2.604) 16.494 1.349 ( -15.028 15.276 1.993) 21.522 1.562 ( 9.742 9.048 5.890) 14.542 1.685 ( 2.939 12.492 2.945) 13.167 1.765 ( 6.282 6.773 -12.312) 15.392 1.788 ( 1.780 7.292 3.332) 8.212 1.863 ( 7.276 7.713 -2.836) 10.976 2.032 ( -2.918 2.672 -9.023) 9.852 2.090 ( -5.012 13.146 0.019) 14.069 2.124 ( -7.417 17.228 2.634) 18.940 2.318 ( -1.305 11.486 3.211) 11.998 2.357 ( -0.837 6.707 -5.803) 8.908 2.423 ( -0.622 8.216 -0.197) 8.242 2.512 ( 1.126 16.645 0.193) 16.684 2.591 ( 1.074 13.571 -0.940) 13.645 2.711 ( -2.543 4.315 3.425) 6.068 2.945 ( 8.912 9.860 7.459) 15.241 3.127 ( 5.525 -1.040 6.235) 8.396 3.342 ( 1.974 2.744 -6.166) 7.032 3.522 ( -4.614 -3.454 -0.834) 5.824 3.778 ( -2.829 -1.828 -7.703) 8.407 3.819 ( -2.968 -3.745 -0.401) 4.795 3.984 ( -0.797 -2.549 1.740) 3.187 4.345 ( 1.864 -7.262 5.098) 9.066 5.228 ( 0.133 -0.317 -0.539) 0.639 5.323 ( 1.485 -4.438 2.336) 5.231 5.765 ( -1.992 1.687 -2.672) 3.735 5.901 ( 1.627 1.537 0.075) 2.239 5.982 ( 1.561 4.774 -2.189) 5.479 6.158 ( -1.198 6.486 6.130) 9.004 6.316 ( 2.053 5.829 -0.220) 6.184 6.366 ( -1.067 0.721 -0.554) 1.402 6.491 ( 0.941 6.163 3.485) 7.142 6.506 ( -0.229 1.821 -4.107) 4.499 6.631 ( 1.863 7.978 -3.882) 9.065 6.769 ( -1.785 -2.073 -1.081) 2.941 6.809 ( 1.120 3.327 1.479) 3.809 6.871 ( 0.544 0.767 -1.769) 2.003 6.962 ( 3.276 4.489 -1.582) 5.778 6.999 ( 0.797 7.185 -0.398) 7.240 7.048 ( -3.610 2.330 1.194) 4.459 7.206 ( -5.068 0.332 -1.418) 5.273 7.322 ( 0.292 2.109 -0.310) 2.151 7.367 ( 3.748 5.886 -1.522) 7.142 7.480 ( -0.589 3.416 4.640) 5.791 7.631 ( 0.406 4.940 -0.287) 4.965 7.806 ( 1.958 3.616 -0.407) 4.132 7.875 ( 1.422 3.667 2.267) 4.539 7.942 ( 0.527 6.620 1.955) 6.923 8.285 ( -6.362 1.643 2.524) 7.039 8.532 ( 0.765 -3.629 1.930) 4.181 8.573 ( 4.631 2.215 -6.483) 8.270 8.675 ( 1.121 5.365 1.945) 5.816 8.934 ( 0.499 -3.554 -4.473) 5.735 9.044 ( -0.920 -5.482 0.542) 5.585 9.326 ( 1.858 -3.597 -4.177) 5.817 9.725 ( -2.055 -7.751 6.139) 10.099 10.061 ( 0.025 -6.476 -2.255) 6.857 10.342 ( -2.632 -6.406 1.548) 7.097 10.483 ( 0.655 -9.612 1.268) 9.717 ======================= Grid point 79 (36/91) ======================= q-point: (-0.20 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -6.803 19.053 -0.049) 20.231 1.062 ( -15.920 14.420 8.361) 23.050 1.672 ( -0.164 20.427 0.121) 20.428 1.711 ( 0.664 3.643 -11.604) 12.181 1.753 ( 0.014 6.446 1.215) 6.560 1.871 ( -2.215 14.629 1.841) 14.910 1.928 ( 2.703 2.556 -1.504) 4.012 1.956 ( -0.514 21.477 9.702) 23.572 2.045 ( 6.255 7.686 -6.186) 11.681 2.144 ( 4.510 8.711 -3.151) 10.303 2.314 ( -1.577 10.711 3.516) 11.383 2.334 ( 1.699 1.535 -5.609) 6.059 2.405 ( -1.328 9.693 2.355) 10.063 2.509 ( -0.679 14.868 0.190) 14.885 2.624 ( 3.394 21.386 -2.677) 21.818 2.701 ( -0.976 0.873 1.710) 2.154 3.065 ( -3.187 0.561 0.641) 3.299 3.198 ( 3.310 -0.791 -2.355) 4.138 3.382 ( 3.105 -0.485 1.740) 3.592 3.440 ( -1.053 1.179 -3.068) 3.451 3.715 ( 1.718 4.377 -2.548) 5.348 3.766 ( -4.111 -4.081 2.802) 6.435 3.986 ( -0.898 -4.424 2.661) 5.240 4.373 ( -0.827 -7.916 1.272) 8.060 5.243 ( 1.402 -0.187 0.044) 1.415 5.348 ( -0.009 -3.886 0.691) 3.947 5.730 ( -0.105 2.459 -0.673) 2.551 5.928 ( 1.028 2.939 -0.057) 3.114 6.004 ( 1.879 3.463 -2.321) 4.573 6.160 ( -2.193 4.279 4.160) 6.359 6.337 ( -1.130 3.322 2.033) 4.055 6.368 ( 1.952 4.549 0.200) 4.954 6.506 ( 2.334 0.703 -3.342) 4.136 6.530 ( 1.338 2.057 1.104) 2.691 6.673 ( 2.328 5.956 0.988) 6.471 6.725 ( -0.332 1.007 -3.366) 3.529 6.799 ( -2.797 4.308 0.631) 5.175 6.875 ( 1.658 -0.191 -2.194) 2.757 6.966 ( 0.525 5.524 -3.924) 6.796 7.021 ( 1.799 1.367 -0.777) 2.389 7.064 ( 0.996 6.473 3.049) 7.224 7.100 ( -2.831 1.732 -1.743) 3.748 7.368 ( 3.193 0.720 0.450) 3.304 7.401 ( 1.594 6.320 -1.725) 6.742 7.492 ( -1.071 2.444 3.867) 4.698 7.645 ( 0.921 6.505 0.045) 6.570 7.833 ( 1.336 2.914 -1.655) 3.608 7.888 ( -6.295 4.236 1.159) 7.675 7.934 ( 2.707 2.727 1.511) 4.129 8.190 ( -5.955 5.260 3.997) 8.894 8.519 ( -1.508 -5.343 1.210) 5.682 8.658 ( 9.017 2.777 -9.504) 13.392 8.766 ( 6.274 6.833 0.446) 9.287 8.906 ( 0.275 -4.047 -5.476) 6.815 9.039 ( -0.740 -5.942 3.543) 6.958 9.307 ( -0.814 -2.713 -6.632) 7.211 9.663 ( -8.483 -7.942 7.447) 13.802 10.065 ( 1.552 -5.941 -1.775) 6.392 10.337 ( -0.282 -7.519 5.910) 9.568 10.504 ( 0.725 -9.363 0.413) 9.400 ======================= Grid point 80 (37/91) ======================= q-point: ( 0.00 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -1.863 16.426 5.869) 17.543 1.351 ( 1.537 18.315 3.588) 18.727 1.657 ( -4.252 6.070 -9.936) 12.395 1.825 ( -0.914 5.554 -3.210) 6.480 2.007 ( 2.765 4.245 -4.670) 6.890 2.050 ( 1.345 12.647 -2.656) 12.993 2.154 ( 6.154 4.458 4.239) 8.701 2.226 ( 2.675 6.827 -4.434) 8.569 2.299 ( -3.956 3.009 -0.617) 5.009 2.316 ( 1.234 0.961 -4.209) 4.490 2.428 ( 0.671 6.535 -0.075) 6.570 2.570 ( 0.057 5.362 -2.808) 6.053 2.638 ( -1.834 2.276 6.232) 6.884 2.667 ( -1.944 26.335 7.357) 27.413 2.796 ( -0.914 11.723 -0.658) 11.777 2.985 ( -1.572 5.374 2.452) 6.112 3.158 ( 2.175 18.773 0.477) 18.904 3.256 ( 0.384 4.820 -1.709) 5.129 3.431 ( -0.416 -1.606 0.349) 1.695 3.446 ( 0.224 1.411 -2.399) 2.792 3.661 ( 0.203 0.229 2.003) 2.026 3.869 ( 0.596 5.873 -3.899) 7.074 3.955 ( 1.195 0.994 4.206) 4.484 4.184 ( -2.465 -6.679 1.657) 7.310 5.258 ( 0.093 0.048 -0.639) 0.647 5.314 ( -0.438 0.333 -0.301) 0.627 5.799 ( 1.215 2.363 0.551) 2.713 5.922 ( -0.953 0.067 -0.562) 1.108 6.035 ( -0.196 -0.735 0.434) 0.876 6.267 ( -0.553 6.435 0.471) 6.476 6.397 ( -0.135 3.049 2.019) 3.659 6.485 ( 1.352 2.250 1.318) 2.937 6.552 ( 0.174 -0.027 -1.751) 1.760 6.560 ( -0.446 -1.668 2.748) 3.245 6.661 ( 0.225 2.425 0.706) 2.535 6.815 ( -0.843 3.805 -2.864) 4.836 6.870 ( 1.264 2.734 0.870) 3.135 6.905 ( 1.208 2.455 -0.723) 2.830 7.002 ( -3.827 5.307 -1.323) 6.676 7.054 ( 1.358 1.913 -4.243) 4.849 7.165 ( 0.624 2.540 0.902) 2.766 7.249 ( 1.738 6.135 0.198) 6.379 7.412 ( -2.236 0.620 2.662) 3.532 7.523 ( 1.236 1.079 2.535) 3.020 7.560 ( 1.964 7.055 -1.467) 7.468 7.801 ( 0.383 5.383 -1.929) 5.731 7.823 ( 0.432 -4.421 0.724) 4.501 7.877 ( -4.266 7.785 -0.499) 8.891 8.080 ( -2.175 10.502 0.345) 10.731 8.299 ( 1.247 5.233 2.251) 5.831 8.381 ( -1.267 -4.788 0.948) 5.043 8.758 ( 1.063 -0.083 -7.244) 7.322 8.811 ( 2.871 -4.436 -3.160) 6.156 8.897 ( 3.006 -3.960 -4.353) 6.608 8.994 ( 0.791 2.293 1.785) 3.011 9.201 ( -2.574 0.542 -3.071) 4.044 9.480 ( -3.045 -4.926 9.205) 10.875 9.945 ( 0.928 -7.120 -1.881) 7.422 10.208 ( 0.197 -8.210 4.006) 9.138 10.309 ( -0.397 -9.926 -0.202) 9.936 ======================= Grid point 81 (38/91) ======================= q-point: ( 0.20 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 7.795 13.492 3.932) 16.070 1.453 ( 5.609 14.952 5.141) 16.777 1.559 ( 0.655 9.032 -5.697) 10.698 1.780 ( -0.826 8.043 -2.659) 8.511 2.002 ( 2.080 5.705 -10.869) 12.450 2.042 ( -2.289 10.954 -1.955) 11.360 2.141 ( -7.148 4.620 -3.437) 9.178 2.203 ( -0.228 4.157 -4.508) 6.137 2.294 ( 0.980 2.551 -2.670) 3.821 2.353 ( 2.753 1.880 4.906) 5.932 2.423 ( -0.073 4.141 2.902) 5.057 2.542 ( -0.418 6.797 -2.047) 7.111 2.675 ( 1.413 7.632 3.312) 8.438 2.691 ( 0.688 16.607 2.561) 16.817 2.821 ( 2.114 12.298 3.649) 13.002 2.992 ( 0.051 12.348 4.036) 12.991 3.111 ( -6.759 14.391 2.142) 16.042 3.247 ( -1.363 10.353 -1.735) 10.585 3.386 ( -1.664 -5.222 -1.122) 5.594 3.476 ( 3.085 3.428 -2.621) 5.305 3.696 ( 1.496 1.228 2.263) 2.978 3.853 ( 1.009 1.663 -5.899) 6.211 4.018 ( 1.970 0.040 4.737) 5.130 4.143 ( -2.705 -4.251 1.690) 5.315 5.243 ( -1.081 -0.545 -0.520) 1.317 5.289 ( -1.802 0.711 -0.179) 1.946 5.830 ( 1.218 1.060 0.959) 1.878 5.896 ( -0.866 1.311 -1.634) 2.266 6.028 ( -0.750 0.018 0.439) 0.870 6.275 ( 0.801 6.767 0.983) 6.885 6.397 ( -1.216 3.015 0.680) 3.321 6.476 ( -3.533 2.543 2.645) 5.094 6.552 ( 3.316 -0.388 0.690) 3.409 6.619 ( 1.451 -1.207 0.692) 2.010 6.666 ( 0.879 3.990 0.352) 4.101 6.758 ( -2.792 1.698 -2.543) 4.140 6.871 ( -0.868 3.702 -2.782) 4.712 6.939 ( 1.432 1.604 -2.515) 3.308 6.977 ( 1.316 5.117 1.388) 5.463 7.039 ( 0.661 1.763 -1.943) 2.706 7.194 ( 3.001 3.753 0.366) 4.819 7.264 ( -1.368 4.463 1.589) 4.931 7.356 ( -3.966 -0.293 1.932) 4.422 7.562 ( -2.075 4.624 -0.836) 5.137 7.571 ( 0.362 4.644 3.077) 5.583 7.783 ( -0.645 6.124 -2.028) 6.483 7.808 ( 0.935 4.617 -1.019) 4.820 7.872 ( 2.214 1.067 0.543) 2.517 8.048 ( -0.832 10.502 -0.117) 10.535 8.349 ( 1.018 -0.685 1.682) 2.082 8.372 ( 1.025 0.606 0.194) 1.206 8.715 ( -1.305 1.158 -4.016) 4.379 8.818 ( -0.300 -6.070 -3.311) 6.920 8.887 ( -3.093 0.393 -0.550) 3.166 8.978 ( -0.184 -1.750 -2.052) 2.704 9.195 ( 3.112 0.238 -2.567) 4.041 9.513 ( 0.150 -4.774 8.008) 9.324 9.945 ( 0.337 -7.470 -1.835) 7.699 10.237 ( 0.266 -8.842 3.399) 9.477 10.287 ( -1.697 -9.470 -0.412) 9.630 ======================= Grid point 82 (39/91) ======================= q-point: ( 0.40 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 0.597 10.443 -5.974) 12.046 1.521 ( 7.267 11.937 5.291) 14.943 1.718 ( 9.532 10.745 5.285) 15.305 1.793 ( 4.251 8.191 -1.630) 9.371 1.906 ( -9.011 9.828 -0.784) 13.357 1.933 ( -4.479 3.053 -3.009) 6.200 2.028 ( 0.387 7.049 -9.678) 11.979 2.171 ( 1.152 4.553 -7.561) 8.901 2.248 ( -1.775 3.046 -5.943) 6.910 2.400 ( 1.167 1.981 1.240) 2.612 2.477 ( 0.372 8.516 3.400) 9.177 2.541 ( 0.340 3.133 3.103) 4.423 2.713 ( 1.411 11.894 -1.578) 12.081 2.729 ( 1.810 13.934 3.342) 14.443 2.874 ( 0.504 10.410 2.910) 10.821 2.951 ( -9.392 15.635 5.502) 19.050 3.058 ( -0.056 7.631 6.564) 10.066 3.201 ( -0.469 14.267 -3.152) 14.618 3.364 ( -0.313 -4.522 -0.115) 4.535 3.515 ( 2.571 2.207 -3.382) 4.787 3.724 ( -0.005 1.320 1.222) 1.798 3.830 ( 0.854 0.255 -5.740) 5.809 4.039 ( -1.751 1.891 -0.544) 2.634 4.145 ( 0.802 -4.410 5.543) 7.128 5.226 ( -0.253 -0.446 -0.057) 0.516 5.260 ( -0.941 0.257 0.351) 1.037 5.839 ( -1.171 1.281 0.520) 1.812 5.886 ( 1.804 1.739 -2.521) 3.554 6.017 ( -0.676 0.681 0.445) 1.058 6.305 ( 1.279 6.818 1.963) 7.209 6.364 ( -2.420 0.431 1.292) 2.776 6.440 ( -1.716 4.910 1.193) 5.337 6.593 ( -0.670 3.730 0.232) 3.797 6.608 ( -1.137 1.294 -3.283) 3.707 6.713 ( 2.789 0.710 2.209) 3.628 6.727 ( 1.486 -0.891 -1.099) 2.052 6.825 ( -0.958 1.601 -2.798) 3.363 6.919 ( -0.080 3.580 -3.717) 5.162 7.019 ( 1.542 5.086 1.888) 5.640 7.081 ( 3.398 3.348 -0.724) 4.825 7.206 ( -4.547 4.710 0.493) 6.565 7.254 ( -0.765 1.617 2.635) 3.185 7.348 ( 4.511 1.230 0.372) 4.690 7.472 ( -6.626 2.926 0.347) 7.251 7.571 ( -1.800 5.881 3.824) 7.242 7.765 ( -0.107 7.749 -2.559) 8.161 7.845 ( 1.958 4.430 0.277) 4.851 7.928 ( 3.362 2.780 -0.772) 4.430 8.059 ( 2.138 9.215 -0.101) 9.460 8.345 ( -1.018 -3.641 0.803) 3.865 8.411 ( 0.889 1.322 1.017) 1.890 8.665 ( -1.631 2.300 -3.070) 4.168 8.753 ( -1.861 -0.613 -2.243) 2.978 8.865 ( -0.784 -2.230 3.650) 4.349 8.963 ( 0.425 -2.856 -4.644) 5.469 9.238 ( 3.116 -1.628 -3.230) 4.774 9.566 ( -0.260 -5.626 7.259) 9.188 9.935 ( 0.037 -7.378 -2.155) 7.686 10.244 ( -2.302 -8.005 -0.325) 8.336 10.262 ( 0.452 -9.525 2.024) 9.748 ======================= Grid point 83 (40/91) ======================= q-point: (-0.40 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -2.973 14.943 -3.084) 15.545 1.606 ( -15.440 10.704 1.603) 18.855 1.707 ( 6.703 6.952 4.884) 10.822 1.841 ( -0.825 5.418 0.105) 5.481 1.897 ( 7.369 6.534 -6.820) 11.980 1.973 ( 4.356 3.582 -2.994) 6.385 2.025 ( 4.294 11.183 0.677) 11.998 2.139 ( 0.127 7.516 -6.074) 9.665 2.204 ( 3.153 2.768 -5.792) 7.152 2.412 ( 0.581 5.118 -3.990) 6.515 2.454 ( -2.394 3.164 -1.498) 4.241 2.576 ( -0.872 6.379 6.297) 9.006 2.703 ( -2.407 21.942 0.686) 22.085 2.749 ( -3.879 5.850 3.172) 7.703 2.847 ( -2.345 14.340 4.364) 15.172 2.911 ( 3.217 13.827 0.466) 14.204 3.090 ( -2.324 -1.440 8.468) 8.898 3.197 ( 1.991 11.199 -3.580) 11.924 3.376 ( 1.304 0.304 0.264) 1.365 3.517 ( 0.211 2.886 -3.605) 4.623 3.710 ( -1.640 -2.011 -0.311) 2.614 3.827 ( 1.696 4.975 -2.112) 5.665 3.989 ( -2.285 3.754 -1.514) 4.648 4.194 ( 0.257 -6.690 4.549) 8.094 5.231 ( 0.691 0.656 -0.051) 0.954 5.269 ( 1.485 -0.959 0.682) 1.895 5.809 ( -1.418 2.586 -0.837) 3.066 5.913 ( 1.866 1.063 -1.351) 2.537 6.013 ( 0.206 0.437 0.467) 0.672 6.318 ( -2.087 5.048 2.339) 5.942 6.362 ( 1.585 1.087 2.121) 2.862 6.418 ( -0.855 4.477 -0.401) 4.576 6.553 ( -1.322 2.784 -2.942) 4.261 6.585 ( -0.058 3.556 0.511) 3.593 6.705 ( -2.257 -1.999 -0.081) 3.016 6.781 ( 2.273 1.692 -1.431) 3.175 6.844 ( 2.912 1.775 -1.086) 3.579 6.915 ( 1.686 3.864 -1.833) 4.597 7.047 ( 0.186 3.729 0.342) 3.749 7.120 ( -1.958 5.535 -1.845) 6.154 7.129 ( 0.423 3.796 1.485) 4.098 7.243 ( -2.080 3.546 2.245) 4.684 7.357 ( -3.848 1.284 0.636) 4.106 7.465 ( 5.569 2.663 0.254) 6.178 7.567 ( -1.387 4.839 3.243) 5.988 7.740 ( -0.488 5.637 -1.816) 5.942 7.866 ( -0.085 3.962 0.418) 3.985 7.966 ( 1.149 4.708 -0.843) 4.919 8.105 ( 1.520 7.903 0.599) 8.070 8.316 ( -2.897 1.642 2.194) 3.988 8.423 ( -0.202 -4.550 1.196) 4.709 8.632 ( 2.571 2.401 -6.056) 7.003 8.762 ( 2.697 -0.373 -0.840) 2.850 8.884 ( 0.336 -0.412 3.781) 3.818 8.932 ( -0.507 -3.011 -4.377) 5.336 9.265 ( 2.095 -2.177 -3.654) 4.741 9.576 ( -3.976 -6.771 7.348) 10.753 9.927 ( 0.830 -6.792 -2.234) 7.198 10.202 ( -1.949 -7.272 0.572) 7.550 10.285 ( 0.929 -9.548 0.928) 9.638 ======================= Grid point 84 (41/91) ======================= q-point: (-0.20 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -6.199 17.369 -0.782) 18.458 1.358 ( -8.539 15.139 5.287) 18.168 1.797 ( -1.544 5.105 -8.647) 10.160 1.816 ( 1.323 3.225 1.273) 3.711 1.972 ( 4.554 4.442 0.287) 6.368 2.020 ( 3.446 5.147 -3.235) 6.988 2.056 ( 0.438 11.658 -2.194) 11.871 2.173 ( 5.478 9.312 -1.572) 10.918 2.287 ( 5.533 4.519 -2.712) 7.641 2.358 ( -0.822 2.038 -7.542) 7.855 2.416 ( -0.737 4.353 -0.511) 4.445 2.580 ( -1.400 5.202 2.432) 5.911 2.659 ( -3.826 25.885 6.001) 26.845 2.685 ( -4.668 7.657 5.868) 10.717 2.837 ( -1.482 12.141 -1.121) 12.283 2.987 ( 2.657 4.976 -0.699) 5.684 3.093 ( -0.330 7.035 5.949) 9.219 3.233 ( 3.161 6.527 -1.476) 7.401 3.402 ( 1.803 3.551 -1.223) 4.166 3.488 ( -1.132 2.448 -2.570) 3.725 3.672 ( -2.070 -3.524 0.695) 4.146 3.859 ( 1.721 9.119 0.558) 9.297 3.945 ( -1.236 1.620 -1.131) 2.330 4.206 ( -1.389 -7.565 2.943) 8.236 5.248 ( 1.133 0.678 -0.441) 1.392 5.305 ( 1.441 -0.591 0.199) 1.570 5.788 ( -0.191 3.114 -0.473) 3.155 5.930 ( 0.464 0.007 -0.397) 0.611 6.027 ( 0.660 -0.214 0.417) 0.810 6.288 ( -2.018 5.466 1.179) 5.945 6.390 ( -0.426 2.342 1.727) 2.941 6.434 ( 2.814 1.431 0.672) 3.228 6.532 ( 0.002 2.440 -0.289) 2.457 6.591 ( -0.373 2.488 0.497) 2.564 6.664 ( -1.501 -1.030 0.051) 1.821 6.806 ( 2.475 0.995 -3.226) 4.186 6.875 ( 0.994 2.313 -1.084) 2.742 6.906 ( -2.388 5.962 0.841) 6.478 7.044 ( 1.740 2.411 -3.374) 4.497 7.095 ( -4.011 4.908 1.072) 6.429 7.135 ( 1.258 3.169 -0.828) 3.509 7.216 ( 0.603 6.097 1.407) 6.286 7.377 ( 2.909 0.514 1.832) 3.476 7.522 ( -0.386 1.733 1.717) 2.470 7.549 ( -0.579 6.578 -0.926) 6.668 7.757 ( 2.873 1.700 -0.073) 3.339 7.848 ( -1.634 2.182 -0.414) 2.757 7.952 ( -2.478 5.062 -0.494) 5.658 8.108 ( -1.475 10.354 1.692) 10.594 8.289 ( -1.174 2.255 1.540) 2.972 8.405 ( -2.435 -3.744 2.337) 5.041 8.704 ( 9.443 1.750 -10.314) 14.093 8.795 ( 1.142 -4.496 -1.935) 5.026 8.895 ( -0.936 -5.519 -1.308) 5.749 8.936 ( 2.762 5.285 2.406) 6.430 9.262 ( -0.102 -1.574 -4.407) 4.681 9.519 ( -6.698 -6.312 8.540) 12.555 9.936 ( 1.334 -6.705 -2.012) 7.126 10.188 ( -0.609 -7.298 2.707) 7.807 10.305 ( 0.690 -9.850 0.204) 9.876 ======================= Grid point 85 (42/91) ======================= q-point: ( 0.00 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -1.688 13.705 2.863) 14.102 1.687 ( 1.722 14.342 0.397) 14.451 1.793 ( -3.278 7.333 -5.933) 9.985 1.920 ( 0.739 3.884 -1.124) 4.111 2.081 ( 1.770 3.743 -2.525) 4.850 2.195 ( 3.153 2.036 -0.333) 3.768 2.213 ( 4.564 1.963 -2.778) 5.692 2.278 ( -3.295 -1.346 -4.317) 5.595 2.323 ( 1.977 1.233 -5.718) 6.175 2.388 ( -2.327 3.694 -0.914) 4.461 2.522 ( 1.798 2.584 0.350) 3.168 2.598 ( 2.354 1.272 0.409) 2.706 2.705 ( -3.895 1.882 6.554) 7.853 2.877 ( -1.990 1.141 4.651) 5.186 2.992 ( 1.565 -3.520 2.635) 4.667 3.137 ( -2.220 7.774 -0.207) 8.088 3.370 ( -1.639 0.422 0.688) 1.827 3.414 ( -3.526 11.101 0.722) 11.670 3.441 ( 5.184 6.877 1.707) 8.780 3.589 ( -0.539 9.869 -7.960) 12.690 3.729 ( 2.981 9.243 2.739) 10.091 4.003 ( 1.619 5.630 2.366) 6.318 4.080 ( -2.011 11.589 0.454) 11.771 4.150 ( -1.709 4.862 1.543) 5.380 5.271 ( -0.160 1.191 -1.221) 1.713 5.338 ( -0.053 1.688 0.003) 1.689 5.840 ( 0.105 1.586 0.076) 1.591 5.931 ( -0.229 0.497 0.642) 0.843 6.055 ( -0.514 3.444 1.303) 3.718 6.385 ( 0.799 5.694 -0.306) 5.758 6.445 ( 1.158 0.551 1.234) 1.779 6.486 ( 0.511 1.073 0.109) 1.193 6.543 ( -0.163 -0.357 -1.349) 1.405 6.562 ( -1.931 1.067 3.283) 3.956 6.712 ( 1.452 1.891 0.175) 2.391 6.826 ( 2.886 -1.308 -2.183) 3.848 6.904 ( -2.428 1.571 0.059) 2.892 6.982 ( -2.014 0.013 -2.524) 3.229 7.090 ( -1.470 3.128 -1.091) 3.624 7.118 ( 0.186 6.357 0.020) 6.360 7.204 ( 0.979 1.212 0.565) 1.657 7.323 ( 0.211 0.552 3.581) 3.630 7.429 ( -4.030 1.268 1.490) 4.480 7.544 ( 4.512 1.273 0.854) 4.766 7.706 ( -2.179 4.048 -1.227) 4.759 7.731 ( 4.491 -0.937 0.068) 4.588 7.902 ( -0.094 4.865 -2.533) 5.486 8.025 ( -2.962 5.237 -0.557) 6.042 8.198 ( 1.043 -6.973 -1.015) 7.124 8.285 ( -3.004 8.970 2.039) 9.677 8.462 ( 1.889 5.158 0.734) 5.542 8.710 ( -0.109 -3.240 -1.275) 3.484 8.714 ( -1.838 -5.089 -1.119) 5.525 8.842 ( 7.367 -0.557 -8.230) 11.060 9.081 ( -2.271 4.559 0.506) 5.118 9.232 ( -0.849 2.793 -0.047) 2.920 9.388 ( -1.832 -4.154 7.168) 8.485 9.803 ( 0.650 -6.884 -2.195) 7.255 10.059 ( 0.134 -6.459 2.085) 6.789 10.124 ( -0.315 -8.140 -0.027) 8.146 ======================= Grid point 86 (43/91) ======================= q-point: ( 0.20 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 5.174 11.661 0.468) 12.766 1.721 ( 0.722 10.564 -1.094) 10.645 1.755 ( 3.308 10.551 0.607) 11.074 1.916 ( 0.299 5.058 -1.370) 5.249 2.072 ( -0.191 3.342 -5.886) 6.772 2.167 ( -4.208 1.481 -3.423) 5.623 2.205 ( -1.103 2.273 -4.704) 5.340 2.266 ( -0.083 0.755 -6.938) 6.979 2.336 ( 3.552 1.570 0.303) 3.896 2.369 ( -0.740 1.380 2.361) 2.833 2.487 ( -0.971 2.565 1.114) 2.960 2.664 ( 0.490 4.202 -3.208) 5.309 2.729 ( 2.472 0.776 9.965) 10.296 2.891 ( 0.643 2.458 2.576) 3.618 3.047 ( 1.459 -0.166 3.606) 3.893 3.099 ( -1.094 -0.217 -0.584) 1.259 3.300 ( -5.914 9.000 3.020) 11.184 3.336 ( -4.638 2.091 1.664) 5.353 3.487 ( -1.107 10.009 -8.858) 13.411 3.553 ( 2.500 4.095 0.299) 4.807 3.830 ( 3.336 12.867 6.748) 14.907 4.001 ( -0.478 11.289 -7.206) 13.401 4.099 ( 1.931 7.709 5.474) 9.650 4.129 ( -1.207 4.131 0.752) 4.369 5.251 ( -0.957 1.249 -0.911) 1.818 5.316 ( -2.002 1.716 -0.015) 2.637 5.850 ( 0.802 1.001 0.260) 1.309 5.931 ( 0.028 1.702 -0.156) 1.710 6.057 ( -0.150 3.616 1.123) 3.789 6.389 ( -0.635 4.813 1.228) 5.008 6.459 ( -2.414 3.530 0.455) 4.301 6.497 ( 2.032 -0.265 0.893) 2.236 6.540 ( 1.893 0.284 0.409) 1.958 6.594 ( 2.269 -0.833 0.467) 2.462 6.742 ( 1.353 2.329 0.244) 2.704 6.793 ( -3.601 1.947 -3.550) 5.418 6.883 ( -2.870 -1.659 -0.990) 3.460 6.929 ( 0.799 -1.786 -1.140) 2.264 7.070 ( 0.717 3.325 0.187) 3.406 7.147 ( 1.404 7.246 -0.323) 7.388 7.245 ( 3.013 1.256 1.205) 3.480 7.322 ( -2.742 -1.192 4.463) 5.372 7.362 ( -2.914 3.058 -0.500) 4.254 7.598 ( -2.407 0.687 1.671) 3.009 7.664 ( -0.075 2.105 0.696) 2.219 7.837 ( 6.657 1.894 -2.188) 7.259 7.904 ( 2.080 5.059 -1.704) 5.730 7.970 ( -2.136 5.365 -0.987) 5.858 8.211 ( 1.098 -3.099 -1.323) 3.543 8.250 ( -1.335 6.124 1.062) 6.357 8.508 ( 1.896 6.184 0.791) 6.516 8.665 ( -1.816 -5.929 -2.381) 6.642 8.698 ( -0.663 -3.873 -1.358) 4.158 8.874 ( 0.165 -0.723 -3.843) 3.914 9.029 ( -2.016 4.781 -0.480) 5.211 9.228 ( 0.388 2.986 -0.250) 3.022 9.421 ( 0.218 -4.244 6.658) 7.898 9.797 ( 0.261 -7.162 -2.219) 7.503 10.077 ( 0.205 -6.955 1.861) 7.202 10.113 ( -0.773 -7.617 -0.114) 7.657 ======================= Grid point 87 (44/91) ======================= q-point: ( 0.40 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 3.579 9.592 -4.174) 11.056 1.749 ( 2.935 10.063 1.658) 10.612 1.876 ( 4.563 4.148 1.130) 6.270 1.941 ( 4.284 6.529 1.656) 7.983 2.000 ( -2.802 4.114 -3.093) 5.860 2.053 ( -6.234 6.147 -0.174) 8.757 2.133 ( -0.431 3.507 -7.899) 8.653 2.255 ( 2.629 2.296 -6.906) 7.738 2.297 ( -2.774 2.852 -4.383) 5.920 2.407 ( 2.459 -0.205 1.788) 3.048 2.550 ( 2.563 -0.537 4.807) 5.474 2.618 ( -2.566 3.995 -4.176) 6.323 2.816 ( -1.671 -1.808 8.826) 9.163 2.923 ( 2.250 5.093 0.781) 5.623 3.047 ( -2.828 1.029 1.879) 3.548 3.113 ( 1.533 -0.408 0.418) 1.641 3.224 ( -3.392 2.608 2.308) 4.861 3.292 ( -2.940 8.893 8.018) 12.329 3.411 ( 0.750 5.395 -9.638) 11.071 3.589 ( 1.058 6.644 -0.083) 6.728 3.890 ( -2.089 12.628 1.365) 12.872 3.957 ( 1.146 9.835 -1.985) 10.099 4.114 ( -0.343 4.872 -0.344) 4.896 4.166 ( 1.616 9.117 2.887) 9.699 5.237 ( 0.155 1.509 0.026) 1.518 5.280 ( -1.433 1.480 -0.058) 2.061 5.864 ( 0.118 1.260 0.494) 1.358 5.934 ( 0.890 2.336 -1.294) 2.814 6.058 ( -0.458 3.995 0.705) 4.082 6.372 ( -2.411 2.119 2.468) 4.049 6.427 ( -0.650 4.475 0.530) 4.553 6.519 ( 0.159 2.860 0.223) 2.873 6.605 ( 1.338 -1.394 0.412) 1.975 6.628 ( 2.637 0.103 -1.532) 3.051 6.703 ( -2.590 -1.108 -2.403) 3.703 6.741 ( -0.772 2.238 -1.982) 3.088 6.853 ( 1.861 1.043 -0.244) 2.147 6.941 ( -0.009 -1.528 -0.091) 1.531 7.100 ( 1.366 3.499 1.362) 3.996 7.178 ( 1.940 5.076 0.333) 5.444 7.255 ( -3.563 -0.604 1.858) 4.063 7.314 ( -2.132 4.103 2.057) 5.060 7.363 ( 5.547 0.855 0.534) 5.638 7.509 ( -6.795 1.228 1.555) 7.078 7.667 ( -1.443 2.908 1.669) 3.650 7.899 ( 2.152 0.837 -5.691) 6.141 7.937 ( -0.827 5.074 -0.933) 5.225 7.976 ( 4.951 5.012 1.313) 7.167 8.214 ( 0.402 5.539 -1.832) 5.848 8.277 ( 3.980 -0.444 0.047) 4.005 8.502 ( -4.725 5.614 2.665) 7.806 8.627 ( 1.126 -5.771 -4.851) 7.623 8.677 ( -0.431 -4.273 -1.102) 4.434 8.845 ( -1.564 -0.785 1.243) 2.146 9.009 ( 0.473 6.065 -1.523) 6.271 9.236 ( 0.913 1.308 -1.404) 2.125 9.462 ( -0.815 -4.598 6.343) 7.877 9.788 ( 0.428 -7.223 -2.279) 7.586 10.080 ( -0.855 -7.368 0.352) 7.426 10.104 ( -0.003 -6.615 0.798) 6.663 ======================= Grid point 88 (45/91) ======================= q-point: (-0.40 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 0.581 12.058 -3.112) 12.467 1.778 ( -8.086 6.378 0.427) 10.307 1.839 ( 1.138 5.613 1.642) 5.958 1.962 ( -0.607 6.784 -0.337) 6.819 2.022 ( 3.712 5.376 -0.665) 6.567 2.039 ( 1.321 4.789 -5.660) 7.531 2.171 ( 7.512 0.898 0.806) 7.608 2.228 ( -0.001 4.145 -2.359) 4.769 2.291 ( 4.781 4.551 -6.462) 9.237 2.437 ( -0.337 -0.780 -0.682) 1.090 2.518 ( -3.415 2.557 -8.522) 9.530 2.600 ( -0.197 -2.576 4.629) 5.301 2.791 ( -4.384 -1.581 6.103) 7.679 2.947 ( -3.255 0.931 5.177) 6.185 3.009 ( -1.682 4.901 0.206) 5.186 3.143 ( 1.885 0.499 1.929) 2.743 3.244 ( 3.208 -0.277 2.735) 4.225 3.275 ( -2.818 17.466 4.782) 18.327 3.429 ( 5.108 2.074 -5.501) 7.788 3.597 ( 0.090 8.119 -0.376) 8.128 3.815 ( -2.412 11.687 -6.502) 13.589 3.972 ( -1.836 4.584 5.209) 7.178 4.115 ( 0.516 9.441 -0.429) 9.465 4.188 ( -0.679 8.753 1.595) 8.923 5.255 ( 0.896 1.738 0.501) 2.019 5.274 ( 1.425 1.093 -0.278) 1.818 5.859 ( -0.752 2.136 0.137) 2.269 5.942 ( 0.313 1.387 -0.862) 1.663 6.055 ( -0.148 4.142 0.552) 4.181 6.349 ( -0.970 1.542 1.612) 2.433 6.432 ( 0.212 3.623 1.297) 3.854 6.502 ( -1.825 3.764 -0.905) 4.280 6.582 ( -1.370 0.582 -0.085) 1.491 6.634 ( -1.315 -0.078 0.131) 1.324 6.683 ( 0.628 0.882 -2.909) 3.104 6.750 ( 2.545 -2.601 -2.548) 4.442 6.906 ( 2.966 2.214 -0.092) 3.702 6.956 ( 1.746 -0.248 1.462) 2.291 7.116 ( -1.147 4.012 0.619) 4.218 7.195 ( -0.720 1.773 -0.910) 2.119 7.208 ( -1.118 2.839 3.013) 4.288 7.326 ( 1.690 4.368 2.255) 5.198 7.381 ( -7.081 1.385 1.175) 7.311 7.477 ( 5.234 -0.512 0.868) 5.330 7.645 ( -1.364 2.244 0.836) 2.756 7.850 ( -2.958 4.136 -4.334) 6.681 7.934 ( 0.089 1.999 -0.017) 2.001 8.060 ( 3.207 4.780 -0.236) 5.761 8.205 ( -0.233 2.589 -2.030) 3.298 8.360 ( 1.707 2.222 1.234) 3.062 8.414 ( -2.991 3.760 1.608) 5.067 8.644 ( 4.082 -1.546 -5.181) 6.775 8.680 ( 1.534 -5.297 -1.061) 5.616 8.818 ( -2.598 -2.452 1.105) 3.740 9.032 ( 2.522 7.568 -0.363) 7.985 9.244 ( 1.045 0.046 -1.893) 2.163 9.459 ( -3.921 -4.864 6.337) 8.899 9.789 ( 1.208 -6.923 -2.114) 7.338 10.061 ( -1.094 -6.391 0.319) 6.491 10.115 ( 0.386 -7.230 0.682) 7.272 ======================= Grid point 89 (46/91) ======================= q-point: (-0.20 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -8.398 12.070 1.897) 14.826 1.664 ( 0.698 13.874 -0.791) 13.914 1.882 ( 0.829 3.214 0.356) 3.338 1.915 ( -2.410 6.572 -4.963) 8.581 2.050 ( 2.836 3.908 -1.565) 5.076 2.100 ( 4.433 3.384 -0.339) 5.587 2.203 ( 1.646 2.519 -4.778) 5.647 2.307 ( 3.449 0.987 -0.941) 3.709 2.358 ( 1.161 5.132 -4.083) 6.660 2.399 ( -1.083 -1.162 -0.035) 1.589 2.434 ( 4.021 2.217 -7.743) 9.003 2.609 ( -1.724 -0.315 3.172) 3.624 2.748 ( -4.585 -0.343 6.259) 7.767 2.911 ( -4.783 -1.822 6.234) 8.066 2.968 ( -0.663 1.577 0.212) 1.724 3.178 ( -1.750 7.035 1.011) 7.320 3.293 ( 4.801 7.385 3.913) 9.638 3.353 ( 4.987 8.709 -0.607) 10.054 3.461 ( -0.547 2.566 0.058) 2.624 3.601 ( 1.560 10.678 -2.386) 11.052 3.735 ( -1.458 10.119 -6.215) 11.965 3.971 ( -1.369 1.845 5.830) 6.267 4.111 ( -0.961 12.584 -0.238) 12.622 4.172 ( -1.694 6.631 1.430) 6.992 5.269 ( 0.811 1.407 -0.678) 1.760 5.315 ( 2.175 1.370 0.128) 2.574 5.845 ( -0.585 2.315 -0.059) 2.389 5.935 ( -0.516 0.412 0.250) 0.706 6.057 ( -0.333 3.648 1.004) 3.798 6.361 ( 1.262 2.467 0.543) 2.824 6.439 ( -0.424 2.457 0.335) 2.516 6.473 ( -0.139 3.286 0.280) 3.301 6.560 ( -1.661 0.248 0.827) 1.872 6.599 ( -2.322 -0.381 0.643) 2.440 6.689 ( 1.351 2.370 -1.357) 3.047 6.781 ( 3.124 -2.429 -3.168) 5.069 6.934 ( -0.118 2.526 -0.165) 2.534 7.000 ( 1.155 -0.283 0.029) 1.189 7.086 ( -0.939 4.624 0.657) 4.764 7.182 ( -0.399 1.673 -0.826) 1.908 7.204 ( -3.795 4.964 1.248) 6.372 7.285 ( -0.112 0.341 2.423) 2.450 7.412 ( 3.857 3.010 2.541) 5.513 7.522 ( -1.167 -0.847 0.085) 1.445 7.656 ( 2.924 1.409 -0.215) 3.253 7.767 ( -3.037 3.069 -2.290) 4.888 7.925 ( -0.756 3.757 -0.965) 3.952 8.076 ( -1.332 6.206 -0.746) 6.391 8.190 ( 0.401 -5.832 -1.496) 6.034 8.326 ( -3.478 8.437 3.693) 9.845 8.435 ( 1.152 3.011 0.059) 3.224 8.699 ( 2.392 -3.629 -2.386) 4.958 8.734 ( 7.804 -1.445 -5.893) 9.886 8.767 ( -2.888 -3.464 -0.146) 4.512 9.079 ( 1.958 7.002 -0.008) 7.270 9.247 ( 0.256 0.254 -1.491) 1.534 9.410 ( -5.169 -4.525 7.109) 9.886 9.800 ( 1.184 -6.751 -2.082) 7.163 10.051 ( -0.487 -6.105 1.311) 6.263 10.124 ( 0.216 -7.883 0.283) 7.891 ======================= Grid point 90 (47/91) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -1.088 9.287 0.759) 9.381 1.881 ( 0.727 5.142 -2.126) 5.612 1.934 ( -0.691 4.155 -0.833) 4.294 2.010 ( -0.254 6.291 -3.842) 7.376 2.145 ( 1.198 -0.125 -0.633) 1.361 2.178 ( 1.834 1.463 -1.065) 2.577 2.240 ( 0.966 1.113 -1.917) 2.418 2.275 ( -1.535 0.977 -0.114) 1.823 2.342 ( 3.148 -0.024 -3.181) 4.475 2.404 ( -1.953 -1.357 -4.058) 4.704 2.535 ( 2.226 0.206 2.592) 3.423 2.651 ( -0.290 2.561 -0.614) 2.650 2.687 ( 1.792 -2.859 5.594) 6.533 2.855 ( -1.471 -3.804 2.108) 4.591 2.895 ( -1.163 -3.547 3.303) 4.984 3.064 ( -2.868 -8.551 -3.720) 9.756 3.393 ( 0.667 1.293 3.246) 3.558 3.476 ( 4.101 -1.002 4.879) 6.452 3.679 ( -6.357 10.443 -5.146) 13.264 3.748 ( -1.479 6.556 -7.060) 9.748 4.012 ( 5.221 15.520 5.254) 17.197 4.167 ( 4.309 9.030 4.354) 10.911 4.310 ( -3.463 9.942 0.920) 10.568 4.313 ( -2.600 9.045 -1.380) 9.512 5.303 ( -0.150 1.909 -0.969) 2.146 5.369 ( 0.027 1.066 0.058) 1.068 5.866 ( -0.503 1.252 0.631) 1.490 5.943 ( 0.300 0.549 0.014) 0.626 6.164 ( -0.525 6.786 2.014) 7.098 6.439 ( 1.502 0.774 -1.028) 1.978 6.504 ( 0.612 4.316 0.153) 4.362 6.520 ( 0.755 -0.030 -0.640) 0.990 6.555 ( 0.539 3.366 -0.433) 3.436 6.603 ( -2.610 2.907 2.678) 4.736 6.729 ( 0.367 -0.129 0.710) 0.809 6.791 ( 3.580 -1.496 -0.968) 3.999 6.878 ( -1.762 -5.192 -3.010) 6.255 6.965 ( -2.542 0.512 -0.151) 2.597 7.130 ( -0.975 0.100 -0.605) 1.152 7.202 ( -0.123 -1.589 1.213) 2.003 7.247 ( 0.042 3.982 2.591) 4.751 7.305 ( -1.865 0.758 3.727) 4.236 7.459 ( -1.636 1.437 -1.311) 2.541 7.562 ( 4.058 0.115 1.171) 4.225 7.661 ( 0.157 -1.467 -0.212) 1.490 7.828 ( 1.726 2.006 -1.386) 2.987 7.989 ( 2.439 2.314 -2.122) 3.976 8.007 ( -3.154 -2.165 -0.802) 3.909 8.181 ( -0.077 3.637 -0.992) 3.771 8.429 ( -2.821 5.222 1.296) 6.075 8.479 ( 2.849 -3.728 -4.898) 6.782 8.640 ( -1.342 -2.985 0.447) 3.303 8.694 ( -0.317 2.979 1.113) 3.196 8.842 ( 4.761 -0.057 -3.958) 6.191 9.155 ( -2.345 2.863 0.062) 3.701 9.313 ( -0.688 -2.004 5.065) 5.490 9.316 ( -0.356 4.030 0.579) 4.087 9.670 ( 0.421 -6.392 -1.980) 6.704 9.954 ( 0.088 -3.905 1.069) 4.050 9.990 ( -0.339 -5.157 0.180) 5.171 ======================= Grid point 91 (48/91) ======================= q-point: ( 0.20 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 2.809 8.000 -0.957) 8.533 1.880 ( 1.186 5.139 -1.559) 5.500 1.921 ( -0.296 4.412 -0.399) 4.439 2.002 ( 1.695 4.572 -3.139) 5.800 2.142 ( -0.922 2.011 -1.991) 2.977 2.172 ( -0.920 1.270 -1.104) 1.918 2.235 ( -0.696 0.588 -2.646) 2.799 2.254 ( -0.334 0.483 -2.661) 2.725 2.370 ( 0.743 0.814 -0.382) 1.166 2.390 ( 2.571 0.522 -0.586) 2.688 2.530 ( -2.549 1.756 1.711) 3.537 2.671 ( 2.092 -2.150 -0.004) 2.999 2.745 ( -0.761 0.199 2.893) 2.998 2.843 ( -0.248 -5.982 2.526) 6.498 2.932 ( 2.882 -6.715 0.835) 7.355 3.016 ( -1.493 -5.797 2.989) 6.691 3.365 ( -4.975 2.341 -0.698) 5.542 3.510 ( -1.820 2.915 0.010) 3.436 3.585 ( -2.317 6.822 -1.691) 7.400 3.686 ( 0.399 6.872 -0.858) 6.937 4.128 ( 1.493 14.133 6.082) 15.458 4.230 ( -2.127 10.196 -4.681) 11.419 4.264 ( 2.148 8.456 -1.330) 8.826 4.300 ( 2.227 9.619 4.500) 10.851 5.287 ( -0.738 2.161 -0.726) 2.396 5.348 ( -1.980 1.229 0.037) 2.331 5.873 ( 0.835 1.431 0.504) 1.732 5.956 ( 0.899 0.680 -0.227) 1.149 6.169 ( -0.307 6.920 1.865) 7.174 6.449 ( -0.077 1.132 -0.169) 1.147 6.526 ( 1.058 2.845 0.594) 3.093 6.530 ( 0.387 2.808 -1.211) 3.083 6.565 ( 0.462 2.052 -0.536) 2.170 6.582 ( -0.055 0.433 2.108) 2.152 6.743 ( -0.315 -1.996 0.926) 2.223 6.807 ( -2.432 -2.177 -3.597) 4.858 6.845 ( 2.183 -0.322 -1.362) 2.593 6.908 ( -2.651 0.393 0.804) 2.798 7.114 ( 0.325 0.664 0.125) 0.750 7.225 ( -0.202 -3.637 2.023) 4.167 7.273 ( -1.260 4.015 1.550) 4.484 7.294 ( 2.213 0.968 1.794) 3.009 7.427 ( -1.532 2.925 0.194) 3.308 7.604 ( -2.109 -0.009 1.888) 2.831 7.657 ( 0.966 -1.505 0.326) 1.818 7.847 ( 0.149 -3.034 -2.318) 3.822 7.996 ( 3.283 4.254 0.483) 5.395 8.046 ( 4.929 3.505 -4.446) 7.507 8.183 ( 1.223 1.668 -0.048) 2.069 8.385 ( -1.998 5.468 -0.502) 5.843 8.492 ( 2.003 -6.372 -5.561) 8.691 8.605 ( -2.724 -2.680 0.527) 3.858 8.687 ( -1.619 4.204 2.070) 4.958 8.861 ( -0.720 -0.797 -1.328) 1.708 9.127 ( 0.010 4.679 -0.795) 4.746 9.308 ( -1.122 4.681 0.471) 4.837 9.344 ( 0.640 -3.392 4.771) 5.889 9.658 ( -0.175 -6.659 -2.001) 6.955 9.963 ( 0.030 -4.213 0.908) 4.310 9.987 ( 0.021 -4.812 0.247) 4.819 ======================= Grid point 92 (49/91) ======================= q-point: ( 0.40 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 3.038 6.197 -2.871) 7.475 1.908 ( -0.300 4.551 -0.927) 4.654 1.912 ( 1.894 1.622 -2.064) 3.237 2.042 ( 4.114 3.305 -0.497) 5.300 2.096 ( -1.417 4.098 -0.921) 4.433 2.157 ( -0.956 4.334 -0.280) 4.447 2.196 ( 0.386 3.543 -4.765) 5.951 2.248 ( 0.383 -1.502 -0.470) 1.620 2.356 ( -2.496 1.938 -1.105) 3.347 2.424 ( 2.523 1.423 -0.501) 2.939 2.519 ( -0.434 -1.845 0.701) 2.021 2.649 ( -3.150 -0.734 -4.567) 5.596 2.732 ( -1.744 -4.597 3.832) 6.234 2.900 ( 4.333 -6.043 2.927) 7.991 2.952 ( -2.967 -5.637 2.686) 6.913 3.066 ( 3.024 -5.088 8.087) 10.022 3.249 ( -4.881 4.270 -3.816) 7.525 3.448 ( -2.251 -0.285 -8.024) 8.339 3.564 ( 0.433 11.837 5.509) 13.064 3.735 ( 2.236 5.822 3.831) 7.320 4.122 ( -3.333 9.587 1.203) 10.221 4.150 ( -2.263 9.579 -6.578) 11.839 4.315 ( 2.875 11.896 1.151) 12.292 4.381 ( 2.010 10.219 3.509) 10.990 5.278 ( 0.290 2.215 -0.067) 2.235 5.311 ( -1.568 1.464 -0.007) 2.145 5.893 ( 0.698 1.710 0.385) 1.887 5.968 ( 0.507 0.943 -0.579) 1.217 6.172 ( -0.532 6.811 1.372) 6.968 6.433 ( -1.589 3.650 0.303) 3.993 6.507 ( -1.066 3.249 0.493) 3.455 6.566 ( 0.641 2.039 -0.046) 2.138 6.572 ( 2.107 -1.783 -0.575) 2.819 6.613 ( 1.512 -1.082 0.379) 1.897 6.681 ( -3.973 -1.323 -1.359) 4.403 6.788 ( 0.702 1.031 -3.887) 4.082 6.833 ( -0.410 -1.218 0.032) 1.286 6.926 ( 1.994 0.343 2.142) 2.947 7.137 ( 0.990 -0.514 1.394) 1.785 7.215 ( -1.652 -3.002 2.173) 4.058 7.264 ( -0.633 3.863 1.468) 4.181 7.358 ( 2.553 1.074 0.044) 2.770 7.415 ( 0.624 3.367 1.677) 3.813 7.537 ( -5.553 1.810 1.865) 6.131 7.673 ( -0.008 -1.993 -0.560) 2.070 7.823 ( -0.365 -5.334 -1.379) 5.522 8.060 ( -0.034 6.185 -1.458) 6.355 8.100 ( 5.396 6.098 -3.095) 8.711 8.258 ( 6.778 0.754 -0.754) 6.861 8.344 ( -1.886 4.083 -2.075) 4.953 8.481 ( -0.243 -6.676 -3.218) 7.415 8.559 ( -1.106 -3.240 -0.567) 3.471 8.657 ( -2.643 4.160 1.868) 5.271 8.831 ( -2.099 -0.906 1.352) 2.656 9.141 ( 1.971 6.312 -1.294) 6.738 9.285 ( -1.379 3.497 0.349) 3.775 9.383 ( -0.133 -3.339 4.188) 5.358 9.644 ( 0.239 -7.062 -1.867) 7.308 9.963 ( -0.355 -4.145 0.360) 4.176 9.993 ( 0.135 -4.433 0.615) 4.478 ======================= Grid point 93 (50/91) ======================= q-point: (-0.40 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 1.450 5.408 -1.845) 5.895 1.873 ( -1.762 4.147 -2.302) 5.060 1.926 ( 0.790 3.196 -0.917) 3.418 2.099 ( 2.294 5.182 -1.235) 5.800 2.109 ( -1.873 4.363 0.478) 4.772 2.139 ( 3.690 -0.927 -2.738) 4.687 2.173 ( -1.199 5.883 -0.796) 6.056 2.288 ( 4.374 0.558 0.435) 4.431 2.318 ( 0.312 0.085 -3.116) 3.133 2.451 ( -0.673 1.647 -1.781) 2.517 2.505 ( -0.421 -4.692 -1.291) 4.884 2.547 ( -2.805 -1.022 -1.682) 3.427 2.724 ( -1.075 -3.203 1.180) 3.579 2.907 ( -3.726 -2.285 6.010) 7.431 3.005 ( 1.454 -8.728 3.632) 9.564 3.107 ( -3.597 -0.045 2.605) 4.441 3.224 ( 5.646 -0.354 1.732) 5.916 3.365 ( -0.666 -1.470 -7.996) 8.157 3.640 ( 2.928 12.505 6.557) 14.420 3.803 ( 2.575 8.426 2.026) 9.040 4.056 ( -3.406 8.057 -6.101) 10.664 4.066 ( -1.886 9.634 -1.388) 9.915 4.358 ( 0.137 11.786 2.652) 12.082 4.406 ( -1.093 10.415 1.910) 10.645 5.294 ( 0.242 1.881 0.373) 1.933 5.303 ( 1.775 1.566 -0.283) 2.384 5.897 ( -0.618 1.814 0.393) 1.956 5.965 ( -0.451 0.807 -0.511) 1.056 6.168 ( -0.710 6.571 1.182) 6.714 6.409 ( -0.565 4.271 -0.287) 4.317 6.499 ( -0.372 3.077 0.520) 3.143 6.561 ( -0.891 0.704 -0.423) 1.212 6.597 ( -2.242 0.699 0.689) 2.448 6.605 ( 0.571 -1.443 -0.234) 1.569 6.660 ( 2.302 -1.925 -1.251) 3.251 6.766 ( 0.286 3.509 -4.036) 5.356 6.862 ( 2.387 -4.969 0.821) 5.573 6.972 ( 1.324 0.626 1.699) 2.243 7.142 ( -1.253 -1.515 0.719) 2.093 7.213 ( -0.435 -2.086 3.156) 3.808 7.261 ( -0.383 5.001 1.646) 5.278 7.394 ( 1.870 1.937 1.419) 3.044 7.419 ( -6.357 2.148 1.321) 6.839 7.481 ( 2.730 1.586 0.458) 3.190 7.651 ( -1.104 -1.232 -1.485) 2.223 7.825 ( 1.089 -5.089 -1.550) 5.431 8.014 ( -2.550 5.639 -1.704) 6.419 8.164 ( 2.104 5.188 -1.257) 5.738 8.253 ( -5.619 1.664 -2.242) 6.274 8.388 ( 6.535 0.397 -2.676) 7.073 8.464 ( -0.004 -0.765 0.143) 0.778 8.580 ( 3.292 -4.013 -0.813) 5.254 8.637 ( 0.713 2.478 -0.351) 2.602 8.795 ( -2.766 -0.708 1.607) 3.276 9.178 ( 2.384 6.304 -1.176) 6.841 9.268 ( -0.568 2.545 0.776) 2.721 9.380 ( -2.831 -2.988 3.830) 5.622 9.649 ( 1.399 -6.991 -1.658) 7.320 9.957 ( -0.525 -3.759 0.317) 3.809 9.997 ( -0.172 -4.565 0.614) 4.609 ======================= Grid point 94 (51/91) ======================= q-point: (-0.20 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -3.804 7.338 0.410) 8.275 1.873 ( 1.452 6.422 -1.970) 6.872 1.938 ( 0.781 2.317 -0.494) 2.495 2.061 ( -1.873 7.366 -3.563) 8.394 2.129 ( -0.078 -0.465 -1.081) 1.180 2.141 ( 2.424 3.887 -0.541) 4.613 2.214 ( 3.255 1.403 -1.546) 3.867 2.306 ( 0.934 -0.469 -4.169) 4.298 2.342 ( -2.240 -1.598 1.065) 2.950 2.432 ( 2.453 -1.615 -2.025) 3.567 2.469 ( 2.150 1.974 -5.109) 5.884 2.587 ( 2.002 -2.074 6.500) 7.111 2.701 ( -1.893 -1.166 0.525) 2.285 2.891 ( -3.334 -0.996 6.883) 7.713 2.927 ( -4.817 -4.904 -1.303) 6.996 3.126 ( -0.520 -6.974 -0.619) 7.021 3.327 ( 4.245 -1.342 -0.618) 4.495 3.367 ( 3.562 0.229 3.564) 5.044 3.741 ( 3.743 10.809 2.326) 11.673 3.811 ( -2.311 9.895 -3.652) 10.798 3.961 ( -1.390 11.403 -4.601) 12.374 4.074 ( 2.016 8.269 4.099) 9.447 4.352 ( -2.376 10.595 2.452) 11.132 4.374 ( -2.885 10.261 0.317) 10.664 5.302 ( 0.645 1.755 -0.567) 1.954 5.345 ( 2.151 1.257 0.124) 2.494 5.880 ( -1.267 1.478 0.583) 2.032 5.949 ( -0.737 0.697 -0.211) 1.036 6.164 ( -0.704 6.470 1.677) 6.721 6.414 ( 1.418 3.238 -0.848) 3.635 6.498 ( 0.075 3.438 0.100) 3.440 6.533 ( -1.580 -1.596 -0.667) 2.343 6.559 ( -0.882 3.252 -0.106) 3.371 6.620 ( -0.599 2.264 2.018) 3.091 6.704 ( 2.522 -2.045 -0.109) 3.249 6.755 ( 1.131 1.706 -2.933) 3.577 6.899 ( 1.228 -6.090 -1.701) 6.441 6.991 ( -0.552 0.438 1.327) 1.503 7.127 ( -0.135 -0.972 0.667) 1.187 7.218 ( -1.110 -1.923 3.035) 3.761 7.282 ( -1.279 3.465 1.806) 4.111 7.297 ( -4.015 4.280 1.524) 6.063 7.464 ( 3.346 1.599 2.419) 4.428 7.507 ( -0.045 -0.475 -1.974) 2.031 7.642 ( 1.268 -0.982 -0.700) 1.749 7.826 ( 0.319 -0.622 -2.278) 2.382 7.974 ( -0.411 2.199 -0.637) 2.326 8.108 ( -6.134 -0.832 -1.258) 6.317 8.189 ( 0.116 4.797 -1.531) 5.037 8.452 ( 3.185 -0.941 -4.210) 5.362 8.463 ( -1.741 3.426 2.647) 4.666 8.633 ( 2.822 -2.952 -1.999) 4.547 8.682 ( 1.837 0.416 0.860) 2.071 8.775 ( 2.101 0.729 -1.431) 2.645 9.189 ( -0.399 3.430 -1.482) 3.758 9.285 ( 0.935 3.295 2.556) 4.274 9.340 ( -3.423 -1.902 3.433) 5.207 9.665 ( 1.287 -6.583 -1.748) 6.931 9.951 ( -0.375 -3.652 0.669) 3.732 9.995 ( -0.363 -4.956 0.429) 4.988 ======================= Grid point 95 (52/91) ======================= q-point: ( 0.00 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( -0.390 3.544 -0.794) 3.653 1.922 ( -0.318 -0.419 -0.852) 1.001 1.989 ( 0.590 2.632 -1.601) 3.137 2.044 ( 0.321 -2.556 -2.371) 3.501 2.186 ( -0.353 5.270 -1.757) 5.567 2.253 ( -0.427 2.024 -0.632) 2.163 2.277 ( -1.416 1.923 1.124) 2.639 2.295 ( 1.389 1.111 -1.130) 2.107 2.318 ( 2.648 -1.207 0.446) 2.944 2.348 ( 0.427 -3.859 -1.233) 4.074 2.563 ( 1.921 2.585 0.543) 3.266 2.623 ( 4.130 -3.140 1.544) 5.414 2.690 ( -2.249 1.990 -2.499) 3.907 2.758 ( -1.850 -4.516 -0.798) 4.945 2.862 ( -2.703 -0.351 3.356) 4.323 2.908 ( -1.560 -5.513 0.520) 5.753 3.418 ( 1.856 1.237 3.485) 4.138 3.445 ( 2.842 -1.526 3.921) 5.077 3.824 ( -4.508 4.036 -4.745) 7.689 3.842 ( -2.798 2.209 -4.938) 6.090 4.253 ( 5.398 7.339 3.631) 9.807 4.296 ( 5.348 2.789 2.753) 6.630 4.450 ( -3.707 3.888 0.374) 5.385 4.453 ( -4.051 3.660 0.039) 5.460 5.343 ( -0.058 1.921 -0.388) 1.960 5.372 ( 0.003 -0.780 0.002) 0.780 5.900 ( -0.222 2.125 0.248) 2.151 5.938 ( 0.152 -1.259 -0.133) 1.275 6.308 ( 0.086 7.095 1.154) 7.189 6.431 ( 0.835 -4.420 -1.519) 4.748 6.508 ( 0.421 3.366 -0.091) 3.393 6.572 ( 0.222 -0.648 0.610) 0.917 6.634 ( -0.170 3.901 0.394) 3.925 6.661 ( -1.195 3.014 0.611) 3.299 6.701 ( 1.020 -2.460 0.609) 2.731 6.748 ( -0.915 -5.215 -0.958) 5.381 6.835 ( 1.495 4.976 -0.239) 5.201 6.948 ( -1.249 -3.734 0.870) 4.033 7.111 ( 0.253 -1.076 0.060) 1.107 7.127 ( -1.093 -2.894 0.559) 3.143 7.313 ( -1.964 2.820 2.176) 4.067 7.344 ( -2.354 0.407 2.210) 3.254 7.493 ( 0.900 2.358 -0.844) 2.662 7.542 ( 2.590 -1.988 0.694) 3.338 7.674 ( 0.353 2.804 -0.248) 2.837 7.764 ( 0.421 -5.546 -0.745) 5.612 8.014 ( 0.906 2.426 -0.773) 2.702 8.038 ( 0.328 0.459 -1.389) 1.499 8.264 ( -0.200 4.677 -2.273) 5.203 8.370 ( 0.735 -5.685 -3.670) 6.807 8.517 ( -1.090 3.498 -1.474) 3.949 8.581 ( -0.682 -2.970 -1.429) 3.366 8.772 ( 0.744 3.643 1.873) 4.163 8.826 ( 2.232 -1.698 0.179) 2.810 9.206 ( -1.303 2.415 1.107) 2.959 9.256 ( -0.900 -2.590 2.826) 3.937 9.428 ( 0.130 5.755 -0.220) 5.761 9.546 ( 0.228 -5.951 -1.249) 6.085 9.905 ( -0.073 -0.909 0.536) 1.057 9.917 ( -0.268 -2.087 0.300) 2.126 ======================= Grid point 96 (53/91) ======================= q-point: ( 0.20 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 1.206 2.854 -1.832) 3.599 1.913 ( 0.403 -0.430 -1.724) 1.822 1.989 ( 0.486 2.852 -1.458) 3.239 2.040 ( 0.802 -1.599 -2.129) 2.781 2.169 ( -0.300 3.298 -1.159) 3.508 2.221 ( -1.703 -0.580 -0.537) 1.877 2.263 ( -0.912 4.008 1.321) 4.317 2.308 ( 0.688 3.596 -3.506) 5.069 2.346 ( -0.210 -2.893 1.121) 3.110 2.374 ( 3.073 -2.216 -0.996) 3.918 2.578 ( -1.673 3.757 3.450) 5.368 2.648 ( 0.241 0.282 -3.707) 3.726 2.697 ( 2.337 -5.630 1.964) 6.404 2.708 ( -2.344 -4.688 -2.455) 5.788 2.863 ( 0.461 0.266 4.040) 4.075 2.912 ( -0.114 -4.109 4.353) 5.987 3.422 ( -2.494 3.002 -0.375) 3.921 3.480 ( -0.837 -2.675 -0.648) 2.877 3.736 ( -2.482 5.112 0.089) 5.684 3.773 ( -1.402 1.411 -0.560) 2.067 4.335 ( -1.181 5.962 0.060) 6.078 4.367 ( -2.483 2.765 -3.330) 4.990 4.413 ( 4.023 5.228 1.705) 6.813 4.437 ( 3.200 3.092 4.282) 6.176 5.330 ( -0.885 1.930 -0.302) 2.145 5.356 ( -1.477 -0.513 -0.005) 1.563 5.911 ( 1.122 2.241 0.162) 2.511 5.951 ( 1.100 -1.308 -0.156) 1.716 6.316 ( -0.107 7.329 1.276) 7.440 6.441 ( 1.223 -3.850 -1.998) 4.507 6.526 ( 1.441 1.281 0.049) 1.929 6.566 ( -1.160 -1.027 0.828) 1.756 6.622 ( -1.368 3.228 0.457) 3.535 6.638 ( -1.419 3.264 0.474) 3.590 6.693 ( -2.038 -1.821 0.689) 2.818 6.736 ( 0.142 -4.000 -0.822) 4.086 6.876 ( 2.708 2.920 -0.499) 4.013 6.920 ( -1.777 -0.345 0.064) 1.811 7.105 ( -0.348 -0.724 0.585) 0.994 7.132 ( 0.271 -3.905 1.601) 4.229 7.316 ( 0.565 1.799 0.938) 2.106 7.336 ( 0.733 0.499 0.702) 1.131 7.492 ( -0.951 3.898 0.988) 4.132 7.572 ( -0.264 -3.439 1.915) 3.945 7.663 ( -1.140 2.757 -0.259) 2.995 7.749 ( -1.302 -5.288 -0.749) 5.497 8.073 ( 5.790 2.922 -0.922) 6.550 8.099 ( 6.907 0.755 -2.721) 7.462 8.246 ( -0.286 4.584 -2.050) 5.029 8.359 ( 0.640 -6.270 -3.839) 7.380 8.476 ( -2.110 3.581 -1.939) 4.587 8.542 ( -2.527 -3.149 -1.128) 4.192 8.775 ( -1.760 3.817 2.418) 4.849 8.834 ( -1.642 -2.069 1.223) 2.911 9.212 ( 1.289 3.707 0.420) 3.947 9.279 ( 1.337 -3.145 2.443) 4.201 9.412 ( -1.578 5.548 -0.098) 5.769 9.530 ( -0.952 -6.105 -1.215) 6.297 9.910 ( 0.131 -1.056 0.491) 1.172 9.919 ( 0.266 -1.943 0.374) 1.996 ======================= Grid point 97 (54/91) ======================= q-point: ( 0.40 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 1.491 1.763 -2.806) 3.634 1.917 ( 1.526 -0.218 -2.840) 3.232 1.989 ( 0.446 3.179 -1.266) 3.451 2.049 ( 1.259 -2.351 -1.316) 2.974 2.160 ( 0.370 3.264 -0.798) 3.381 2.206 ( 0.151 -1.032 -0.383) 1.111 2.262 ( 0.127 3.520 0.816) 3.616 2.287 ( -0.196 3.585 -2.505) 4.378 2.349 ( 0.029 -0.659 0.471) 0.810 2.419 ( 2.940 -2.978 -1.621) 4.488 2.520 ( -4.979 2.593 -0.529) 5.638 2.600 ( -5.806 -4.547 -2.092) 7.665 2.684 ( 2.076 1.450 0.714) 2.631 2.766 ( 3.338 -5.996 2.095) 7.175 2.898 ( -0.510 0.549 5.440) 5.492 2.958 ( 0.991 -4.801 7.196) 8.707 3.341 ( -3.275 4.269 -5.316) 7.564 3.413 ( -2.772 -2.769 -6.841) 7.883 3.744 ( 1.119 5.861 5.775) 8.304 3.799 ( 1.880 0.362 5.437) 5.765 4.273 ( -2.838 4.684 -3.564) 6.534 4.288 ( -2.371 3.332 -5.449) 6.813 4.500 ( 2.526 5.622 3.099) 6.899 4.524 ( 2.208 3.282 3.565) 5.325 5.316 ( -0.180 1.437 -0.060) 1.449 5.330 ( -1.063 0.177 0.034) 1.078 5.933 ( 0.853 2.116 0.017) 2.282 5.967 ( 0.600 -0.996 -0.218) 1.183 6.316 ( -0.635 7.324 0.853) 7.400 6.448 ( 1.034 -4.473 -2.297) 5.134 6.546 ( -0.993 0.908 0.109) 1.350 6.549 ( 0.182 0.308 0.244) 0.433 6.603 ( -0.559 1.786 0.611) 1.968 6.622 ( -0.815 1.129 1.462) 2.019 6.660 ( -0.989 0.852 -0.437) 1.376 6.734 ( -0.032 -4.208 0.469) 4.234 6.881 ( -0.856 3.184 -2.027) 3.870 6.924 ( 1.549 -0.942 0.178) 1.822 7.113 ( 0.034 -0.371 1.996) 2.030 7.147 ( 0.122 -3.268 1.792) 3.729 7.332 ( 0.601 2.693 0.894) 2.901 7.367 ( 1.794 -0.588 0.131) 1.892 7.484 ( -0.525 3.838 1.235) 4.066 7.558 ( -2.716 -1.995 1.940) 3.888 7.640 ( -0.487 1.449 -1.023) 1.839 7.717 ( -1.388 -4.928 0.023) 5.120 8.179 ( 2.860 5.212 -0.775) 5.995 8.211 ( 5.249 5.043 -5.902) 9.371 8.252 ( 5.432 -1.410 -0.299) 5.620 8.333 ( -1.272 -6.057 -4.721) 7.784 8.428 ( -0.973 2.611 -0.734) 2.881 8.487 ( -1.704 -3.267 -0.684) 3.748 8.744 ( -3.010 3.710 2.578) 5.429 8.802 ( -2.658 -2.093 2.302) 4.092 9.248 ( 2.158 4.261 -0.380) 4.792 9.318 ( 0.611 -2.955 2.059) 3.653 9.379 ( -1.455 5.511 0.072) 5.701 9.505 ( -0.542 -6.709 -0.971) 6.800 9.914 ( -0.019 -0.801 0.411) 0.901 9.927 ( 0.159 -2.025 0.547) 2.103 ======================= Grid point 98 (55/91) ======================= q-point: (-0.40 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 1.149 1.759 -2.501) 3.267 1.927 ( 1.302 0.140 -2.553) 2.870 1.989 ( 0.363 3.390 -1.201) 3.615 2.061 ( 0.564 -3.835 -0.842) 3.966 2.177 ( 1.548 3.202 -1.070) 3.714 2.210 ( 1.054 0.898 -0.608) 1.512 2.260 ( -0.375 2.750 -0.100) 2.778 2.295 ( 1.618 -0.073 -0.767) 1.792 2.353 ( -0.486 4.394 -1.318) 4.613 2.439 ( -1.433 -0.781 -0.481) 1.702 2.456 ( -4.826 -1.416 0.314) 5.039 2.479 ( 2.006 -5.238 -2.393) 6.098 2.721 ( 1.088 3.006 0.535) 3.241 2.825 ( 1.154 -6.693 1.345) 6.924 2.916 ( -2.052 1.881 6.153) 6.754 3.008 ( -1.518 -6.328 6.301) 9.058 3.277 ( 1.047 3.384 -3.946) 5.303 3.332 ( -0.406 -2.054 -5.927) 6.285 3.826 ( 2.819 6.049 5.966) 8.952 3.884 ( 2.808 0.273 5.130) 5.855 4.198 ( -2.065 5.055 -4.784) 7.260 4.216 ( -1.202 3.558 -5.600) 6.742 4.535 ( -0.883 5.219 3.026) 6.097 4.553 ( -1.181 3.491 2.620) 4.522 5.323 ( 0.340 0.904 0.014) 0.966 5.327 ( 1.253 0.579 0.042) 1.381 5.935 ( -0.660 1.952 0.012) 2.061 5.966 ( -0.611 -0.825 -0.223) 1.051 6.307 ( -0.717 7.144 0.525) 7.199 6.446 ( 0.203 -5.537 -2.104) 5.927 6.525 ( -0.994 2.765 -0.088) 2.940 6.550 ( -0.082 1.256 0.158) 1.269 6.615 ( 1.329 0.753 0.923) 1.785 6.621 ( -0.125 0.664 0.726) 0.992 6.660 ( 0.667 2.033 0.159) 2.145 6.746 ( 0.909 -5.754 0.509) 5.847 6.854 ( -0.760 4.750 -1.757) 5.122 6.944 ( 0.597 -3.517 0.141) 3.570 7.118 ( -0.792 0.179 1.597) 1.791 7.154 ( -0.696 -2.961 1.799) 3.533 7.352 ( 0.602 3.590 1.832) 4.075 7.400 ( 1.064 -1.155 1.662) 2.286 7.468 ( -2.470 2.914 0.026) 3.821 7.514 ( -1.797 -0.273 0.523) 1.891 7.635 ( 0.715 1.349 -1.229) 1.960 7.713 ( 1.055 -5.348 -0.095) 5.452 8.129 ( -3.964 5.571 -2.106) 7.154 8.219 ( -5.739 -2.197 -0.971) 6.221 8.281 ( 2.020 3.313 -4.251) 5.756 8.353 ( 3.971 -3.313 -3.529) 6.261 8.464 ( 4.700 1.578 -0.657) 5.001 8.510 ( 4.450 -2.904 -0.883) 5.386 8.712 ( -1.572 3.680 2.183) 4.558 8.769 ( -2.202 -2.023 2.430) 3.853 9.265 ( -0.468 2.852 -0.488) 2.931 9.312 ( -2.338 -1.489 2.369) 3.647 9.378 ( 1.234 5.388 0.019) 5.528 9.509 ( 1.520 -6.873 -0.846) 7.089 9.913 ( -0.365 -0.602 0.419) 0.819 9.929 ( -0.342 -2.116 0.564) 2.216 ======================= Grid point 99 (56/91) ======================= q-point: (-0.20 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( -0.316 2.783 -1.261) 3.072 1.930 ( 0.231 0.021 -1.183) 1.205 1.988 ( 0.533 2.959 -1.532) 3.375 2.056 ( -0.114 -3.879 -1.608) 4.201 2.190 ( 1.002 5.308 -1.623) 5.640 2.250 ( 2.829 2.902 -1.500) 4.322 2.257 ( 0.245 2.538 0.869) 2.693 2.304 ( -0.655 0.193 -1.112) 1.305 2.316 ( -2.208 -0.778 0.810) 2.477 2.354 ( -1.069 -4.829 -2.933) 5.751 2.496 ( 4.256 1.450 0.972) 4.600 2.542 ( 3.503 -2.357 0.870) 4.311 2.729 ( -0.415 3.206 -0.494) 3.271 2.816 ( -2.797 -5.196 -0.762) 5.950 2.885 ( -3.111 1.294 4.029) 5.253 2.971 ( -4.214 -6.940 0.757) 8.155 3.333 ( 4.558 1.063 0.987) 4.783 3.355 ( 3.883 -0.972 1.763) 4.374 3.887 ( 0.518 4.419 -0.031) 4.450 3.918 ( -1.631 1.497 -1.541) 2.698 4.166 ( 1.789 6.844 -0.986) 7.142 4.203 ( 2.663 3.007 -0.192) 4.021 4.511 ( -3.355 4.564 2.225) 6.086 4.521 ( -3.482 3.661 1.481) 5.265 5.336 ( 0.851 1.504 -0.237) 1.745 5.356 ( 1.506 -0.310 0.046) 1.539 5.915 ( -1.303 1.948 0.175) 2.350 5.948 ( -0.924 -0.985 -0.192) 1.364 6.302 ( -0.197 7.024 0.771) 7.069 6.434 ( 0.004 -5.304 -1.714) 5.574 6.510 ( -0.426 3.922 -0.186) 3.949 6.557 ( 0.656 1.031 0.436) 1.297 6.627 ( 0.454 2.373 0.362) 2.443 6.660 ( 2.296 -0.681 0.924) 2.567 6.670 ( 0.090 1.765 0.441) 1.821 6.761 ( 0.304 -6.412 -0.484) 6.437 6.831 ( -0.506 5.622 -1.046) 5.741 6.953 ( -0.091 -4.892 1.071) 5.009 7.109 ( -0.565 0.258 0.477) 0.783 7.146 ( -1.164 -3.205 1.133) 3.594 7.365 ( -3.451 2.965 3.655) 5.836 7.371 ( -2.771 2.507 2.009) 4.243 7.476 ( 2.615 0.038 0.661) 2.698 7.491 ( 0.630 -1.295 -2.408) 2.806 7.655 ( 1.685 2.713 -0.546) 3.240 7.743 ( 2.038 -5.446 -0.827) 5.873 8.045 ( -3.231 3.806 -1.203) 5.136 8.099 ( -5.248 -1.284 -1.160) 5.526 8.280 ( 0.241 4.472 -2.453) 5.107 8.374 ( 1.414 -4.817 -3.526) 6.135 8.528 ( 1.438 2.634 -0.889) 3.130 8.578 ( 2.613 -2.541 -2.084) 4.199 8.730 ( 1.839 2.877 1.984) 3.949 8.772 ( 1.742 -1.133 1.294) 2.448 9.236 ( -2.041 1.921 0.310) 2.820 9.276 ( -2.934 -2.067 2.874) 4.598 9.410 ( 1.760 6.025 -0.194) 6.280 9.536 ( 1.569 -6.338 -1.039) 6.611 9.907 ( -0.468 -0.640 0.452) 0.912 9.923 ( -0.579 -2.173 0.452) 2.294 ======================= Grid point 130 (57/91) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -0.702 0.000 15.978) 15.993 0.861 ( 3.751 0.000 17.977) 18.364 0.992 ( 1.289 0.000 -2.591) 2.894 1.200 ( -3.341 0.000 -14.952) 15.321 1.323 ( -0.933 0.000 -9.717) 9.761 1.513 ( -3.003 0.000 -6.209) 6.897 1.723 ( -1.761 0.000 40.071) 40.109 1.872 ( 0.348 0.000 -0.880) 0.946 1.966 ( -0.123 0.000 3.861) 3.863 2.022 ( 0.118 0.000 -1.776) 1.780 2.081 ( 0.559 0.000 0.288) 0.629 2.139 ( -1.564 0.000 -1.472) 2.148 2.206 ( -0.495 0.000 -0.206) 0.537 2.288 ( 4.506 0.000 -3.252) 5.556 2.397 ( 11.712 0.000 -2.525) 11.982 2.548 ( -6.118 0.000 -14.202) 15.464 2.606 ( -0.212 0.000 -14.344) 14.345 2.776 ( -3.968 0.000 -3.926) 5.582 3.508 ( 11.817 0.000 1.797) 11.953 3.511 ( -12.162 0.000 0.754) 12.186 3.920 ( -0.189 0.000 7.791) 7.793 4.048 ( 2.158 0.000 3.564) 4.166 4.165 ( 3.016 0.000 3.510) 4.627 4.394 ( -3.991 0.000 -6.317) 7.472 5.341 ( 0.818 0.000 2.401) 2.537 5.434 ( -1.755 0.000 -1.886) 2.576 5.520 ( 0.193 0.000 -0.267) 0.330 5.793 ( 0.912 0.000 1.621) 1.860 5.979 ( -2.060 0.000 -2.289) 3.080 6.052 ( -0.810 0.000 0.847) 1.172 6.125 ( 2.095 0.000 -0.160) 2.102 6.285 ( 0.825 0.000 1.446) 1.664 6.380 ( -7.101 0.000 2.335) 7.475 6.518 ( 3.767 0.000 2.495) 4.519 6.574 ( 5.005 0.000 -3.016) 5.843 6.597 ( -4.112 0.000 -3.529) 5.418 6.726 ( 0.363 0.000 -0.016) 0.363 6.826 ( 4.137 0.000 1.251) 4.322 6.916 ( 1.215 0.000 -2.236) 2.545 6.919 ( 0.531 0.000 1.238) 1.347 7.011 ( -0.545 0.000 -0.443) 0.703 7.143 ( -2.425 0.000 2.274) 3.324 7.301 ( 2.607 0.000 1.612) 3.065 7.340 ( 0.300 0.000 -0.401) 0.501 7.458 ( -0.185 0.000 0.141) 0.232 7.528 ( 0.005 0.000 0.023) 0.024 7.575 ( -2.071 0.000 -4.879) 5.300 7.614 ( -1.093 0.000 0.388) 1.160 8.056 ( -3.977 0.000 1.326) 4.192 8.111 ( 3.454 0.000 3.086) 4.632 8.494 ( 1.127 0.000 -0.819) 1.393 8.619 ( 0.977 0.000 -1.074) 1.452 8.649 ( -0.192 0.000 0.523) 0.557 8.987 ( 4.550 0.000 0.500) 4.577 9.057 ( -4.578 0.000 -6.388) 7.859 9.281 ( 1.288 0.000 1.778) 2.195 9.860 ( -3.025 0.000 4.569) 5.480 10.215 ( 1.384 0.000 -0.803) 1.601 10.735 ( -1.142 0.000 0.991) 1.512 10.856 ( 0.678 0.000 -2.077) 2.185 ======================= Grid point 131 (58/91) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -0.899 0.000 7.763) 7.815 1.049 ( 7.001 0.000 -3.308) 7.743 1.054 ( 7.161 0.000 -1.322) 7.282 1.107 ( 2.464 0.000 2.536) 3.536 1.234 ( -3.823 0.000 -2.835) 4.759 1.420 ( -4.496 0.000 3.475) 5.683 1.837 ( -2.380 0.000 0.061) 2.381 1.998 ( -0.267 0.000 0.073) 0.277 2.002 ( -4.802 0.000 1.334) 4.984 2.038 ( 3.228 0.000 -0.380) 3.250 2.075 ( -0.776 0.000 -0.814) 1.125 2.109 ( 4.939 0.000 11.445) 12.465 2.201 ( -0.308 0.000 0.880) 0.933 2.231 ( -2.583 0.000 12.438) 12.704 2.336 ( -5.604 0.000 -13.674) 14.778 2.423 ( 10.009 0.000 -23.632) 25.664 2.736 ( 11.279 0.000 4.136) 12.014 2.843 ( -0.830 0.000 2.755) 2.878 3.161 ( -14.713 0.000 -0.531) 14.723 3.754 ( 8.179 0.000 0.842) 8.222 3.945 ( -0.965 0.000 4.825) 4.920 4.053 ( -1.675 0.000 -5.372) 5.627 4.141 ( -5.594 0.000 -5.274) 7.688 4.384 ( 3.814 0.000 6.779) 7.779 5.338 ( -2.421 0.000 -1.953) 3.111 5.420 ( 1.534 0.000 3.955) 4.242 5.512 ( -0.645 0.000 -0.471) 0.798 5.809 ( 0.245 0.000 -1.506) 1.526 5.971 ( 1.222 0.000 3.538) 3.744 6.037 ( -2.591 0.000 0.724) 2.690 6.112 ( -2.073 0.000 -3.208) 3.819 6.293 ( -3.921 0.000 8.125) 9.022 6.308 ( 1.473 0.000 -0.902) 1.727 6.465 ( -5.425 0.000 -3.706) 6.570 6.623 ( 3.026 0.000 3.630) 4.725 6.656 ( 5.138 0.000 -3.929) 6.468 6.742 ( 1.632 0.000 -0.599) 1.739 6.816 ( -3.905 0.000 -1.995) 4.385 6.828 ( -4.028 0.000 -5.661) 6.948 6.915 ( -1.252 0.000 -0.523) 1.357 7.010 ( 0.310 0.000 0.878) 0.931 7.216 ( 4.857 0.000 2.813) 5.613 7.277 ( -3.942 0.000 -4.460) 5.952 7.340 ( 0.030 0.000 -0.722) 0.723 7.459 ( 0.053 0.000 0.401) 0.405 7.529 ( 0.122 0.000 -0.002) 0.122 7.547 ( -3.483 0.000 2.859) 4.506 7.639 ( 6.229 0.000 1.315) 6.366 7.940 ( -5.533 0.000 1.150) 5.651 8.258 ( 7.287 0.000 1.727) 7.489 8.480 ( -0.973 0.000 -0.946) 1.357 8.574 ( -4.735 0.000 1.586) 4.994 8.714 ( 4.279 0.000 -1.820) 4.650 8.933 ( -2.217 0.000 -5.494) 5.924 9.112 ( 5.196 0.000 2.025) 5.576 9.324 ( 3.046 0.000 -2.101) 3.700 9.850 ( -1.432 0.000 5.650) 5.829 10.223 ( 0.549 0.000 -2.554) 2.612 10.683 ( -4.926 0.000 2.150) 5.375 10.817 ( -3.033 0.000 -0.821) 3.143 ======================= Grid point 132 (59/91) ======================= q-point: ( 0.40 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -4.607 0.000 7.325) 8.654 1.076 ( -4.148 0.000 2.060) 4.632 1.103 ( 1.349 0.000 -12.664) 12.735 1.223 ( 3.624 0.000 6.502) 7.444 1.272 ( 10.669 0.000 -4.519) 11.587 1.481 ( 7.753 0.000 10.859) 13.343 1.816 ( -0.150 0.000 1.301) 1.310 1.839 ( -6.866 0.000 -2.866) 7.440 1.960 ( -2.108 0.000 -2.740) 3.457 1.966 ( -7.370 0.000 -6.683) 9.949 2.059 ( -0.377 0.000 -0.184) 0.419 2.100 ( 2.440 0.000 0.208) 2.448 2.186 ( -1.317 0.000 -10.296) 10.380 2.198 ( -0.534 0.000 0.918) 1.062 2.468 ( -13.551 0.000 -0.620) 13.566 2.539 ( -1.391 0.000 -9.059) 9.166 2.687 ( 15.993 0.000 25.630) 30.210 2.946 ( 7.489 0.000 0.916) 7.545 3.145 ( 6.004 0.000 -0.128) 6.005 3.786 ( -13.401 0.000 -18.222) 22.619 3.831 ( -0.958 0.000 2.579) 2.751 3.965 ( 0.789 0.000 2.014) 2.163 4.120 ( 0.612 0.000 1.973) 2.066 4.507 ( 3.766 0.000 5.467) 6.639 5.272 ( -2.299 0.000 -1.595) 2.798 5.498 ( -0.331 0.000 -0.524) 0.620 5.540 ( 7.125 0.000 7.026) 10.006 5.789 ( -0.811 0.000 -1.643) 1.832 5.899 ( -8.885 0.000 -5.500) 10.450 6.055 ( 3.502 0.000 6.623) 7.492 6.098 ( 1.308 0.000 -0.450) 1.383 6.307 ( -1.638 0.000 -7.220) 7.403 6.318 ( -0.302 0.000 8.451) 8.457 6.358 ( -2.089 0.000 0.634) 2.183 6.668 ( -1.074 0.000 -5.160) 5.271 6.684 ( 1.153 0.000 3.034) 3.246 6.712 ( -4.372 0.000 0.169) 4.375 6.778 ( 2.378 0.000 -0.680) 2.473 6.792 ( 3.317 0.000 -6.178) 7.012 6.875 ( -2.235 0.000 -0.816) 2.379 7.025 ( 0.412 0.000 0.976) 1.060 7.155 ( -4.955 0.000 -4.050) 6.400 7.267 ( 0.151 0.000 -0.706) 0.722 7.334 ( -0.009 0.000 -0.795) 0.795 7.464 ( 0.089 0.000 0.439) 0.448 7.531 ( 0.063 0.000 -0.010) 0.064 7.547 ( 1.401 0.000 4.455) 4.670 7.773 ( 5.014 0.000 2.524) 5.614 7.872 ( -2.333 0.000 -0.043) 2.333 8.390 ( 4.687 0.000 0.412) 4.705 8.450 ( -1.713 0.000 -0.064) 1.715 8.492 ( -4.616 0.000 4.039) 6.134 8.750 ( 0.500 0.000 -0.322) 0.595 8.883 ( 0.602 0.000 -6.298) 6.327 9.204 ( 2.115 0.000 4.549) 5.017 9.350 ( 1.678 0.000 -4.695) 4.986 9.881 ( 1.534 0.000 3.292) 3.631 10.203 ( -0.486 0.000 -3.390) 3.424 10.613 ( -3.611 0.000 3.561) 5.072 10.755 ( -2.516 0.000 -0.699) 2.611 ======================= Grid point 133 (60/91) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -8.653 0.000 12.976) 15.596 0.926 ( -14.914 0.000 12.469) 19.440 1.043 ( -0.711 0.000 -5.490) 5.536 1.334 ( 6.263 0.000 -4.652) 7.801 1.405 ( 8.238 0.000 -15.514) 17.565 1.700 ( -1.474 0.000 -5.123) 5.331 1.788 ( 9.421 0.000 7.200) 11.857 1.835 ( 0.834 0.000 -0.146) 0.847 1.851 ( 2.136 0.000 -3.457) 4.064 1.917 ( -0.686 0.000 0.788) 1.045 2.004 ( -22.340 0.000 14.615) 26.696 2.056 ( -0.032 0.000 0.212) 0.214 2.109 ( -1.340 0.000 -0.686) 1.506 2.203 ( 0.621 0.000 0.436) 0.759 2.205 ( -0.791 0.000 3.600) 3.686 2.692 ( 14.048 0.000 -7.457) 15.904 2.956 ( -0.112 0.000 -5.605) 5.606 3.020 ( 3.897 0.000 1.953) 4.359 3.256 ( -4.354 0.000 -10.086) 10.986 3.519 ( 5.883 0.000 1.383) 6.044 3.770 ( -7.868 0.000 7.710) 11.016 3.990 ( -0.291 0.000 0.575) 0.644 4.142 ( 1.041 0.000 -0.101) 1.045 4.560 ( -0.524 0.000 0.155) 0.547 5.252 ( 0.726 0.000 0.425) 0.841 5.496 ( 0.509 0.000 -0.397) 0.646 5.681 ( -7.480 0.000 -6.994) 10.241 5.766 ( 9.607 0.000 7.285) 12.057 5.770 ( -0.589 0.000 0.255) 0.642 6.111 ( 0.102 0.000 -1.668) 1.671 6.159 ( 0.758 0.000 5.223) 5.278 6.191 ( -2.420 0.000 -4.562) 5.164 6.373 ( 2.192 0.000 -0.940) 2.385 6.382 ( 2.524 0.000 5.227) 5.805 6.610 ( -2.102 0.000 -1.673) 2.687 6.655 ( -2.600 0.000 2.130) 3.361 6.708 ( 0.236 0.000 0.994) 1.022 6.784 ( -1.998 0.000 -1.740) 2.649 6.816 ( 2.925 0.000 -6.055) 6.724 6.854 ( 0.829 0.000 1.254) 1.504 7.033 ( -0.037 0.000 0.236) 0.239 7.089 ( -0.652 0.000 2.542) 2.624 7.274 ( 1.981 0.000 -1.326) 2.384 7.332 ( 0.221 0.000 -0.546) 0.588 7.466 ( -0.111 0.000 0.226) 0.252 7.531 ( -0.089 0.000 0.014) 0.090 7.593 ( 0.831 0.000 0.124) 0.840 7.829 ( -2.962 0.000 -1.812) 3.473 7.852 ( 3.363 0.000 1.003) 3.510 8.327 ( -8.252 0.000 5.788) 10.079 8.452 ( -0.636 0.000 -0.201) 0.667 8.537 ( 5.530 0.000 0.391) 5.543 8.733 ( -2.576 0.000 1.246) 2.862 8.871 ( 2.052 0.000 -5.092) 5.490 9.247 ( -0.801 0.000 5.411) 5.470 9.320 ( -1.205 0.000 -6.638) 6.746 9.923 ( 1.244 0.000 -1.326) 1.819 10.175 ( -0.337 0.000 -1.069) 1.121 10.625 ( 2.613 0.000 3.967) 4.750 10.732 ( 0.274 0.000 0.855) 0.898 ======================= Grid point 134 (61/91) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -6.428 0.000 17.917) 19.035 0.773 ( -8.813 0.000 18.000) 20.042 1.006 ( -0.305 0.000 -3.467) 3.480 1.354 ( -2.128 0.000 -14.738) 14.891 1.374 ( 2.804 0.000 -9.928) 10.316 1.573 ( -3.066 0.000 -3.529) 4.675 1.729 ( -15.906 0.000 21.348) 26.622 1.845 ( 1.786 0.000 -1.456) 2.305 1.945 ( 0.465 0.000 4.570) 4.594 2.018 ( 9.716 0.000 6.624) 11.759 2.053 ( -1.515 0.000 -0.662) 1.653 2.068 ( -0.504 0.000 -0.259) 0.566 2.107 ( 14.662 0.000 5.253) 15.575 2.213 ( 0.137 0.000 -0.316) 0.344 2.239 ( 2.324 0.000 -0.923) 2.500 2.752 ( -5.824 0.000 -6.281) 8.565 2.813 ( -9.347 0.000 -23.075) 24.896 2.959 ( -1.877 0.000 -7.565) 7.794 3.198 ( 12.507 0.000 -4.529) 13.302 3.686 ( -5.442 0.000 8.017) 9.690 3.816 ( 9.173 0.000 13.297) 16.154 3.951 ( -3.066 0.000 4.343) 5.316 4.149 ( 0.319 0.000 -2.183) 2.207 4.502 ( -3.413 0.000 -4.497) 5.645 5.294 ( 2.302 0.000 2.150) 3.150 5.509 ( 0.920 0.000 -0.231) 0.949 5.510 ( -4.873 0.000 -5.392) 7.268 5.772 ( 0.032 0.000 1.826) 1.826 6.004 ( 8.614 0.000 6.240) 10.636 6.061 ( -3.991 0.000 -4.905) 6.323 6.081 ( -1.159 0.000 -2.246) 2.528 6.250 ( 1.355 0.000 4.515) 4.714 6.428 ( 4.084 0.000 0.345) 4.098 6.443 ( 2.579 0.000 -5.274) 5.871 6.560 ( -4.433 0.000 5.296) 6.907 6.689 ( 4.568 0.000 6.115) 7.632 6.692 ( -2.604 0.000 -3.280) 4.188 6.729 ( -1.443 0.000 0.715) 1.610 6.850 ( 4.946 0.000 -4.159) 6.462 6.890 ( 1.362 0.000 1.775) 2.237 7.026 ( -0.526 0.000 -0.515) 0.736 7.148 ( 2.131 0.000 6.653) 6.986 7.285 ( -0.841 0.000 -2.644) 2.775 7.335 ( 0.406 0.000 -0.304) 0.507 7.463 ( -0.275 0.000 0.044) 0.279 7.529 ( -0.123 0.000 0.035) 0.127 7.599 ( 1.559 0.000 -1.963) 2.507 7.708 ( -6.510 0.000 -5.181) 8.320 7.946 ( 6.198 0.000 0.466) 6.216 8.210 ( -8.641 0.000 6.503) 10.815 8.456 ( 1.199 0.000 0.744) 1.411 8.612 ( 1.843 0.000 -0.536) 1.919 8.680 ( -3.229 0.000 1.164) 3.433 8.902 ( 4.135 0.000 -2.507) 4.836 9.211 ( -5.156 0.000 -7.593) 9.178 9.260 ( -0.976 0.000 4.152) 4.265 9.900 ( -2.481 0.000 -0.010) 2.481 10.187 ( 1.399 0.000 0.464) 1.474 10.714 ( 3.309 0.000 -0.480) 3.344 10.792 ( 4.997 0.000 2.359) 5.526 ======================= Grid point 135 (62/91) ======================= q-point: ( 0.00 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 5.464 5.643 17.165) 18.877 0.980 ( -1.494 12.395 16.114) 20.384 1.206 ( -1.008 14.336 -7.704) 16.306 1.213 ( -2.624 5.988 -12.344) 13.968 1.426 ( -2.180 9.161 -5.007) 10.665 1.551 ( -1.240 4.480 -8.512) 9.698 1.851 ( -2.258 11.037 22.619) 25.269 1.945 ( 3.688 6.636 3.539) 8.377 2.061 ( -1.379 8.143 3.910) 9.137 2.096 ( -0.383 4.745 3.112) 5.687 2.181 ( 0.603 9.863 0.637) 9.902 2.223 ( 0.039 9.526 -3.052) 10.003 2.255 ( -0.252 3.474 -0.558) 3.528 2.318 ( 2.738 4.315 1.439) 5.309 2.441 ( 11.573 5.052 -0.585) 12.642 2.567 ( -9.089 1.660 -6.775) 11.457 2.656 ( 1.343 5.823 -21.655) 22.464 2.798 ( -3.146 2.733 -3.700) 5.573 3.484 ( 1.425 -2.195 0.688) 2.706 3.510 ( -1.739 0.298 1.867) 2.569 3.861 ( -0.509 -5.420 6.326) 8.346 4.003 ( 1.993 -4.218 2.882) 5.484 4.139 ( 3.042 -2.451 3.806) 5.454 4.365 ( -3.731 -2.728 -5.191) 6.950 5.320 ( 0.829 -1.616 2.119) 2.791 5.387 ( -1.645 -3.948 -1.713) 4.608 5.696 ( 0.229 14.245 -0.143) 14.248 5.808 ( 1.661 0.337 3.390) 3.790 5.927 ( -1.585 -1.699 -3.784) 4.440 6.066 ( 0.540 2.824 -1.366) 3.183 6.279 ( 0.007 10.526 0.528) 10.539 6.360 ( -5.651 -0.234 1.877) 5.960 6.371 ( 0.557 5.002 1.736) 5.324 6.559 ( 3.866 0.706 -2.659) 4.745 6.570 ( 4.360 2.165 0.840) 4.940 6.616 ( -4.539 2.065 -3.105) 5.874 6.764 ( 0.316 3.431 1.109) 3.620 6.838 ( 2.080 0.816 -0.682) 2.337 6.873 ( 0.736 -0.394 -1.336) 1.576 6.958 ( 0.375 3.595 -0.033) 3.615 7.072 ( 1.229 -3.724 2.211) 4.502 7.116 ( -1.036 3.092 -0.513) 3.301 7.320 ( 1.467 2.268 1.214) 2.961 7.362 ( 0.039 2.581 -0.407) 2.613 7.494 ( -0.329 3.363 1.555) 3.719 7.556 ( 0.067 3.081 0.165) 3.086 7.607 ( -2.326 2.509 -4.950) 6.017 7.663 ( -1.257 5.538 0.180) 5.682 8.035 ( -2.235 -2.160 0.944) 3.248 8.131 ( 1.252 2.356 3.166) 4.140 8.535 ( 1.304 3.032 -2.083) 3.903 8.618 ( 0.439 -2.990 0.506) 3.064 8.667 ( 0.917 4.114 -2.262) 4.783 8.965 ( 3.700 -1.990 0.988) 4.316 9.056 ( -3.840 -0.155 -6.280) 7.362 9.242 ( 1.138 -3.678 1.876) 4.283 9.825 ( -2.800 -3.281 4.722) 6.395 10.170 ( 1.305 -4.362 -1.005) 4.663 10.660 ( -0.809 -7.051 0.446) 7.112 10.741 ( 0.376 -9.878 1.086) 9.945 ======================= Grid point 136 (63/91) ======================= q-point: ( 0.20 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 0.661 7.909 -3.712) 8.761 1.101 ( 2.974 6.471 4.887) 8.638 1.148 ( 8.200 8.671 11.017) 16.242 1.200 ( 4.350 13.563 -8.831) 16.760 1.371 ( -3.192 12.331 2.411) 12.964 1.473 ( -2.655 5.642 -1.347) 6.379 1.894 ( -0.639 4.790 1.076) 4.950 1.998 ( -3.551 1.030 -4.363) 5.719 2.076 ( -2.664 4.835 -2.329) 5.991 2.125 ( -0.737 8.268 6.656) 10.640 2.164 ( 0.191 10.725 3.590) 11.312 2.216 ( -1.892 6.069 0.127) 6.358 2.278 ( -3.699 5.998 -0.243) 7.051 2.327 ( 7.693 10.301 10.602) 16.665 2.370 ( -4.418 5.617 -2.639) 7.618 2.490 ( 7.496 7.556 -23.587) 25.877 2.736 ( 10.899 0.108 3.661) 11.498 2.863 ( -0.322 2.516 2.193) 3.353 3.183 ( -13.496 2.356 -0.544) 13.711 3.714 ( 6.872 -3.787 0.842) 7.891 3.887 ( -0.011 -5.253 4.175) 6.710 4.009 ( -1.459 -4.225 -4.635) 6.439 4.119 ( -5.094 -2.042 -4.861) 7.331 4.359 ( 3.347 -2.490 6.292) 7.549 5.311 ( -2.509 -1.952 -1.664) 3.588 5.375 ( 1.142 -3.735 3.443) 5.207 5.684 ( -0.988 13.637 -0.552) 13.684 5.837 ( -0.101 1.316 -3.240) 3.498 5.900 ( -0.062 -2.599 2.603) 3.679 6.074 ( 1.529 3.385 -1.167) 3.893 6.232 ( -6.066 8.305 0.465) 10.295 6.288 ( -2.049 2.321 5.900) 6.663 6.411 ( 1.944 6.283 0.141) 6.578 6.491 ( -5.470 1.824 -2.838) 6.427 6.625 ( 2.955 -0.490 -1.043) 3.172 6.668 ( 5.126 1.548 -0.234) 5.360 6.770 ( -1.310 1.201 -0.831) 1.962 6.800 ( -1.574 0.744 -0.330) 1.772 6.844 ( -1.582 3.118 -3.876) 5.220 6.940 ( -1.995 2.461 -0.265) 3.179 7.095 ( -0.251 5.356 -0.937) 5.443 7.155 ( 4.472 -4.873 0.724) 6.653 7.297 ( -2.746 2.594 -1.961) 4.256 7.344 ( -2.237 0.938 -1.192) 2.703 7.482 ( -1.510 2.516 1.967) 3.533 7.557 ( -0.018 2.865 0.014) 2.866 7.621 ( 0.986 5.107 0.630) 5.239 7.680 ( 5.002 5.104 3.293) 7.869 7.932 ( -5.450 -0.791 1.231) 5.643 8.263 ( 7.290 0.608 1.831) 7.541 8.503 ( -1.890 1.303 -2.329) 3.270 8.595 ( -4.170 1.535 2.391) 5.046 8.705 ( 3.505 -0.205 -3.179) 4.736 8.923 ( -2.333 -0.882 -5.051) 5.633 9.091 ( 4.387 -2.064 2.185) 5.318 9.284 ( 2.948 -3.756 -1.823) 5.110 9.821 ( -1.025 -2.713 5.455) 6.178 10.176 ( 0.472 -4.534 -2.459) 5.179 10.617 ( -4.013 -6.160 1.527) 7.508 10.723 ( -2.224 -8.577 0.090) 8.861 ======================= Grid point 137 (64/91) ======================= q-point: ( 0.40 0.08 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -4.050 5.884 1.001) 7.213 1.164 ( 0.235 15.251 -0.822) 15.275 1.264 ( 3.528 11.733 -6.110) 13.691 1.337 ( 0.184 10.401 8.144) 13.212 1.355 ( 9.491 9.106 -4.915) 14.041 1.515 ( 6.427 4.185 9.402) 12.134 1.839 ( -6.227 0.778 -2.006) 6.588 1.905 ( -0.172 7.048 -1.319) 7.173 1.953 ( -5.579 0.509 -6.756) 8.777 2.097 ( -2.641 11.255 0.725) 11.584 2.163 ( -1.103 8.307 0.082) 8.380 2.203 ( 1.212 9.245 -1.165) 9.396 2.231 ( -1.679 6.475 -5.096) 8.409 2.267 ( -0.821 5.408 -0.206) 5.474 2.513 ( -5.337 5.312 -6.931) 10.234 2.589 ( -4.897 4.967 -2.063) 7.274 2.750 ( 11.134 6.420 20.736) 24.396 2.944 ( 7.753 0.039 0.873) 7.802 3.158 ( 5.574 1.569 -0.115) 5.792 3.775 ( -0.804 -5.362 2.201) 5.852 3.779 ( -12.291 -0.659 -16.298) 20.424 3.921 ( 1.220 -4.041 1.955) 4.652 4.085 ( 0.258 -3.266 1.591) 3.642 4.470 ( 3.349 -3.606 5.103) 7.089 5.253 ( -1.963 -1.334 -1.200) 2.659 5.454 ( 3.704 -6.507 5.092) 9.055 5.665 ( -0.318 12.104 -1.119) 12.160 5.782 ( -2.773 1.736 -4.014) 5.179 5.910 ( -0.526 -0.890 0.945) 1.400 6.110 ( 1.575 4.468 -1.001) 4.842 6.160 ( -0.672 7.903 3.841) 8.813 6.315 ( 0.674 2.198 5.825) 6.262 6.356 ( -4.273 3.243 -6.099) 8.123 6.442 ( -0.505 3.854 0.477) 3.916 6.622 ( -2.529 -2.938 0.058) 3.877 6.733 ( 1.485 4.090 0.625) 4.396 6.763 ( 3.068 -0.372 -2.725) 4.120 6.793 ( -0.758 6.179 -2.224) 6.611 6.820 ( 1.834 3.440 -0.655) 3.953 6.891 ( -2.581 1.562 -0.421) 3.046 7.074 ( -1.790 3.458 -0.534) 3.930 7.195 ( -0.583 2.857 -3.013) 4.193 7.254 ( 0.537 -1.126 -0.176) 1.260 7.284 ( -2.160 -1.095 -1.139) 2.676 7.480 ( -0.281 2.092 1.973) 2.889 7.556 ( -0.113 2.716 -0.033) 2.718 7.646 ( 1.549 6.575 1.672) 6.959 7.812 ( 4.072 3.821 3.121) 6.397 7.875 ( -1.032 0.450 1.276) 1.702 8.390 ( 3.331 -0.010 0.566) 3.379 8.451 ( -0.730 -0.180 -1.941) 2.082 8.526 ( -4.405 3.259 4.133) 6.863 8.725 ( 0.012 -2.118 -0.591) 2.199 8.873 ( 0.522 -0.985 -6.115) 6.216 9.172 ( 1.711 -3.239 4.531) 5.826 9.311 ( 1.874 -3.478 -4.521) 6.004 9.855 ( 1.359 -2.464 3.402) 4.415 10.157 ( -0.502 -4.471 -2.941) 5.375 10.555 ( -3.308 -5.480 2.656) 6.931 10.679 ( -1.823 -7.073 -0.321) 7.311 ======================= Grid point 138 (65/91) ======================= q-point: (-0.40 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -11.295 6.340 9.406) 16.008 1.090 ( -9.176 16.272 6.982) 19.943 1.247 ( 0.102 16.928 -3.235) 17.235 1.399 ( 5.067 5.445 -8.086) 10.987 1.498 ( 7.511 10.235 -9.691) 15.971 1.700 ( -0.312 0.482 -3.409) 3.457 1.797 ( 7.840 1.841 7.151) 10.770 1.847 ( 1.427 0.901 -4.678) 4.973 1.910 ( 0.638 5.925 -1.368) 6.114 2.055 ( -15.538 7.065 14.010) 22.082 2.085 ( -0.289 14.291 2.647) 14.537 2.188 ( -0.145 6.536 -2.449) 6.981 2.213 ( 0.596 9.034 -1.076) 9.117 2.261 ( -6.582 10.894 4.789) 13.599 2.272 ( 0.647 5.600 0.252) 5.643 2.713 ( 11.035 2.142 -4.633) 12.159 2.966 ( 1.298 1.467 -6.627) 6.910 3.019 ( 3.391 0.037 1.388) 3.664 3.267 ( -2.743 1.185 -8.155) 8.685 3.546 ( 4.794 2.790 0.826) 5.608 3.718 ( -7.302 -4.984 7.147) 11.368 3.948 ( -0.176 -4.004 0.310) 4.020 4.100 ( 0.660 -3.923 0.103) 3.979 4.517 ( -0.515 -4.094 0.306) 4.137 5.238 ( 0.700 -0.970 0.374) 1.253 5.517 ( -1.255 -10.055 0.298) 10.137 5.655 ( 0.419 9.574 -1.126) 9.649 5.728 ( -0.052 5.639 0.890) 5.709 5.926 ( 2.744 1.173 -0.908) 3.119 6.107 ( -0.550 5.686 -0.532) 5.737 6.237 ( 3.181 5.372 3.164) 7.000 6.253 ( -1.447 5.282 -3.535) 6.518 6.384 ( 2.897 0.924 2.847) 4.166 6.437 ( 1.628 2.700 -1.762) 3.612 6.581 ( -2.848 -2.615 3.238) 5.043 6.732 ( -1.574 9.401 -0.361) 9.539 6.764 ( -0.027 -0.086 -2.809) 2.810 6.803 ( -0.106 4.871 0.442) 4.892 6.820 ( -0.204 0.700 -3.323) 3.402 6.879 ( 1.606 2.791 0.725) 3.301 7.047 ( -0.394 1.441 1.934) 2.444 7.155 ( -2.279 4.740 0.926) 5.341 7.270 ( 1.148 -2.144 -1.463) 2.838 7.282 ( 2.632 -0.005 -0.935) 2.793 7.487 ( -0.176 2.160 1.128) 2.444 7.554 ( -0.011 2.596 0.066) 2.597 7.677 ( 0.912 5.778 -1.062) 5.945 7.858 ( 1.930 1.030 -1.212) 2.501 7.881 ( -1.587 4.415 1.144) 4.829 8.336 ( -6.840 0.706 4.982) 8.491 8.449 ( -0.153 -0.184 -1.665) 1.682 8.566 ( 5.343 2.643 0.784) 6.013 8.703 ( -2.566 -2.456 1.455) 3.839 8.859 ( 1.789 -1.192 -4.865) 5.319 9.210 ( -0.786 -3.809 5.039) 6.365 9.289 ( -0.720 -2.633 -6.407) 6.964 9.890 ( 0.364 -3.156 -0.298) 3.190 10.133 ( -0.161 -4.078 -0.922) 4.184 10.555 ( 1.447 -6.354 3.815) 7.552 10.665 ( 0.253 -6.388 0.580) 6.420 ======================= Grid point 139 (66/91) ======================= q-point: (-0.20 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -7.107 6.843 15.811) 18.636 0.978 ( -8.041 14.245 12.640) 20.672 1.229 ( -0.046 18.862 -2.835) 19.074 1.371 ( -1.653 2.810 -13.564) 13.950 1.493 ( 0.729 9.520 -9.463) 13.443 1.618 ( -0.535 4.573 -9.258) 10.340 1.825 ( -10.555 9.542 19.254) 23.941 1.911 ( 0.797 5.062 -1.187) 5.260 1.992 ( 4.048 4.359 7.646) 9.687 2.029 ( 6.055 2.627 7.505) 9.995 2.169 ( -0.429 8.961 1.474) 9.091 2.193 ( 7.926 10.130 1.562) 12.957 2.210 ( 1.721 10.255 -1.398) 10.492 2.255 ( 1.346 5.271 0.513) 5.464 2.282 ( 0.783 5.843 0.351) 5.906 2.747 ( -6.134 -0.625 -1.691) 6.393 2.856 ( -7.114 4.502 -23.719) 25.169 2.970 ( -2.663 1.305 -6.882) 7.494 3.220 ( 11.377 2.514 -4.600) 12.526 3.647 ( -4.997 -3.787 7.736) 9.958 3.801 ( 7.842 -1.363 11.713) 14.161 3.909 ( -2.602 -3.813 3.292) 5.670 4.107 ( 0.460 -3.901 -1.214) 4.112 4.465 ( -3.222 -3.569 -3.907) 6.196 5.276 ( 2.202 -1.346 1.694) 3.087 5.443 ( -3.183 -5.414 -3.049) 6.982 5.677 ( 1.512 11.843 0.230) 11.941 5.762 ( 1.016 1.753 3.578) 4.112 5.965 ( 1.140 -2.026 -3.201) 3.956 6.078 ( -1.204 3.660 -1.513) 4.140 6.243 ( 3.027 10.584 -1.251) 11.079 6.332 ( 2.263 4.977 4.147) 6.862 6.414 ( 1.447 -1.622 -4.037) 4.585 6.498 ( 3.554 4.876 -1.139) 6.140 6.547 ( -3.061 -0.878 4.026) 5.133 6.710 ( -2.564 2.518 -1.955) 4.091 6.728 ( 0.665 2.980 2.499) 3.946 6.796 ( 0.298 5.924 0.330) 5.941 6.832 ( 3.361 -0.688 -2.754) 4.399 6.924 ( 2.312 3.293 0.832) 4.108 7.070 ( -0.055 2.770 1.737) 3.270 7.129 ( -1.664 -2.815 3.315) 4.657 7.281 ( 1.398 2.088 -0.920) 2.676 7.342 ( 3.063 0.887 -0.723) 3.270 7.489 ( -0.138 2.590 0.867) 2.734 7.555 ( -0.001 2.703 0.158) 2.707 7.672 ( 0.394 5.460 -3.306) 6.395 7.755 ( -7.489 5.063 -4.024) 9.895 7.945 ( 5.738 -0.413 -0.234) 5.757 8.227 ( -8.576 1.765 5.648) 10.420 8.474 ( 3.719 1.335 -0.838) 4.039 8.645 ( 0.629 -1.515 -1.002) 1.922 8.658 ( -1.221 2.456 1.470) 3.112 8.886 ( 3.725 -1.553 -1.847) 4.438 9.192 ( -3.874 -2.517 -7.337) 8.670 9.224 ( -1.395 -2.701 3.809) 4.874 9.862 ( -2.802 -3.559 1.044) 4.648 10.145 ( 1.355 -4.063 0.108) 4.285 10.632 ( 3.485 -7.746 0.921) 8.543 10.696 ( 1.955 -7.981 2.806) 8.683 ======================= Grid point 140 (67/91) ======================= q-point: ( 0.00 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 3.749 11.433 11.071) 16.350 1.236 ( -1.725 12.756 15.704) 20.305 1.312 ( -4.230 7.868 -11.104) 14.251 1.537 ( -1.304 12.011 -10.797) 16.203 1.628 ( 1.476 8.761 -6.053) 10.750 1.761 ( -0.874 16.536 -2.873) 16.807 2.052 ( 1.734 7.321 -0.292) 7.529 2.061 ( 0.310 5.761 -0.535) 5.794 2.235 ( 3.245 7.499 1.514) 8.310 2.249 ( -1.113 3.218 0.646) 3.466 2.321 ( 4.088 7.121 7.220) 10.934 2.395 ( -2.707 6.689 -1.478) 7.366 2.427 ( -2.478 15.807 11.146) 19.500 2.539 ( 3.482 14.722 2.099) 15.273 2.612 ( -2.757 8.327 -0.064) 8.772 2.661 ( 1.190 12.168 -0.879) 12.257 2.856 ( -0.691 13.903 -19.154) 23.678 2.919 ( -0.685 9.993 -1.904) 10.195 3.438 ( -1.103 -2.087 0.352) 2.387 3.521 ( 1.066 0.139 2.244) 2.488 3.730 ( -1.050 -6.298 2.656) 6.915 3.890 ( 1.325 -6.609 0.719) 6.779 4.077 ( 2.577 -3.211 3.966) 5.717 4.291 ( -2.878 -4.378 -2.437) 5.779 5.284 ( 0.823 -2.144 1.299) 2.638 5.316 ( -1.275 -2.041 -1.356) 2.763 5.803 ( 2.144 0.182 2.831) 3.556 5.883 ( -1.689 0.551 -2.776) 3.296 5.986 ( 0.161 7.595 -0.379) 7.606 6.163 ( -0.130 5.414 -0.119) 5.417 6.377 ( -4.348 3.853 2.927) 6.505 6.463 ( 1.480 5.078 3.115) 6.138 6.473 ( 1.263 5.168 -0.011) 5.320 6.554 ( 3.055 1.735 -4.233) 5.501 6.631 ( 0.306 2.584 -2.556) 3.648 6.674 ( -2.323 2.368 0.755) 3.402 6.843 ( 1.196 3.813 1.940) 4.442 6.850 ( -1.107 1.005 -1.011) 1.805 6.917 ( 1.685 3.424 -2.683) 4.664 6.961 ( -0.855 -3.833 0.255) 3.935 7.076 ( 0.264 7.778 -0.550) 7.802 7.165 ( 1.656 1.048 0.938) 2.173 7.392 ( -0.111 4.207 0.843) 4.292 7.426 ( 1.250 3.317 -1.101) 3.712 7.567 ( -0.046 2.662 3.284) 4.228 7.658 ( -0.162 6.811 0.118) 6.814 7.679 ( -2.691 5.053 -4.209) 7.106 7.829 ( -1.085 9.865 0.296) 9.929 7.975 ( -0.972 -3.009 0.675) 3.233 8.220 ( -0.773 6.470 2.656) 7.036 8.523 ( -1.855 -5.677 0.956) 6.048 8.588 ( 5.031 1.091 -4.818) 7.051 8.744 ( 0.351 2.326 -3.610) 4.309 8.929 ( 2.490 -0.793 2.766) 3.805 9.033 ( -2.296 -3.125 -5.116) 6.420 9.165 ( 0.257 -2.274 1.152) 2.562 9.737 ( -2.295 -5.204 4.929) 7.526 10.051 ( 1.132 -7.053 -1.532) 7.306 10.479 ( -0.013 -10.148 1.521) 10.261 10.520 ( -0.291 -11.287 1.138) 11.348 ======================= Grid point 141 (68/91) ======================= q-point: ( 0.20 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 1.205 7.202 -5.457) 9.116 1.293 ( 5.486 10.797 8.585) 14.845 1.389 ( 7.335 12.247 11.329) 18.224 1.474 ( 1.098 11.931 -8.665) 14.787 1.623 ( 2.345 9.073 -4.357) 10.335 1.723 ( -2.805 18.756 0.700) 18.977 1.982 ( -5.193 3.857 -2.196) 6.831 2.070 ( -1.140 4.864 -2.308) 5.503 2.154 ( -5.591 4.348 -3.217) 7.779 2.293 ( -1.293 5.060 -5.113) 7.309 2.328 ( 1.614 5.468 1.053) 5.797 2.418 ( 1.521 9.746 2.787) 10.250 2.456 ( -0.713 15.404 7.072) 16.965 2.517 ( -5.279 11.751 1.249) 12.943 2.681 ( 5.259 19.001 8.469) 21.457 2.738 ( 1.426 16.118 -14.794) 21.924 2.755 ( 8.342 3.172 1.542) 9.057 2.974 ( 1.724 9.232 0.275) 9.395 3.264 ( -9.482 5.665 0.099) 11.046 3.604 ( 2.384 -7.280 0.443) 7.673 3.767 ( 2.363 -5.506 2.516) 6.498 3.893 ( -0.847 -6.912 -2.932) 7.556 4.070 ( -3.474 -2.384 -3.697) 5.605 4.289 ( 2.027 -4.274 5.011) 6.892 5.270 ( -2.084 -2.158 -1.223) 3.240 5.306 ( 0.187 -2.272 2.150) 3.134 5.814 ( -1.335 0.545 -3.756) 4.023 5.862 ( 0.286 -0.174 2.581) 2.603 5.975 ( -0.839 7.474 -0.448) 7.534 6.179 ( 1.629 5.594 0.662) 5.864 6.317 ( -3.742 5.651 3.870) 7.805 6.474 ( -0.197 8.951 -0.801) 8.989 6.505 ( -0.541 3.077 3.618) 4.780 6.528 ( -4.037 3.595 -4.141) 6.810 6.616 ( 3.601 0.742 -5.979) 7.019 6.691 ( 0.993 0.198 2.319) 2.530 6.767 ( -3.655 -0.312 0.421) 3.692 6.872 ( 0.979 3.664 0.524) 3.829 6.935 ( 2.259 4.576 -2.584) 5.720 7.000 ( -2.401 1.817 2.367) 3.830 7.081 ( 5.506 1.540 -2.286) 6.157 7.191 ( 0.149 3.536 -1.426) 3.816 7.358 ( -3.442 2.725 0.656) 4.439 7.405 ( -1.623 5.034 -2.578) 5.884 7.555 ( -2.110 4.201 2.429) 5.292 7.645 ( -0.993 5.690 0.050) 5.776 7.703 ( 3.975 4.069 1.029) 5.781 7.850 ( 2.398 9.634 3.157) 10.418 7.916 ( -4.170 -0.025 1.223) 4.346 8.296 ( 5.539 3.050 1.976) 6.625 8.479 ( -2.628 -4.222 -1.243) 5.126 8.620 ( 0.456 0.967 -1.771) 2.069 8.727 ( 0.016 1.660 -3.321) 3.712 8.909 ( -2.941 0.035 -3.535) 4.598 9.025 ( 1.927 -4.935 2.065) 5.686 9.202 ( 2.764 -3.224 -0.900) 4.341 9.747 ( -0.190 -4.522 5.091) 6.812 10.053 ( 0.345 -7.303 -2.383) 7.689 10.460 ( -2.447 -8.854 0.545) 9.202 10.512 ( -1.141 -11.464 0.912) 11.557 ======================= Grid point 142 (69/91) ======================= q-point: ( 0.40 0.15 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -0.668 8.737 -2.460) 9.101 1.453 ( 4.541 10.063 -9.250) 14.402 1.486 ( 5.510 10.994 9.109) 15.304 1.577 ( 6.485 11.769 3.731) 13.946 1.650 ( -4.347 16.617 0.586) 17.186 1.683 ( 4.402 12.103 1.005) 12.918 1.876 ( -4.230 2.631 -0.574) 5.014 1.975 ( -4.651 1.886 -6.336) 8.083 2.062 ( -1.621 7.499 -2.750) 8.151 2.244 ( 0.049 4.280 -4.943) 6.539 2.363 ( 0.541 6.545 0.792) 6.615 2.427 ( -2.961 14.614 4.870) 15.686 2.438 ( -2.271 13.316 0.217) 13.510 2.495 ( 0.603 16.900 0.916) 16.935 2.713 ( 4.400 12.073 -9.517) 15.990 2.724 ( -8.549 9.571 4.165) 13.492 2.925 ( 3.715 9.127 8.661) 13.120 2.982 ( 5.486 5.861 0.778) 8.066 3.230 ( 4.138 6.139 0.636) 7.431 3.625 ( -0.745 -8.958 1.400) 9.097 3.765 ( -6.944 -0.663 -8.985) 11.375 3.819 ( 0.975 -5.768 0.475) 5.870 4.010 ( -0.829 -3.191 -0.192) 3.302 4.368 ( 2.212 -6.318 4.180) 7.892 5.231 ( -1.191 -0.770 -0.672) 1.569 5.331 ( 0.870 -4.851 2.342) 5.457 5.765 ( -1.375 2.315 -2.899) 3.957 5.876 ( 0.274 -1.609 0.685) 1.770 5.957 ( -0.556 7.807 -0.555) 7.847 6.227 ( 2.162 5.973 2.386) 6.785 6.300 ( -0.722 6.676 4.141) 7.889 6.409 ( -4.665 2.191 -2.434) 5.699 6.471 ( 0.320 9.880 -2.561) 10.212 6.497 ( -1.076 4.045 0.014) 4.186 6.600 ( -1.554 1.093 -2.166) 2.881 6.718 ( 1.911 -1.779 -1.882) 3.218 6.788 ( 3.186 0.625 1.849) 3.737 6.871 ( -1.526 0.826 -0.639) 1.849 6.958 ( -0.378 6.251 1.805) 6.517 6.974 ( 1.465 6.502 -0.519) 6.685 7.124 ( -2.829 1.932 -1.163) 3.617 7.202 ( 3.703 2.323 -1.952) 4.787 7.307 ( -0.882 2.721 0.105) 2.862 7.351 ( -2.920 7.100 -1.237) 7.776 7.546 ( -0.740 4.276 2.723) 5.123 7.627 ( -0.638 4.182 -0.264) 4.238 7.762 ( 1.913 4.869 -0.007) 5.232 7.869 ( -1.047 1.497 0.117) 1.831 7.950 ( 3.796 7.089 5.759) 9.891 8.390 ( -0.250 -0.076 0.249) 0.360 8.429 ( 1.923 -2.037 -2.260) 3.599 8.594 ( -2.482 2.006 1.463) 3.511 8.702 ( -1.039 1.241 -0.154) 1.626 8.849 ( -0.200 -1.114 -5.734) 5.845 9.072 ( 0.887 -6.608 3.378) 7.474 9.236 ( 2.006 -3.255 -2.971) 4.842 9.786 ( 0.887 -4.310 3.805) 5.817 10.036 ( -0.352 -7.185 -2.383) 7.578 10.413 ( -2.535 -8.135 0.953) 8.574 10.497 ( -0.723 -10.349 0.376) 10.381 ======================= Grid point 143 (70/91) ======================= q-point: (-0.40 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -6.275 11.624 3.797) 13.745 1.401 ( -7.957 12.587 0.122) 14.891 1.525 ( -0.172 10.602 -4.004) 11.334 1.642 ( 2.292 15.889 -0.090) 16.054 1.730 ( 1.540 3.254 -2.864) 4.600 1.761 ( 6.888 13.283 -6.688) 16.389 1.859 ( 3.753 3.509 3.804) 6.393 1.892 ( 1.277 4.658 -2.315) 5.356 2.049 ( 1.404 7.280 -1.319) 7.531 2.222 ( 0.165 3.549 -2.745) 4.489 2.328 ( -7.279 12.469 8.214) 16.611 2.391 ( -2.607 14.540 6.371) 16.088 2.431 ( -0.003 11.780 0.682) 11.800 2.512 ( 1.860 19.100 -1.303) 19.234 2.575 ( -5.274 17.531 0.088) 18.308 2.765 ( 1.607 2.526 0.852) 3.113 3.029 ( 2.107 1.488 -0.971) 2.756 3.052 ( 5.515 7.563 -6.204) 11.230 3.310 ( -0.165 3.094 -3.597) 4.747 3.581 ( -5.215 -7.702 5.333) 10.722 3.642 ( 2.259 6.630 -0.237) 7.009 3.838 ( 0.158 -6.749 -0.312) 6.758 4.005 ( -0.142 -4.617 0.440) 4.640 4.402 ( -0.445 -7.091 0.675) 7.137 5.223 ( 0.625 -0.341 0.081) 0.716 5.353 ( 0.176 -5.870 0.362) 5.884 5.733 ( -0.600 2.906 -0.069) 2.968 5.892 ( 1.518 -1.025 -0.858) 2.022 5.956 ( 0.869 7.583 -0.498) 7.649 6.247 ( -2.680 6.448 1.124) 7.073 6.343 ( 2.655 4.897 3.264) 6.456 6.358 ( 1.107 3.752 0.504) 3.944 6.438 ( -0.736 4.156 -2.614) 4.965 6.527 ( 3.903 7.300 -1.445) 8.403 6.569 ( -0.899 2.201 0.135) 2.381 6.732 ( 1.005 -1.775 -2.288) 3.065 6.821 ( -2.250 -0.478 -1.769) 2.902 6.846 ( 0.999 2.771 1.689) 3.395 6.967 ( -0.762 7.222 0.511) 7.281 6.979 ( -0.452 5.863 -0.820) 5.937 7.089 ( 0.535 2.869 2.347) 3.745 7.185 ( -4.378 1.771 -0.452) 4.744 7.315 ( 1.150 3.016 -0.482) 3.264 7.343 ( 2.857 6.792 -0.570) 7.390 7.550 ( -0.690 3.861 2.137) 4.467 7.626 ( 0.778 4.416 -0.130) 4.485 7.783 ( 0.880 4.636 -1.791) 5.047 7.877 ( 1.900 1.391 -0.616) 2.434 8.002 ( -2.040 6.609 1.547) 7.087 8.347 ( -2.725 0.324 3.155) 4.181 8.451 ( 0.863 0.333 -4.298) 4.396 8.577 ( -0.894 -2.855 2.343) 3.800 8.712 ( 2.118 4.925 1.298) 5.516 8.823 ( 0.949 -2.354 -4.555) 5.214 9.094 ( -0.531 -7.266 2.509) 7.705 9.235 ( 0.201 -2.351 -4.015) 4.657 9.804 ( -1.385 -5.108 1.918) 5.629 10.022 ( 0.389 -6.646 -1.153) 6.757 10.399 ( 0.103 -8.513 2.732) 8.942 10.496 ( 0.426 -9.777 0.213) 9.788 ======================= Grid point 144 (71/91) ======================= q-point: (-0.20 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -4.210 14.193 8.044) 16.849 1.255 ( -9.111 12.822 10.844) 19.105 1.464 ( -3.006 6.583 -10.154) 12.469 1.627 ( 0.700 16.921 -7.761) 18.629 1.662 ( -2.812 6.772 -6.937) 10.094 1.792 ( 1.275 12.384 -6.617) 14.099 1.952 ( 5.807 3.432 1.631) 6.940 2.028 ( 5.318 4.727 2.614) 7.580 2.116 ( 6.168 7.386 0.895) 9.664 2.221 ( 0.829 6.554 2.998) 7.254 2.275 ( -4.203 11.308 8.968) 15.032 2.393 ( -2.327 13.689 8.141) 16.096 2.438 ( -0.365 10.905 1.305) 10.989 2.517 ( -0.920 16.582 -0.183) 16.608 2.563 ( 4.714 18.580 -3.099) 19.417 2.735 ( -4.999 0.219 1.178) 5.141 2.982 ( -2.828 6.473 -12.578) 14.426 3.042 ( -3.511 7.815 -6.708) 10.881 3.307 ( 7.739 5.675 -4.242) 10.492 3.539 ( -2.560 -6.669 6.638) 9.752 3.768 ( 0.314 -1.890 4.101) 4.527 3.820 ( 1.606 -4.327 2.919) 5.461 4.015 ( 1.084 -4.276 1.366) 4.618 4.365 ( -2.637 -6.143 -2.304) 7.071 5.250 ( 1.744 -1.020 0.747) 2.154 5.343 ( -0.701 -3.812 -1.319) 4.095 5.749 ( 1.294 1.704 2.531) 3.314 5.910 ( 0.762 -0.105 -1.979) 2.123 5.975 ( 1.187 7.013 -0.537) 7.133 6.189 ( -2.488 5.887 -0.498) 6.411 6.406 ( 3.033 3.020 -0.467) 4.306 6.417 ( -1.341 4.894 5.022) 7.140 6.428 ( 2.810 4.441 0.251) 5.261 6.545 ( -0.599 1.761 0.360) 1.895 6.608 ( 4.393 5.741 -4.929) 8.749 6.718 ( -1.546 -0.752 0.097) 1.722 6.801 ( 1.871 1.198 -2.376) 3.253 6.846 ( -0.931 3.092 1.800) 3.697 6.922 ( -1.465 4.994 -0.961) 5.293 7.019 ( 2.924 5.491 0.607) 6.251 7.067 ( -5.571 -0.510 -1.436) 5.775 7.138 ( 0.493 4.169 3.777) 5.647 7.373 ( 2.903 2.746 0.481) 4.024 7.374 ( 2.351 5.212 -0.939) 5.794 7.552 ( -0.415 3.018 2.113) 3.707 7.647 ( 1.101 6.392 0.102) 6.487 7.765 ( -1.106 3.737 -4.507) 5.958 7.896 ( -4.566 4.845 -0.699) 6.695 7.939 ( 2.036 3.283 -1.005) 3.992 8.287 ( -6.460 4.148 3.997) 8.656 8.486 ( 5.845 -0.569 -4.197) 7.218 8.566 ( -1.684 -4.372 2.094) 5.132 8.754 ( 1.572 4.481 -3.329) 5.799 8.848 ( 3.472 -1.316 1.303) 3.935 9.086 ( -0.927 -7.047 -1.027) 7.182 9.194 ( -2.059 -0.602 -2.434) 3.244 9.768 ( -3.438 -5.492 2.988) 7.135 10.034 ( 1.330 -6.650 -0.842) 6.834 10.443 ( 1.797 -10.066 3.281) 10.739 10.510 ( 0.663 -10.137 0.473) 10.169 ======================= Grid point 145 (72/91) ======================= q-point: ( 0.00 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 0.397 12.874 4.751) 13.728 1.492 ( -0.870 12.162 9.161) 15.251 1.505 ( -2.124 10.919 -2.834) 11.479 1.751 ( -1.027 9.842 -4.942) 11.061 1.774 ( 2.038 6.291 -13.542) 15.071 2.003 ( 1.172 6.314 -2.245) 6.803 2.167 ( 2.889 3.521 0.148) 4.557 2.207 ( -0.356 5.762 -0.122) 5.775 2.295 ( -1.791 3.106 -0.037) 3.586 2.351 ( 2.791 3.600 4.724) 6.562 2.413 ( 4.042 6.315 -1.127) 7.582 2.486 ( -4.590 2.681 -4.304) 6.839 2.725 ( -1.061 9.304 1.252) 9.447 2.797 ( -2.709 9.565 5.592) 11.406 2.882 ( -1.256 17.752 5.966) 18.770 2.961 ( 2.675 15.093 -0.779) 15.349 3.161 ( 3.754 14.317 -6.103) 16.010 3.197 ( -2.718 15.031 0.322) 15.278 3.417 ( 0.199 0.690 -0.294) 0.776 3.444 ( -0.405 -6.555 0.675) 6.602 3.705 ( 0.939 2.360 2.269) 3.405 3.783 ( -0.897 -0.295 -3.758) 3.875 4.039 ( 1.242 0.496 2.999) 3.283 4.204 ( -1.598 -3.768 0.358) 4.108 5.247 ( 0.038 -0.941 -0.333) 0.999 5.308 ( -0.257 0.792 -0.234) 0.865 5.813 ( 0.902 0.959 0.688) 1.485 5.907 ( -0.718 2.150 -0.743) 2.385 6.045 ( -0.153 0.266 0.414) 0.516 6.270 ( -0.120 5.232 -0.103) 5.235 6.446 ( -1.945 2.170 2.866) 4.087 6.500 ( 3.297 -0.072 -1.905) 3.808 6.527 ( -0.482 0.521 0.860) 1.115 6.631 ( -1.363 0.448 4.238) 4.474 6.670 ( 0.304 1.995 0.182) 2.027 6.737 ( 1.150 5.505 -4.688) 7.321 6.880 ( 2.672 1.644 -0.008) 3.137 6.897 ( -3.094 2.559 0.096) 4.016 6.981 ( -1.962 4.372 -0.629) 4.833 6.991 ( 1.470 4.473 -1.899) 5.077 7.186 ( 0.036 1.645 0.791) 1.826 7.243 ( 1.089 7.529 -0.338) 7.615 7.453 ( -0.728 2.193 1.326) 2.664 7.527 ( 1.129 6.922 -1.516) 7.175 7.578 ( 0.484 -1.445 2.306) 2.764 7.775 ( -1.526 5.372 -0.493) 5.606 7.826 ( 2.700 4.742 -1.138) 5.575 7.854 ( -2.743 -1.465 -0.430) 3.139 8.110 ( -2.094 13.007 1.759) 13.291 8.324 ( 0.965 -2.391 0.278) 2.593 8.428 ( -3.961 1.670 3.876) 5.788 8.595 ( 6.321 0.109 -7.949) 10.156 8.736 ( 0.219 -2.365 -2.412) 3.386 8.879 ( 0.158 -6.801 0.444) 6.817 9.001 ( -0.193 3.191 -0.602) 3.253 9.174 ( -0.591 2.297 -0.179) 2.379 9.625 ( -1.762 -5.824 4.885) 7.803 9.900 ( 0.937 -7.643 -2.119) 7.987 10.275 ( 0.260 -9.799 2.447) 10.103 10.302 ( -0.441 -10.087 -0.608) 10.115 ======================= Grid point 146 (73/91) ======================= q-point: ( 0.20 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 1.175 10.898 -1.054) 11.012 1.516 ( 3.717 11.022 4.929) 12.633 1.624 ( 6.612 10.870 8.119) 15.092 1.706 ( 1.229 11.273 -7.690) 13.701 1.777 ( 4.558 6.234 -4.649) 9.014 1.984 ( -1.624 6.626 -3.013) 7.458 2.091 ( -6.817 4.470 -2.032) 8.401 2.148 ( -5.849 4.076 -1.407) 7.267 2.244 ( -3.596 4.978 -1.414) 6.302 2.382 ( 0.244 2.220 -1.689) 2.800 2.439 ( 2.200 6.959 -4.215) 8.428 2.540 ( 5.611 2.221 5.088) 7.894 2.723 ( -0.037 11.349 2.164) 11.553 2.797 ( -1.727 11.951 5.725) 13.363 2.901 ( 0.743 13.267 1.614) 13.386 3.025 ( 3.816 12.691 0.559) 13.264 3.099 ( -2.529 16.474 -5.009) 17.403 3.226 ( 0.215 13.622 0.882) 13.652 3.359 ( -3.006 -0.742 -0.361) 3.117 3.456 ( 0.430 -2.604 -0.084) 2.640 3.722 ( 0.189 1.773 -1.714) 2.473 3.778 ( 1.149 -1.346 0.852) 1.964 4.049 ( -0.841 1.323 -1.541) 2.198 4.199 ( 0.035 -4.198 3.218) 5.289 5.236 ( -0.845 -0.816 -0.105) 1.180 5.291 ( -1.416 0.486 0.404) 1.550 5.826 ( 0.867 0.913 -1.564) 2.007 5.884 ( -1.764 2.306 0.848) 3.024 6.037 ( -0.787 0.810 0.386) 1.193 6.292 ( 2.056 5.473 0.509) 5.869 6.411 ( -2.566 2.809 1.148) 3.973 6.511 ( -0.566 -0.423 -1.079) 1.290 6.562 ( 1.174 1.573 1.512) 2.477 6.644 ( -1.165 0.501 0.823) 1.512 6.659 ( 1.357 2.004 0.242) 2.433 6.707 ( -0.580 3.322 -3.758) 5.049 6.798 ( -3.930 4.367 -1.357) 6.030 6.923 ( -0.038 1.820 0.358) 1.855 6.997 ( 3.704 3.746 -0.576) 5.300 7.049 ( 1.127 3.497 3.052) 4.777 7.178 ( 3.110 5.434 -1.991) 6.570 7.273 ( 0.003 4.528 -0.396) 4.546 7.395 ( -4.620 0.759 1.421) 4.893 7.522 ( -0.028 6.241 -2.116) 6.590 7.618 ( 1.014 1.757 0.599) 2.115 7.751 ( -2.179 3.359 0.390) 4.023 7.809 ( 1.468 6.425 -0.138) 6.592 7.890 ( 2.111 0.371 1.182) 2.447 8.082 ( -1.939 10.624 3.192) 11.261 8.355 ( 0.425 -5.807 -0.203) 5.826 8.397 ( -0.011 5.228 2.225) 5.682 8.629 ( 2.318 -0.109 -6.771) 7.157 8.727 ( 0.226 -1.841 -1.770) 2.564 8.890 ( 0.839 -6.969 -0.959) 7.085 8.953 ( -3.727 3.680 0.907) 5.316 9.183 ( 0.997 1.169 0.161) 1.545 9.646 ( 0.479 -5.404 4.725) 7.195 9.897 ( 0.282 -7.866 -2.474) 8.251 10.278 ( -1.467 -9.073 -0.467) 9.203 10.288 ( -0.404 -10.305 1.403) 10.408 ======================= Grid point 147 (74/91) ======================= q-point: ( 0.40 0.23 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 0.767 11.715 -1.904) 11.893 1.638 ( 4.763 8.360 2.022) 9.832 1.692 ( 2.369 10.137 -2.213) 10.642 1.775 ( 5.893 7.345 -0.549) 9.433 1.901 ( -4.361 8.728 -1.230) 9.834 1.925 ( 7.017 6.921 5.034) 11.067 1.954 ( -5.964 8.243 -0.047) 10.174 2.025 ( -2.491 3.397 -5.179) 6.676 2.169 ( -2.204 3.223 -1.816) 4.306 2.346 ( -1.825 5.336 -7.046) 9.025 2.458 ( 0.957 3.013 -0.324) 3.178 2.634 ( 1.544 4.356 2.708) 5.356 2.754 ( 1.182 11.431 3.079) 11.897 2.803 ( -1.164 15.833 5.078) 16.668 2.912 ( -0.668 14.518 0.345) 14.537 3.033 ( -3.219 12.247 1.321) 12.732 3.091 ( 3.439 10.283 -4.324) 11.673 3.172 ( -3.716 8.023 1.944) 9.053 3.356 ( 1.530 2.198 -0.004) 2.678 3.471 ( 1.041 -2.178 -0.796) 2.542 3.704 ( -0.378 -4.220 -2.299) 4.820 3.804 ( 0.476 6.778 2.052) 7.098 4.007 ( -1.637 3.932 -2.466) 4.922 4.230 ( 0.687 -6.892 2.761) 7.457 5.226 ( -0.139 0.302 0.053) 0.337 5.271 ( -0.758 -1.101 0.685) 1.502 5.829 ( 0.073 4.001 -2.007) 4.477 5.859 ( -0.422 0.086 0.640) 0.771 6.025 ( -0.603 1.218 0.328) 1.398 6.342 ( 2.356 5.154 1.222) 5.797 6.383 ( -1.015 1.620 1.204) 2.259 6.463 ( -3.493 2.878 -0.930) 4.621 6.558 ( -1.563 2.715 1.372) 3.420 6.615 ( -1.406 2.513 0.404) 2.908 6.672 ( 0.694 1.869 -5.550) 5.897 6.722 ( 1.900 1.610 -0.481) 2.536 6.783 ( 3.241 1.039 0.666) 3.468 6.894 ( -2.535 3.096 0.262) 4.010 7.056 ( 1.074 3.514 0.540) 3.714 7.076 ( 2.311 4.985 0.966) 5.579 7.199 ( -2.765 5.314 -1.044) 6.081 7.282 ( 0.641 3.846 0.257) 3.908 7.360 ( 3.155 2.047 0.678) 3.821 7.473 ( -5.093 4.398 -0.281) 6.735 7.634 ( 0.437 3.986 1.614) 4.322 7.716 ( -0.770 4.446 -1.344) 4.708 7.856 ( 1.902 4.665 0.589) 5.073 7.922 ( 1.071 3.528 0.140) 3.690 8.088 ( 0.404 5.935 2.560) 6.476 8.342 ( -0.166 -3.650 -0.057) 3.654 8.437 ( 1.217 3.022 0.975) 3.401 8.600 ( -1.273 -0.688 -4.115) 4.362 8.726 ( 0.451 -1.411 0.598) 1.597 8.861 ( -1.077 1.686 -4.183) 4.637 8.940 ( 0.144 -3.759 2.957) 4.785 9.198 ( 0.967 -0.343 -1.161) 1.549 9.687 ( 0.239 -5.470 4.315) 6.971 9.883 ( 0.137 -7.701 -2.498) 8.098 10.243 ( -1.638 -8.487 -0.118) 8.645 10.290 ( -0.140 -9.709 0.773) 9.740 ======================= Grid point 148 (75/91) ======================= q-point: (-0.40 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -1.813 13.630 0.189) 13.752 1.619 ( -5.006 9.844 -1.811) 11.191 1.732 ( -6.439 9.030 -1.122) 11.147 1.787 ( 2.159 3.612 0.649) 4.258 1.877 ( 4.352 7.523 -0.599) 8.712 1.922 ( 1.613 3.334 -0.005) 3.704 2.007 ( 7.638 9.971 -4.012) 13.186 2.052 ( -1.139 9.552 -2.707) 9.993 2.193 ( 3.984 6.830 2.557) 8.310 2.251 ( -0.770 0.085 -6.063) 6.112 2.456 ( -1.297 2.658 0.231) 2.967 2.645 ( -1.374 5.990 1.217) 6.265 2.774 ( -1.044 6.655 0.962) 6.805 2.819 ( -1.463 20.508 7.040) 21.732 2.901 ( 0.601 14.738 -1.705) 14.848 2.963 ( -6.309 17.952 5.967) 19.941 3.097 ( 1.937 6.641 -4.477) 8.240 3.200 ( 3.598 1.898 0.900) 4.166 3.369 ( -0.133 1.987 -0.874) 2.175 3.465 ( -0.873 0.090 -0.721) 1.135 3.691 ( 0.019 -6.782 -0.791) 6.828 3.831 ( 1.471 12.093 0.230) 12.184 3.970 ( -1.264 2.766 0.416) 3.069 4.247 ( -0.194 -7.666 0.931) 7.725 5.228 ( 0.384 0.843 -0.179) 0.943 5.279 ( 1.116 -1.751 0.082) 2.078 5.803 ( -1.456 3.772 0.443) 4.068 5.882 ( 2.370 0.702 -1.574) 2.931 6.024 ( 0.276 1.101 0.453) 1.222 6.350 ( -2.405 3.142 0.532) 3.993 6.405 ( 0.177 2.833 -0.505) 2.883 6.416 ( 1.438 2.411 2.451) 3.726 6.550 ( -0.849 3.820 3.073) 4.975 6.604 ( -0.232 2.914 1.203) 3.161 6.663 ( 2.174 1.461 -4.921) 5.574 6.731 ( -0.776 0.858 -1.214) 1.677 6.811 ( 0.132 1.102 -1.977) 2.267 6.904 ( 3.190 4.258 -0.362) 5.333 7.055 ( -2.245 2.821 0.201) 3.611 7.094 ( -0.109 5.435 -0.695) 5.480 7.167 ( -0.245 5.357 2.195) 5.794 7.274 ( -1.680 4.767 0.935) 5.141 7.366 ( -3.154 2.093 0.129) 3.787 7.468 ( 4.927 4.433 0.149) 6.630 7.625 ( -2.841 3.330 2.108) 4.859 7.715 ( 1.489 3.763 -0.659) 4.100 7.867 ( -0.761 3.913 -0.406) 4.007 7.936 ( 0.677 4.544 -1.472) 4.824 8.116 ( 1.186 4.193 0.078) 4.359 8.352 ( 0.178 0.322 0.316) 0.485 8.446 ( 0.881 -0.826 0.230) 1.229 8.544 ( -3.059 0.817 -0.601) 3.223 8.751 ( 1.300 -3.641 -0.610) 3.914 8.840 ( 1.683 3.902 -2.776) 5.076 8.957 ( -0.049 -3.866 1.705) 4.225 9.205 ( 0.808 -0.442 -2.109) 2.301 9.691 ( -2.724 -6.047 3.852) 7.669 9.879 ( 1.128 -7.228 -2.127) 7.619 10.227 ( -0.291 -8.298 1.486) 8.435 10.295 ( 0.454 -9.637 0.104) 9.649 ======================= Grid point 149 (76/91) ======================= q-point: (-0.20 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -1.882 15.227 2.030) 15.476 1.501 ( -7.429 11.672 8.867) 16.433 1.619 ( -4.209 8.404 -6.635) 11.505 1.778 ( 0.598 5.581 -5.189) 7.645 1.890 ( -3.901 9.155 -11.219) 14.997 1.964 ( 3.769 5.069 -0.443) 6.332 2.061 ( 6.356 4.333 1.255) 7.794 2.130 ( 5.773 5.516 -0.272) 7.989 2.252 ( 5.925 4.980 -2.410) 8.106 2.302 ( 1.332 6.989 3.977) 8.150 2.415 ( -2.667 2.207 0.041) 3.462 2.597 ( -4.159 3.118 -0.894) 5.274 2.744 ( -1.665 7.796 0.166) 7.974 2.825 ( -3.518 16.432 7.698) 18.484 2.883 ( -3.295 18.470 4.332) 19.255 2.930 ( 1.608 16.207 -1.383) 16.345 3.118 ( 2.743 8.146 -3.149) 9.154 3.247 ( -0.625 6.574 0.695) 6.640 3.368 ( 2.330 0.288 -1.299) 2.683 3.454 ( 0.199 1.793 -0.483) 1.868 3.688 ( -0.306 -5.180 1.037) 5.291 3.830 ( -0.859 6.680 -3.137) 7.429 3.986 ( 1.244 2.556 4.202) 5.073 4.234 ( -1.329 -6.143 -0.221) 6.289 5.239 ( 0.886 -0.046 -0.374) 0.963 5.301 ( 1.159 -0.366 -0.491) 1.311 5.795 ( 0.042 2.662 1.199) 2.920 5.910 ( 1.324 1.049 -1.487) 2.250 6.037 ( 0.585 0.675 0.406) 0.981 6.297 ( -2.497 4.820 -0.120) 5.430 6.429 ( 2.189 0.720 0.399) 2.339 6.459 ( 0.563 0.827 2.707) 2.886 6.550 ( -1.620 3.632 2.345) 4.617 6.621 ( 0.526 3.661 2.321) 4.367 6.664 ( -0.831 -1.800 0.064) 1.983 6.718 ( 3.229 2.540 -4.803) 6.320 6.830 ( 3.073 2.884 -3.112) 5.239 6.927 ( -0.768 4.692 0.470) 4.778 6.996 ( -2.111 3.520 -1.074) 4.243 7.101 ( -4.681 3.006 -1.644) 5.801 7.134 ( 0.701 5.664 1.876) 6.008 7.250 ( -0.305 5.854 1.769) 6.123 7.401 ( 3.836 0.899 0.623) 3.989 7.511 ( 0.800 7.217 -0.937) 7.321 7.590 ( -2.283 0.539 2.934) 3.757 7.760 ( 3.217 2.231 0.140) 3.917 7.828 ( -2.311 3.110 -1.783) 4.265 7.917 ( -1.822 3.183 -1.893) 4.128 8.125 ( 0.005 10.069 -0.488) 10.081 8.332 ( -2.275 -2.138 2.123) 3.775 8.482 ( -4.139 2.206 2.826) 5.476 8.509 ( 6.787 -0.382 -5.410) 8.688 8.749 ( 0.171 -3.187 -2.672) 4.162 8.871 ( 1.142 -2.412 0.197) 2.676 8.975 ( 1.851 0.655 0.053) 1.964 9.197 ( -0.426 0.973 -1.879) 2.158 9.650 ( -3.811 -6.090 4.340) 8.393 9.891 ( 1.352 -7.281 -1.973) 7.663 10.248 ( 0.689 -9.132 2.679) 9.542 10.304 ( 0.459 -9.898 -0.349) 9.915 ======================= Grid point 150 (77/91) ======================= q-point: ( 0.00 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -1.393 11.565 2.305) 11.875 1.699 ( -0.837 9.112 -0.998) 9.205 1.739 ( 0.394 10.744 3.580) 11.331 1.864 ( 1.217 3.710 -5.745) 6.946 1.957 ( 0.133 9.506 -6.562) 11.552 2.100 ( 0.854 4.271 -2.785) 5.169 2.204 ( 1.985 0.361 0.017) 2.018 2.233 ( 2.007 -0.966 -0.920) 2.410 2.299 ( -1.647 -0.605 0.187) 1.764 2.433 ( -1.752 0.972 3.291) 3.853 2.524 ( 1.548 4.013 0.129) 4.304 2.561 ( 1.089 4.582 -2.649) 5.403 2.857 ( -1.871 3.061 5.825) 6.841 2.903 ( -0.848 1.415 0.410) 1.700 3.062 ( 0.260 -5.359 3.223) 6.259 3.127 ( -0.598 1.875 -1.249) 2.331 3.336 ( 0.971 3.060 -4.019) 5.144 3.406 ( -1.124 11.009 -0.150) 11.067 3.481 ( -4.657 7.341 -0.836) 8.734 3.488 ( 4.264 5.647 0.774) 7.118 3.826 ( 4.911 13.229 6.150) 15.394 3.946 ( -3.109 12.939 -5.386) 14.356 4.137 ( -0.010 8.590 2.389) 8.917 4.172 ( -0.964 1.698 0.604) 2.044 5.250 ( -0.092 1.117 -0.660) 1.301 5.337 ( -0.037 1.799 -0.070) 1.801 5.843 ( 0.083 1.961 0.186) 1.972 5.941 ( -0.214 0.391 0.276) 0.524 6.078 ( -0.279 4.247 0.781) 4.327 6.381 ( 0.452 5.869 -0.112) 5.888 6.470 ( 1.215 -1.399 1.271) 2.247 6.493 ( -0.390 0.630 0.369) 0.828 6.512 ( -0.227 0.194 -1.556) 1.584 6.632 ( -1.551 0.666 3.578) 3.956 6.704 ( 1.876 0.948 -1.403) 2.527 6.791 ( 0.890 0.231 -1.042) 1.390 6.901 ( 0.969 -0.396 -0.221) 1.070 6.932 ( -2.695 0.932 -1.739) 3.340 7.070 ( -1.287 3.872 -0.720) 4.143 7.136 ( -0.055 8.919 1.036) 8.979 7.222 ( 0.377 1.452 0.787) 1.694 7.346 ( 1.052 2.565 -0.128) 2.776 7.490 ( -6.912 -0.791 3.568) 7.819 7.540 ( 6.960 0.187 -1.461) 7.115 7.682 ( -0.277 7.635 -0.909) 7.694 7.731 ( 1.440 -4.772 -0.099) 4.985 7.893 ( -0.721 5.210 1.502) 5.470 7.976 ( -0.680 5.150 -3.505) 6.267 8.179 ( 0.584 -7.604 -0.682) 7.657 8.354 ( -3.121 9.962 3.593) 11.041 8.479 ( -0.202 -1.018 1.357) 1.708 8.632 ( 3.648 2.740 -6.148) 7.656 8.691 ( -0.503 -0.390 -0.802) 1.024 8.747 ( 1.411 -4.636 -1.125) 4.975 9.085 ( -0.816 4.220 0.026) 4.298 9.239 ( -0.255 3.949 0.388) 3.976 9.508 ( -1.270 -5.627 4.336) 7.216 9.753 ( 0.713 -6.877 -2.342) 7.300 10.097 ( 0.191 -7.656 1.475) 7.800 10.121 ( -0.327 -7.814 -0.348) 7.828 ======================= Grid point 151 (78/91) ======================= q-point: ( 0.20 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 0.513 10.685 0.794) 10.727 1.722 ( 2.745 9.142 2.238) 9.804 1.807 ( 3.568 6.837 1.681) 7.893 1.872 ( 4.274 4.497 -4.594) 7.720 1.934 ( 0.477 10.289 -1.982) 10.489 2.090 ( -0.145 4.711 -2.578) 5.373 2.140 ( -5.312 1.863 -2.483) 6.152 2.177 ( -3.330 -0.267 -2.388) 4.107 2.353 ( 1.857 2.260 1.222) 3.170 2.399 ( -5.308 1.799 0.078) 5.605 2.515 ( 3.187 -0.083 -0.907) 3.315 2.598 ( 1.214 4.233 -1.309) 4.594 2.891 ( 1.030 3.700 -0.215) 3.847 2.935 ( 2.612 0.735 8.082) 8.525 3.088 ( 1.045 -6.159 0.148) 6.249 3.121 ( 0.069 3.532 1.441) 3.815 3.263 ( -3.295 2.349 -4.442) 6.009 3.363 ( -6.265 7.912 0.653) 10.114 3.430 ( 0.275 6.620 2.444) 7.062 3.557 ( 2.267 8.350 0.100) 8.653 3.845 ( -2.494 12.316 -8.490) 15.165 3.956 ( 4.396 15.133 5.624) 16.732 4.147 ( -1.285 1.114 0.689) 1.835 4.163 ( 0.505 8.493 1.387) 8.620 5.241 ( -0.442 1.233 0.035) 1.311 5.315 ( -1.959 1.691 0.027) 2.588 5.854 ( 1.002 1.802 -0.041) 2.063 5.930 ( -1.085 1.435 0.132) 1.804 6.077 ( -0.390 4.203 0.611) 4.265 6.404 ( 1.809 5.832 0.044) 6.106 6.454 ( -2.392 1.080 -0.670) 2.709 6.501 ( 1.594 0.061 -0.511) 1.675 6.551 ( 3.256 -1.752 0.722) 3.767 6.623 ( -1.344 0.297 1.905) 2.350 6.713 ( 0.497 1.048 -2.994) 3.210 6.743 ( -3.970 0.954 -1.310) 4.288 6.848 ( -2.944 0.545 -0.580) 3.050 6.944 ( 1.063 0.096 1.670) 1.982 7.098 ( 2.964 3.381 1.880) 4.873 7.153 ( 0.213 7.637 0.791) 7.680 7.264 ( 4.542 2.577 0.204) 5.226 7.351 ( -2.040 3.003 -0.852) 3.729 7.389 ( -4.122 -1.202 2.376) 4.907 7.607 ( -1.768 1.237 -0.524) 2.220 7.664 ( 2.205 2.379 -1.193) 3.457 7.763 ( 2.371 0.356 -2.850) 3.724 7.927 ( 2.242 4.966 0.979) 5.536 7.951 ( -0.128 3.986 0.609) 4.035 8.179 ( 0.403 -3.163 -1.412) 3.487 8.316 ( -3.709 5.113 5.240) 8.207 8.492 ( 1.940 1.051 -1.951) 2.945 8.625 ( -1.643 1.185 -2.626) 3.317 8.674 ( -0.164 -3.040 -0.865) 3.165 8.789 ( 3.569 -1.671 -2.927) 4.909 9.045 ( -3.142 4.885 1.418) 5.978 9.234 ( -0.614 3.545 0.291) 3.610 9.534 ( 0.818 -5.576 4.034) 6.930 9.746 ( 0.180 -7.026 -2.360) 7.414 10.099 ( -0.657 -7.851 -0.010) 7.878 10.116 ( -0.096 -7.234 0.642) 7.263 ======================= Grid point 152 (79/91) ======================= q-point: ( 0.40 0.31 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 1.427 10.699 -0.819) 10.825 1.787 ( 2.286 6.279 1.763) 6.911 1.839 ( 0.792 2.780 -3.642) 4.650 1.916 ( 2.082 8.248 -2.967) 9.010 2.000 ( 0.626 4.358 0.684) 4.455 2.064 ( -2.368 4.006 -0.249) 4.661 2.072 ( 3.779 5.233 4.840) 8.068 2.136 ( 2.187 5.665 -3.606) 7.062 2.241 ( -5.847 4.811 -1.773) 7.777 2.409 ( -0.951 0.577 -3.039) 3.236 2.494 ( -1.124 0.753 -4.456) 4.657 2.643 ( 1.747 -1.126 2.929) 3.591 2.887 ( -0.992 0.568 -0.401) 1.212 3.037 ( 1.466 -0.157 7.785) 7.923 3.088 ( -2.083 2.705 1.113) 3.591 3.149 ( 0.292 1.434 4.654) 4.879 3.220 ( 4.165 2.746 -8.438) 9.803 3.267 ( -3.913 2.303 1.104) 4.672 3.437 ( -1.988 10.586 5.123) 11.928 3.582 ( 0.813 9.558 -0.296) 9.597 3.748 ( -1.857 10.394 -8.433) 13.513 4.058 ( 2.929 15.925 4.599) 16.833 4.117 ( -2.365 -1.707 1.551) 3.303 4.180 ( 0.916 10.716 -1.494) 10.859 5.243 ( 0.630 1.442 0.523) 1.658 5.278 ( -1.716 1.354 -0.127) 2.190 5.875 ( 0.662 1.553 0.251) 1.707 5.910 ( -0.346 3.037 -0.652) 3.125 6.069 ( -0.584 4.174 0.324) 4.227 6.409 ( -2.015 1.512 0.340) 2.543 6.440 ( 1.411 4.326 1.278) 4.727 6.512 ( -0.150 2.271 -1.223) 2.583 6.597 ( -0.977 2.214 -0.651) 2.506 6.621 ( 1.872 -2.301 0.770) 3.064 6.671 ( -1.976 -1.251 -0.476) 2.387 6.699 ( 0.334 -0.777 -2.618) 2.751 6.834 ( 1.257 1.847 -0.284) 2.252 6.957 ( -0.236 1.280 1.318) 1.852 7.145 ( -0.228 3.972 2.216) 4.554 7.173 ( 2.092 5.451 -0.926) 5.911 7.288 ( -2.425 1.672 1.664) 3.383 7.346 ( -2.040 3.266 0.614) 3.899 7.383 ( 6.292 1.041 1.245) 6.498 7.529 ( -5.835 1.502 0.208) 6.029 7.684 ( -0.047 0.355 -0.237) 0.430 7.790 ( 2.332 2.425 -3.889) 5.143 7.932 ( 0.035 2.733 -0.056) 2.733 7.999 ( 2.023 4.176 1.320) 4.824 8.181 ( 0.574 3.571 -1.376) 3.870 8.303 ( 0.142 0.038 2.642) 2.646 8.523 ( 2.106 3.167 -1.885) 4.245 8.554 ( -3.680 -2.630 -1.040) 4.641 8.667 ( -0.357 -3.233 -0.134) 3.255 8.823 ( 1.451 -1.241 -2.055) 2.805 9.015 ( -0.698 6.399 1.438) 6.596 9.221 ( -0.421 2.459 -0.403) 2.527 9.572 ( -0.160 -5.822 4.108) 7.127 9.734 ( 0.510 -6.976 -2.569) 7.451 10.083 ( -0.793 -7.099 -0.099) 7.144 10.120 ( 0.000 -7.071 0.569) 7.094 ======================= Grid point 153 (80/91) ======================= q-point: (-0.40 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 0.577 11.722 -1.554) 11.839 1.779 ( -3.558 5.094 0.076) 6.214 1.847 ( 1.013 3.014 -1.654) 3.584 1.903 ( -2.271 8.059 -1.939) 8.594 1.995 ( 1.278 3.941 0.002) 4.143 2.030 ( 0.970 8.038 2.026) 8.346 2.140 ( 0.503 3.288 -3.998) 5.201 2.227 ( 6.115 6.347 -0.582) 8.832 2.231 ( -0.845 -0.031 -4.239) 4.323 2.317 ( 2.841 4.510 -0.318) 5.339 2.467 ( -2.367 -0.894 0.227) 2.540 2.663 ( -1.060 -1.449 1.010) 2.060 2.865 ( -1.439 -0.679 2.035) 2.583 3.054 ( -2.655 -0.215 4.004) 4.810 3.062 ( -4.445 2.212 5.295) 7.258 3.156 ( 0.993 1.658 -2.009) 2.788 3.252 ( 2.598 4.444 -2.608) 5.770 3.280 ( 3.684 2.617 -1.346) 4.715 3.448 ( 0.562 13.402 3.836) 13.951 3.586 ( -0.389 9.157 -0.308) 9.171 3.684 ( -0.340 9.007 -3.751) 9.762 4.080 ( -2.972 1.687 2.365) 4.156 4.118 ( 0.819 15.174 2.512) 15.403 4.179 ( 0.590 7.270 -2.402) 7.679 5.254 ( -0.317 1.592 -0.511) 1.702 5.274 ( 2.042 1.099 0.227) 2.330 5.866 ( -1.341 2.502 0.670) 2.917 5.920 ( 1.417 2.126 -1.189) 2.818 6.067 ( 0.102 4.180 0.554) 4.218 6.388 ( -1.085 1.416 1.968) 2.656 6.460 ( -0.734 2.501 0.492) 2.652 6.486 ( -0.789 4.174 0.186) 4.252 6.590 ( 0.264 1.678 0.498) 1.770 6.640 ( -0.099 -1.021 -1.505) 1.822 6.651 ( -0.624 -0.062 1.817) 1.922 6.694 ( 1.341 -2.749 -2.561) 3.989 6.863 ( 2.393 1.938 -2.848) 4.195 6.975 ( 1.486 1.246 -0.166) 1.946 7.144 ( -1.508 5.438 1.854) 5.940 7.175 ( -0.191 3.053 -1.093) 3.248 7.280 ( -1.102 4.448 3.403) 5.708 7.346 ( 2.405 2.688 -0.065) 3.607 7.397 ( -7.242 1.275 0.060) 7.354 7.511 ( 5.089 0.434 1.970) 5.474 7.666 ( -2.075 -0.095 1.242) 2.420 7.778 ( -1.268 2.793 -2.334) 3.854 7.933 ( -0.205 2.321 -0.094) 2.332 8.032 ( 1.508 4.413 -2.018) 5.081 8.174 ( -0.496 2.489 -0.792) 2.658 8.355 ( 4.450 -0.339 -1.743) 4.791 8.466 ( -4.392 2.091 2.849) 5.637 8.570 ( 2.579 1.268 -2.056) 3.534 8.664 ( 0.385 -4.416 -0.197) 4.437 8.812 ( -1.447 -1.691 -0.798) 2.364 9.032 ( 1.775 6.711 -0.120) 6.943 9.221 ( 0.733 2.011 -0.506) 2.200 9.568 ( -3.032 -6.027 4.256) 7.977 9.738 ( 1.554 -6.765 -2.681) 7.441 10.074 ( -0.280 -6.736 0.766) 6.785 10.124 ( 0.141 -7.238 0.173) 7.241 ======================= Grid point 154 (81/91) ======================= q-point: (-0.20 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -0.950 12.227 -1.186) 12.321 1.714 ( -3.914 8.951 5.341) 11.134 1.789 ( -3.199 8.150 -4.524) 9.856 1.879 ( 0.192 4.504 -2.134) 4.987 2.015 ( -0.707 5.043 -4.648) 6.894 2.091 ( 1.616 6.560 -3.075) 7.423 2.126 ( 4.667 3.136 -1.137) 5.736 2.158 ( 2.413 -1.215 -2.689) 3.812 2.371 ( 2.255 4.319 -0.133) 4.874 2.390 ( 2.543 0.897 0.754) 2.801 2.440 ( 0.996 1.252 4.093) 4.395 2.619 ( -3.135 1.059 -1.292) 3.552 2.862 ( -1.098 1.868 3.484) 4.103 2.969 ( -6.807 -1.109 3.215) 7.609 3.046 ( -1.228 -2.197 4.345) 5.021 3.150 ( -0.111 1.585 -2.997) 3.392 3.296 ( 4.286 6.041 -4.493) 8.663 3.363 ( 5.377 7.145 1.431) 9.056 3.466 ( -0.590 9.854 -1.562) 9.995 3.557 ( -2.693 8.303 -0.116) 8.729 3.710 ( 3.184 9.848 4.087) 11.127 4.027 ( -3.227 9.905 -1.210) 10.488 4.129 ( -0.639 9.621 2.240) 9.899 4.179 ( 0.168 4.286 -0.502) 4.319 5.251 ( 0.380 1.289 -0.918) 1.627 5.316 ( 2.032 1.511 -0.042) 2.532 5.848 ( -0.798 2.611 0.379) 2.756 5.936 ( 0.709 0.682 -0.277) 1.022 6.075 ( 0.134 4.232 0.701) 4.291 6.385 ( -0.904 3.462 1.641) 3.936 6.445 ( 0.310 1.305 0.253) 1.365 6.487 ( -0.184 2.291 0.919) 2.476 6.564 ( -3.304 -1.746 -0.422) 3.761 6.627 ( 0.251 0.390 1.730) 1.791 6.674 ( 1.411 1.765 0.217) 2.269 6.739 ( 4.031 -0.904 -0.973) 4.244 6.884 ( 2.116 1.530 -3.585) 4.435 6.979 ( -0.654 0.188 -1.777) 1.902 7.112 ( -2.321 5.852 0.726) 6.338 7.170 ( -0.907 4.502 -0.762) 4.655 7.239 ( -5.409 4.619 2.361) 7.495 7.326 ( 0.818 1.092 1.708) 2.186 7.423 ( 5.562 1.300 -1.234) 5.844 7.568 ( -2.452 -1.030 3.586) 4.464 7.648 ( 1.436 3.080 -0.275) 3.409 7.741 ( -1.336 0.202 -0.263) 1.377 7.916 ( -1.585 4.282 0.257) 4.573 8.017 ( -0.710 5.164 -4.238) 6.717 8.169 ( 0.530 -4.911 -0.401) 4.956 8.385 ( -1.431 7.728 0.589) 7.882 8.460 ( 1.667 -2.145 1.451) 3.080 8.596 ( 2.527 4.252 -2.943) 5.755 8.681 ( 1.692 -3.203 -1.344) 3.863 8.769 ( -2.497 -3.422 0.013) 4.236 9.069 ( 2.266 5.454 -0.970) 5.985 9.235 ( 0.655 2.878 -0.058) 2.952 9.528 ( -3.607 -5.848 4.438) 8.180 9.749 ( 1.320 -6.714 -2.536) 7.298 10.082 ( 0.238 -7.160 1.533) 7.326 10.126 ( 0.034 -7.654 -0.180) 7.657 ======================= Grid point 155 (82/91) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -1.545 7.533 1.422) 7.820 1.850 ( 0.579 5.345 -1.040) 5.476 1.899 ( 0.585 3.923 -1.973) 4.430 1.943 ( 0.059 5.576 -2.463) 6.096 2.127 ( -0.095 6.533 -1.508) 6.706 2.142 ( 1.085 -1.301 -0.963) 1.949 2.212 ( 0.853 3.986 -0.882) 4.170 2.239 ( 0.763 1.224 -1.778) 2.289 2.299 ( -0.123 0.301 -0.381) 0.501 2.413 ( -0.740 -2.167 1.705) 2.855 2.572 ( 2.935 1.136 1.451) 3.466 2.619 ( -1.516 1.176 -1.847) 2.663 2.810 ( 0.376 -8.090 4.120) 9.087 2.860 ( 0.534 -5.166 -0.009) 5.194 2.936 ( -2.775 -2.344 0.936) 3.751 3.072 ( -0.127 -5.420 2.632) 6.026 3.388 ( -0.083 2.555 -3.367) 4.227 3.486 ( 1.854 -1.345 -2.041) 3.068 3.649 ( -2.591 9.673 0.952) 10.059 3.671 ( -0.529 8.553 -0.531) 8.585 4.121 ( 5.270 13.130 5.090) 15.036 4.210 ( 0.282 9.996 0.127) 10.001 4.258 ( -2.880 8.634 -2.704) 9.494 4.345 ( -1.548 9.477 1.295) 9.689 5.287 ( -0.076 2.332 -0.523) 2.391 5.369 ( 0.002 1.105 -0.019) 1.105 5.883 ( -0.516 1.726 0.947) 2.035 5.935 ( 0.400 -0.371 -0.670) 0.864 6.205 ( -0.464 7.592 1.672) 7.788 6.414 ( 0.921 -1.832 -1.145) 2.348 6.504 ( 0.648 -0.392 -0.173) 0.777 6.513 ( 0.111 5.225 0.020) 5.226 6.551 ( 0.033 3.985 -0.024) 3.985 6.661 ( -2.136 1.799 3.215) 4.258 6.721 ( 1.660 1.646 -2.188) 3.202 6.777 ( 1.767 -1.355 0.071) 2.227 6.841 ( -0.954 -5.109 -0.854) 5.266 6.956 ( -1.422 1.132 -0.432) 1.868 7.120 ( -0.920 0.906 -0.329) 1.333 7.221 ( 0.213 -2.270 0.631) 2.366 7.301 ( -1.648 6.767 2.595) 7.432 7.367 ( 1.340 0.297 1.265) 1.867 7.435 ( -2.731 -1.784 -0.472) 3.296 7.571 ( 3.516 0.716 -0.275) 3.599 7.658 ( 0.252 -1.655 -0.062) 1.675 7.805 ( 0.661 2.367 -0.672) 2.548 7.971 ( 1.073 0.631 0.369) 1.299 7.995 ( -2.579 0.432 -0.458) 2.655 8.130 ( 1.371 2.771 -2.890) 4.232 8.401 ( 0.775 -5.147 -2.324) 5.700 8.484 ( -3.335 2.633 3.030) 5.219 8.613 ( 1.552 -2.750 -2.113) 3.800 8.724 ( -0.518 3.441 1.034) 3.630 8.773 ( 2.593 4.020 -2.347) 5.329 9.162 ( -0.959 3.479 0.357) 3.626 9.325 ( -0.095 4.227 0.292) 4.238 9.403 ( -0.767 -4.590 3.245) 5.673 9.626 ( 0.446 -5.740 -1.922) 6.069 9.973 ( 0.126 -4.565 0.711) 4.622 9.992 ( -0.287 -4.978 0.016) 4.986 ======================= Grid point 156 (83/91) ======================= q-point: ( 0.20 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -0.216 7.067 0.786) 7.114 1.864 ( 1.320 3.808 -0.350) 4.046 1.895 ( -0.003 3.175 -1.884) 3.692 1.964 ( 3.023 4.698 -0.318) 5.595 2.107 ( -0.756 4.085 -0.948) 4.261 2.144 ( 0.008 3.019 -1.612) 3.423 2.181 ( -3.081 2.307 -1.396) 4.094 2.217 ( 0.657 4.360 -1.287) 4.593 2.345 ( 3.230 -0.688 -0.212) 3.309 2.424 ( -1.253 -1.531 1.163) 2.294 2.525 ( -2.331 2.052 -2.398) 3.924 2.646 ( 0.523 0.381 -0.561) 0.857 2.808 ( -2.143 -9.008 0.501) 9.273 2.862 ( 2.071 -5.496 1.550) 6.074 2.999 ( 4.540 -3.396 4.575) 7.285 3.084 ( 0.314 -4.006 0.997) 4.140 3.322 ( -4.454 2.765 -0.480) 5.265 3.420 ( -5.334 -0.150 -4.782) 7.165 3.633 ( 0.093 10.386 4.032) 11.141 3.723 ( 3.162 7.203 1.598) 8.027 4.111 ( -3.544 11.824 -6.486) 13.944 4.204 ( -3.277 4.818 -1.123) 5.933 4.269 ( 4.655 14.128 4.330) 15.493 4.375 ( 2.402 9.924 2.211) 10.448 5.279 ( -0.384 2.331 0.007) 2.362 5.348 ( -1.945 1.264 -0.002) 2.320 5.891 ( 0.562 1.690 1.147) 2.118 5.942 ( 0.740 0.213 -1.015) 1.274 6.204 ( -0.710 7.655 1.189) 7.780 6.427 ( 1.178 -2.226 -1.607) 2.987 6.512 ( 0.455 2.165 -0.636) 2.302 6.531 ( 1.723 2.773 -0.032) 3.265 6.554 ( 0.402 3.196 -0.275) 3.233 6.639 ( -2.132 0.975 3.245) 4.004 6.729 ( 0.716 1.475 -3.349) 3.729 6.742 ( -3.798 -1.344 -1.589) 4.331 6.833 ( -0.186 -1.898 0.367) 1.942 6.942 ( -0.311 0.134 2.171) 2.197 7.134 ( 1.572 0.352 1.430) 2.155 7.245 ( 1.390 -2.813 0.430) 3.167 7.301 ( -0.199 4.546 1.244) 4.717 7.352 ( -3.383 -0.867 3.847) 5.196 7.421 ( 2.049 3.457 -1.518) 4.296 7.615 ( -0.865 0.215 -0.852) 1.233 7.651 ( 1.135 -2.011 -1.448) 2.725 7.796 ( -0.265 -0.182 -1.926) 1.953 7.983 ( 1.553 1.518 -1.659) 2.732 8.023 ( 3.026 3.549 2.323) 5.211 8.155 ( 3.442 1.449 -2.289) 4.380 8.381 ( -2.355 -1.648 -0.748) 2.970 8.442 ( -1.601 -0.955 1.481) 2.381 8.604 ( -1.870 -3.511 -0.303) 3.990 8.712 ( -0.968 5.280 -0.109) 5.369 8.806 ( 2.523 1.930 -2.986) 4.359 9.141 ( -1.390 4.610 1.416) 5.019 9.315 ( -1.176 4.297 0.172) 4.458 9.426 ( 0.924 -5.093 2.778) 5.874 9.616 ( -0.194 -5.880 -1.678) 6.118 9.974 ( -0.288 -4.542 0.077) 4.552 9.995 ( 0.366 -4.708 0.483) 4.747 ======================= Grid point 157 (84/91) ======================= q-point: ( 0.40 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 1.633 6.252 -0.425) 6.476 1.859 ( -0.994 0.547 -2.560) 2.801 1.890 ( 0.668 3.864 -0.608) 3.968 2.037 ( 3.759 3.283 -0.271) 4.998 2.090 ( -1.089 1.013 -0.305) 1.518 2.115 ( -0.049 5.858 -0.888) 5.925 2.185 ( 2.379 4.592 1.851) 5.493 2.228 ( 1.527 3.624 -1.304) 4.143 2.335 ( -4.945 3.482 -0.740) 6.093 2.400 ( 0.696 -1.010 -2.072) 2.408 2.484 ( -0.787 -0.704 -3.235) 3.403 2.630 ( -1.769 -0.347 1.476) 2.330 2.762 ( -1.921 -8.379 -0.126) 8.597 2.957 ( 4.360 -6.778 3.045) 8.615 3.063 ( -0.168 -5.227 4.730) 7.052 3.136 ( 3.691 0.261 -1.062) 3.850 3.243 ( -4.831 -0.636 3.725) 6.134 3.285 ( -3.306 0.493 -6.170) 7.017 3.678 ( 1.257 11.046 4.311) 11.924 3.785 ( 2.251 8.684 1.792) 9.148 4.006 ( -2.808 12.277 -6.777) 14.301 4.134 ( -3.127 3.571 -0.563) 4.780 4.363 ( 2.679 13.175 3.146) 13.808 4.420 ( 0.994 10.925 0.438) 10.979 5.280 ( 0.514 2.017 0.283) 2.101 5.311 ( -1.672 1.603 -0.055) 2.317 5.910 ( 0.312 1.689 1.187) 2.088 5.947 ( 0.628 1.027 -1.287) 1.762 6.195 ( -0.757 7.451 0.609) 7.514 6.427 ( -0.373 0.024 -0.781) 0.866 6.517 ( 0.036 2.898 0.555) 2.951 6.560 ( 0.413 1.043 -0.743) 1.346 6.571 ( 2.062 0.048 0.638) 2.159 6.630 ( -0.253 -0.197 0.957) 1.010 6.661 ( -3.552 -0.011 -0.095) 3.553 6.707 ( -0.041 3.058 -3.893) 4.950 6.840 ( 0.654 -1.227 0.434) 1.456 6.959 ( 0.596 -0.587 1.385) 1.618 7.164 ( 0.412 -0.994 0.488) 1.181 7.265 ( -0.893 -2.905 3.035) 4.295 7.294 ( 0.308 4.537 1.160) 4.693 7.360 ( 1.044 0.156 0.299) 1.097 7.456 ( 2.028 3.597 1.594) 4.426 7.556 ( -4.286 2.170 -0.055) 4.804 7.647 ( -0.589 -3.494 -2.031) 4.084 7.791 ( 0.753 -2.168 -1.474) 2.727 8.006 ( 1.433 4.963 -2.054) 5.559 8.080 ( 2.094 3.725 0.184) 4.278 8.237 ( 5.808 1.449 -1.314) 6.128 8.319 ( -3.343 0.644 -0.126) 3.406 8.441 ( 0.537 -4.319 -0.567) 4.389 8.552 ( -2.430 -3.250 -0.051) 4.059 8.687 ( -1.644 4.959 0.495) 5.248 8.825 ( 0.681 0.512 -1.227) 1.494 9.141 ( 0.538 5.918 0.886) 6.008 9.289 ( -1.272 4.068 -0.020) 4.262 9.458 ( 0.098 -5.430 2.760) 6.092 9.603 ( 0.228 -6.108 -1.775) 6.364 9.969 ( -0.265 -4.075 0.110) 4.085 10.004 ( 0.162 -4.490 0.415) 4.512 ======================= Grid point 158 (85/91) ======================= q-point: (-0.40 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 1.117 6.653 -2.506) 7.196 1.836 ( 0.531 1.577 -0.499) 1.737 1.898 ( 0.833 2.466 -1.372) 2.942 2.053 ( -1.873 5.301 -2.451) 6.133 2.082 ( 2.105 4.263 -0.318) 4.765 2.130 ( 0.433 -0.814 -0.649) 1.127 2.192 ( -2.524 6.390 1.667) 7.070 2.251 ( -1.356 2.170 -3.873) 4.642 2.315 ( 5.536 1.208 1.970) 5.999 2.379 ( 0.950 1.802 -2.502) 3.226 2.454 ( -2.259 0.449 0.255) 2.317 2.628 ( 0.711 -2.564 2.683) 3.778 2.743 ( -0.802 -6.676 1.272) 6.843 2.997 ( -1.604 -7.293 0.597) 7.491 3.038 ( -5.837 -2.827 2.931) 7.117 3.168 ( -4.800 -1.891 -0.489) 5.182 3.199 ( 7.535 0.447 0.182) 7.551 3.308 ( 5.073 -1.819 -0.576) 5.420 3.716 ( 0.704 11.031 0.397) 11.061 3.814 ( -0.702 9.955 -0.353) 9.986 3.937 ( -0.548 13.139 -1.612) 13.249 4.106 ( 0.052 3.407 2.253) 4.085 4.404 ( -0.157 11.867 1.813) 12.005 4.411 ( -1.568 11.668 -1.300) 11.845 5.288 ( -0.149 1.740 -0.548) 1.830 5.308 ( 1.754 1.737 0.327) 2.490 5.911 ( -0.876 1.883 1.048) 2.327 5.947 ( 0.104 0.795 -1.220) 1.460 6.191 ( -0.083 7.253 0.914) 7.311 6.413 ( -0.852 1.043 0.591) 1.471 6.515 ( -0.767 2.835 0.873) 3.064 6.553 ( -0.692 0.468 -0.213) 0.862 6.587 ( -2.413 -0.420 -0.874) 2.600 6.628 ( 2.410 -0.039 1.278) 2.728 6.651 ( 1.042 0.356 0.884) 1.413 6.697 ( 1.242 3.801 -2.942) 4.964 6.855 ( 0.924 -2.687 -1.018) 3.018 6.980 ( 1.168 -0.368 -0.622) 1.373 7.158 ( -1.065 -1.348 0.790) 1.891 7.274 ( 0.286 -1.149 2.281) 2.570 7.298 ( -1.519 3.031 1.308) 3.634 7.384 ( 2.583 1.187 -1.888) 3.413 7.453 ( -6.195 3.138 1.537) 7.112 7.525 ( 2.282 1.938 3.141) 4.339 7.625 ( -0.565 -3.089 -0.535) 3.185 7.791 ( 0.212 -2.044 -1.417) 2.496 7.992 ( -1.565 4.438 -0.375) 4.721 8.115 ( 2.301 3.889 -3.189) 5.530 8.222 ( -6.037 1.350 -0.215) 6.190 8.341 ( 4.878 -1.160 -2.073) 5.425 8.449 ( 1.475 -2.269 -1.106) 2.924 8.561 ( 3.288 -3.587 -0.936) 4.955 8.665 ( -1.342 5.097 2.316) 5.757 8.811 ( -1.722 0.549 0.270) 1.827 9.159 ( 0.980 5.617 -0.856) 5.765 9.283 ( 0.657 4.048 0.611) 4.146 9.453 ( -2.485 -5.337 3.003) 6.608 9.608 ( 1.525 -6.128 -2.080) 6.648 9.965 ( -0.239 -3.881 0.420) 3.911 10.006 ( -0.210 -4.536 0.249) 4.548 ======================= Grid point 159 (86/91) ======================= q-point: (-0.20 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( -0.401 6.453 -1.355) 6.606 1.848 ( 0.091 4.622 0.218) 4.628 1.901 ( 0.733 2.891 -2.303) 3.768 1.991 ( -2.654 6.180 -2.892) 7.321 2.117 ( 1.277 -1.765 -0.342) 2.206 2.124 ( 1.135 5.280 -0.973) 5.487 2.196 ( 2.582 3.980 -1.610) 5.010 2.209 ( -0.068 4.948 -2.091) 5.372 2.351 ( -3.248 -1.722 -0.597) 3.724 2.413 ( 1.352 -3.359 2.020) 4.146 2.472 ( 4.343 3.725 1.913) 6.033 2.653 ( 0.022 1.741 -0.251) 1.759 2.761 ( 0.859 -8.597 4.988) 9.977 2.892 ( -4.687 -5.183 -1.348) 7.117 3.019 ( -3.934 -1.159 4.284) 5.931 3.072 ( -2.204 -6.670 -1.951) 7.291 3.346 ( 5.891 1.164 0.273) 6.011 3.401 ( 6.010 -0.906 -1.409) 6.239 3.695 ( -1.694 9.842 -3.466) 10.571 3.749 ( -4.176 8.547 -2.029) 9.727 3.990 ( 4.022 14.321 5.538) 15.872 4.155 ( 2.553 5.365 3.545) 6.919 4.347 ( -3.492 11.497 -2.974) 12.378 4.386 ( -2.456 10.575 0.830) 10.888 5.287 ( 0.372 2.107 -0.747) 2.267 5.348 ( 2.001 1.261 0.063) 2.366 5.896 ( -1.246 1.905 0.823) 2.420 5.938 ( -0.182 -0.004 -0.745) 0.767 6.200 ( -0.015 7.267 1.539) 7.428 6.408 ( 0.047 -0.081 0.270) 0.286 6.505 ( -0.615 2.517 0.303) 2.609 6.525 ( -1.695 -0.486 0.184) 1.773 6.555 ( -0.465 4.172 -0.190) 4.202 6.667 ( -0.371 2.152 2.767) 3.524 6.697 ( 3.227 1.087 -2.408) 4.170 6.716 ( 2.562 -0.144 0.697) 2.659 6.858 ( 0.369 -4.111 -2.036) 4.602 6.981 ( -0.278 0.323 -1.707) 1.759 7.145 ( -0.979 -0.777 0.499) 1.346 7.249 ( -2.991 -2.644 0.183) 3.996 7.311 ( 1.164 4.659 0.504) 4.829 7.356 ( -4.292 4.085 4.330) 7.339 7.433 ( 3.883 -0.207 -3.914) 5.517 7.555 ( -2.253 -0.455 4.683) 5.216 7.632 ( 1.735 -1.321 -0.001) 2.181 7.792 ( 0.902 0.495 -1.100) 1.506 7.967 ( -0.714 1.731 0.074) 1.873 8.085 ( -5.034 0.950 -2.470) 5.687 8.133 ( -0.294 2.901 -1.550) 3.303 8.391 ( 1.908 -4.074 -2.035) 4.938 8.489 ( 2.595 1.542 -1.400) 3.328 8.597 ( 0.587 -2.729 -0.241) 2.802 8.691 ( 2.754 4.193 0.912) 5.098 8.775 ( -2.026 2.239 0.729) 3.106 9.166 ( 0.595 4.121 -1.129) 4.314 9.311 ( 1.312 4.470 0.630) 4.701 9.418 ( -2.948 -5.105 3.343) 6.777 9.623 ( 1.277 -5.863 -2.130) 6.367 9.966 ( -0.022 -4.189 0.745) 4.255 10.000 ( -0.467 -4.838 0.055) 4.861 ======================= Grid point 160 (87/91) ======================= q-point: ( 0.00 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -0.590 2.357 -0.112) 2.432 1.898 ( 0.091 -0.003 -1.333) 1.336 1.961 ( 0.404 2.849 -0.907) 3.017 2.003 ( 0.181 -0.898 -1.382) 1.658 2.162 ( -0.016 5.005 -0.626) 5.044 2.242 ( 1.364 3.898 -1.669) 4.454 2.249 ( -1.086 -1.496 -0.405) 1.892 2.287 ( 1.266 1.011 -1.327) 2.094 2.306 ( 0.077 1.598 0.405) 1.650 2.359 ( 0.249 -2.823 0.881) 2.968 2.592 ( 2.481 1.161 1.969) 3.373 2.639 ( -2.104 0.413 -1.710) 2.743 2.660 ( 0.775 -3.429 0.758) 3.596 2.738 ( -1.035 -6.018 -0.855) 6.166 2.922 ( -1.467 0.649 2.836) 3.258 2.970 ( -0.265 -4.051 3.371) 5.277 3.429 ( 0.586 1.525 -1.796) 2.428 3.456 ( 1.711 -1.330 -1.703) 2.756 3.786 ( -2.011 3.680 0.287) 4.204 3.792 ( -1.159 3.029 -0.271) 3.255 4.305 ( 3.320 4.916 1.487) 6.116 4.324 ( 2.481 2.661 0.237) 3.646 4.441 ( -2.949 6.232 -0.224) 6.898 4.476 ( -1.953 2.784 0.995) 3.543 5.336 ( -0.028 2.381 -0.211) 2.390 5.372 ( -0.007 -0.915 -0.018) 0.915 5.910 ( -0.379 1.120 0.792) 1.423 5.929 ( 0.384 -0.566 -0.808) 1.058 6.341 ( -0.176 4.604 2.096) 5.062 6.394 ( 0.614 -1.077 -2.163) 2.493 6.505 ( 0.276 3.114 -0.129) 3.129 6.583 ( 0.172 -0.332 0.416) 0.559 6.642 ( -0.061 4.373 0.296) 4.383 6.675 ( -1.223 0.058 0.802) 1.464 6.707 ( 1.552 -3.967 -0.436) 4.283 6.730 ( -0.937 -3.834 -0.367) 3.964 6.837 ( 0.795 7.119 0.219) 7.167 6.955 ( -0.853 -2.518 0.032) 2.659 7.114 ( -0.291 -0.856 0.157) 0.918 7.136 ( 0.053 -4.057 0.256) 4.065 7.367 ( -2.242 1.339 2.847) 3.863 7.387 ( -2.637 -0.241 1.479) 3.033 7.468 ( 2.264 4.622 -1.506) 5.362 7.549 ( 2.290 -2.807 -0.017) 3.623 7.670 ( 0.247 2.814 -0.075) 2.825 7.754 ( 0.139 -4.884 -0.167) 4.889 8.000 ( 0.326 2.376 -0.478) 2.446 8.024 ( -0.556 0.287 0.004) 0.625 8.202 ( 0.744 4.045 -2.941) 5.056 8.294 ( 0.661 -5.056 -2.904) 5.868 8.518 ( -1.512 1.561 0.810) 2.319 8.558 ( 0.141 -2.440 -0.797) 2.571 8.799 ( 0.489 2.926 0.800) 3.072 8.823 ( 1.179 0.697 -0.325) 1.407 9.230 ( -0.710 3.449 0.909) 3.637 9.305 ( -0.615 -3.997 1.690) 4.383 9.425 ( 0.096 4.540 -0.085) 4.542 9.520 ( 0.210 -4.917 -1.066) 5.036 9.915 ( -0.015 -1.247 0.344) 1.294 9.922 ( -0.193 -1.940 0.158) 1.956 ======================= Grid point 161 (88/91) ======================= q-point: ( 0.20 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -0.749 2.131 -0.454) 2.304 1.882 ( -0.805 -0.536 -1.001) 1.392 1.965 ( 0.565 3.158 -0.804) 3.307 2.011 ( 1.192 -0.936 -0.504) 1.597 2.153 ( -0.346 4.244 -0.428) 4.280 2.211 ( -1.848 -0.146 -0.611) 1.952 2.252 ( 0.776 4.274 -1.247) 4.520 2.290 ( -0.608 2.757 0.607) 2.888 2.332 ( 2.723 -1.719 -1.927) 3.753 2.361 ( -0.297 -3.229 0.029) 3.243 2.578 ( -2.695 2.790 -2.274) 4.496 2.649 ( 0.070 -1.455 0.687) 1.611 2.664 ( 0.311 -2.019 -0.267) 2.060 2.741 ( 1.840 -5.702 2.157) 6.368 2.953 ( 1.650 -0.137 3.651) 4.009 2.999 ( 1.696 -4.020 2.358) 4.959 3.370 ( -4.711 2.099 -1.979) 5.524 3.404 ( -4.336 -1.243 -4.127) 6.114 3.788 ( 1.008 4.693 3.297) 5.823 3.817 ( 2.192 1.793 2.707) 3.917 4.279 ( -3.367 4.477 -4.276) 7.048 4.292 ( -3.300 2.705 -2.839) 5.125 4.480 ( 3.773 6.313 3.276) 8.051 4.513 ( 3.117 3.002 2.642) 5.070 5.327 ( -0.759 2.160 -0.005) 2.289 5.356 ( -1.436 -0.586 0.020) 1.551 5.920 ( 0.769 1.274 0.750) 1.666 5.940 ( 1.259 -0.548 -0.861) 1.621 6.345 ( -0.662 5.077 1.291) 5.280 6.396 ( 1.133 -1.111 -2.059) 2.599 6.519 ( 1.312 1.800 -0.600) 2.307 6.578 ( -0.895 -0.970 0.101) 1.324 6.631 ( -1.260 3.134 0.323) 3.393 6.658 ( -1.050 0.988 1.496) 2.078 6.689 ( -2.273 -1.934 -0.894) 3.116 6.732 ( 0.637 -2.983 0.243) 3.060 6.853 ( 0.979 5.127 -1.373) 5.397 6.937 ( -1.257 -1.680 1.377) 2.510 7.123 ( 0.879 -0.675 0.857) 1.401 7.152 ( 1.284 -4.245 0.338) 4.448 7.355 ( -1.273 0.723 3.095) 3.423 7.360 ( -0.832 0.880 1.623) 2.025 7.498 ( 1.412 4.199 -0.993) 4.540 7.582 ( 1.034 -3.772 -1.519) 4.196 7.658 ( -1.141 3.128 -0.314) 3.345 7.738 ( -1.093 -4.239 -0.265) 4.386 8.036 ( 4.126 2.811 -1.727) 5.283 8.066 ( 4.409 0.291 -0.096) 4.419 8.205 ( 1.273 3.350 -1.844) 4.030 8.290 ( 0.582 -4.939 -2.144) 5.415 8.477 ( -3.371 2.595 1.413) 4.482 8.536 ( -2.412 -3.176 0.224) 3.995 8.799 ( -0.747 3.040 -0.067) 3.131 8.830 ( 0.196 -0.026 -1.241) 1.256 9.231 ( 0.264 4.472 1.168) 4.630 9.322 ( 1.140 -4.514 1.544) 4.905 9.410 ( -1.433 4.486 -0.121) 4.711 9.507 ( -0.844 -5.068 -0.781) 5.197 9.917 ( 0.131 -1.064 0.205) 1.091 9.928 ( 0.457 -2.002 0.376) 2.087 ======================= Grid point 162 (89/91) ======================= q-point: ( 0.40 0.46 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 0.521 1.204 -1.483) 1.980 1.863 ( 0.027 -0.264 -1.859) 1.878 1.971 ( 0.449 3.844 -0.495) 3.901 2.034 ( 1.204 -2.343 -0.097) 2.636 2.147 ( 0.031 3.548 -0.394) 3.570 2.186 ( -0.320 0.475 -1.141) 1.277 2.264 ( 0.938 2.617 0.214) 2.788 2.283 ( -0.393 1.989 0.574) 2.107 2.344 ( -0.094 -0.630 -0.949) 1.144 2.386 ( 2.797 -1.152 -0.806) 3.130 2.505 ( -3.273 2.143 -1.069) 4.056 2.569 ( -5.125 -4.682 -1.549) 7.113 2.706 ( 1.492 2.911 1.313) 3.525 2.811 ( 2.713 -6.854 2.242) 7.705 3.001 ( 0.987 0.324 3.373) 3.529 3.070 ( 3.204 -5.295 2.738) 6.768 3.261 ( -4.832 1.962 -1.421) 5.405 3.289 ( -3.695 -0.560 -4.462) 5.820 3.845 ( 2.083 5.329 3.614) 6.768 3.887 ( 2.738 1.340 3.078) 4.332 4.187 ( -3.002 5.159 -4.253) 7.329 4.210 ( -3.011 2.406 -2.472) 4.579 4.556 ( 2.008 5.494 2.177) 6.241 4.574 ( 1.517 3.699 1.363) 4.224 5.317 ( -0.153 1.443 0.080) 1.453 5.331 ( -1.030 0.165 0.048) 1.044 5.939 ( 0.499 1.235 0.611) 1.466 5.956 ( 0.813 -0.267 -0.886) 1.232 6.334 ( -0.937 5.658 0.605) 5.767 6.408 ( 1.098 -1.969 -1.357) 2.631 6.538 ( 0.917 0.445 -0.571) 1.168 6.556 ( -1.317 -0.727 0.191) 1.516 6.614 ( -0.403 1.897 0.530) 2.011 6.641 ( -1.585 -0.848 -0.551) 1.881 6.659 ( -0.213 3.206 1.192) 3.427 6.740 ( 0.248 -3.302 0.056) 3.312 6.851 ( -0.241 4.617 -1.076) 4.747 6.933 ( 0.042 -2.453 0.813) 2.584 7.143 ( 0.373 -0.276 0.555) 0.723 7.181 ( 0.783 -4.025 1.460) 4.352 7.359 ( 0.162 1.779 1.701) 2.467 7.372 ( 1.013 0.442 0.526) 1.224 7.503 ( -0.467 2.143 0.293) 2.212 7.564 ( -1.330 -3.721 -1.533) 4.239 7.636 ( -1.166 4.522 0.505) 4.697 7.725 ( -0.453 -4.068 0.499) 4.123 8.109 ( 3.950 4.454 -3.400) 6.856 8.142 ( 3.340 1.769 -1.810) 4.190 8.238 ( 3.557 -0.313 -0.909) 3.685 8.279 ( -1.150 -3.753 -0.878) 4.022 8.428 ( -1.779 2.166 0.594) 2.865 8.483 ( -2.345 -3.151 0.238) 3.935 8.777 ( -1.514 3.444 0.510) 3.797 8.821 ( -0.571 -1.069 -0.105) 1.217 9.252 ( 1.016 5.186 0.532) 5.311 9.353 ( 0.744 -4.994 1.198) 5.189 9.380 ( -1.290 4.934 -0.002) 5.100 9.486 ( -0.525 -5.542 -0.665) 5.606 9.922 ( 0.071 -0.658 0.252) 0.708 9.938 ( 0.225 -2.126 0.368) 2.170 ======================= Grid point 163 (90/91) ======================= q-point: (-0.40 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 1.403 0.944 -2.033) 2.644 1.869 ( 2.014 0.020 -2.435) 3.160 1.971 ( -0.083 4.056 -0.531) 4.091 2.043 ( -0.094 -3.245 -0.904) 3.370 2.151 ( 0.814 3.523 -0.955) 3.740 2.182 ( 0.929 1.500 -1.024) 2.040 2.274 ( -0.563 1.308 0.515) 1.514 2.285 ( 0.557 0.324 -0.692) 0.946 2.335 ( -0.678 2.819 -0.154) 2.904 2.388 ( -2.546 -0.677 -1.261) 2.921 2.479 ( 0.332 1.013 1.461) 1.809 2.526 ( 1.972 -5.070 3.084) 6.254 2.724 ( 0.033 3.507 -0.369) 3.526 2.838 ( -0.692 -7.391 -0.322) 7.431 3.000 ( -3.518 0.854 2.592) 4.453 3.077 ( -4.509 -5.586 0.954) 7.242 3.244 ( 4.298 2.122 0.438) 4.814 3.275 ( 4.516 -1.192 -1.029) 4.783 3.882 ( -0.087 5.296 -0.229) 5.302 3.924 ( -0.666 1.321 -0.748) 1.658 4.140 ( 0.498 6.194 0.079) 6.214 4.178 ( 0.838 2.034 0.758) 2.327 4.575 ( -1.192 4.722 0.740) 4.926 4.580 ( -1.330 4.309 0.311) 4.520 5.320 ( 0.363 1.222 -0.224) 1.294 5.330 ( 1.027 0.308 0.127) 1.079 5.940 ( -0.766 1.099 0.579) 1.460 5.955 ( -0.353 -0.174 -0.863) 0.949 6.325 ( -0.527 5.639 1.202) 5.790 6.411 ( 0.103 -2.395 -1.363) 2.758 6.528 ( -1.377 1.020 0.429) 1.766 6.555 ( 0.602 0.048 0.278) 0.665 6.623 ( 0.022 1.131 -0.327) 1.177 6.628 ( 1.507 0.392 0.577) 1.660 6.670 ( 0.704 2.206 0.368) 2.344 6.744 ( 0.239 -3.653 -0.484) 3.692 6.839 ( -0.616 5.305 0.106) 5.342 6.945 ( 0.983 -3.629 -0.226) 3.767 7.139 ( -1.089 0.201 0.652) 1.285 7.186 ( -1.253 -4.392 1.064) 4.689 7.376 ( 0.805 2.675 0.179) 2.799 7.400 ( 2.233 0.194 -1.704) 2.816 7.488 ( -2.103 1.359 1.683) 3.017 7.533 ( -1.571 -2.727 1.215) 3.374 7.628 ( 0.134 4.421 0.859) 4.505 7.722 ( -0.254 -4.348 0.766) 4.422 8.093 ( -2.841 4.961 -1.273) 5.857 8.167 ( -0.432 -0.833 -4.128) 4.233 8.227 ( -2.352 1.578 -0.075) 2.833 8.292 ( 2.180 -3.516 -2.249) 4.709 8.445 ( 3.580 1.717 -1.053) 4.108 8.494 ( 3.308 -2.914 -0.745) 4.471 8.759 ( -1.005 3.686 2.124) 4.371 8.808 ( -1.183 -1.174 1.309) 2.119 9.260 ( -0.444 4.634 -0.243) 4.662 9.352 ( -1.566 -4.445 1.402) 4.917 9.379 ( 1.043 5.009 0.058) 5.117 9.490 ( 1.341 -5.726 -0.916) 5.952 9.921 ( -0.295 -0.558 0.286) 0.693 9.939 ( -0.341 -2.163 0.272) 2.207 ======================= Grid point 164 (91/91) ======================= q-point: (-0.20 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 1.322 1.758 -1.507) 2.666 1.892 ( 1.666 -0.056 -2.085) 2.669 1.963 ( -0.150 3.365 -0.716) 3.443 2.022 ( -0.989 -2.354 -1.484) 2.953 2.159 ( 0.744 5.207 -1.111) 5.376 2.212 ( 2.651 2.043 -1.251) 3.573 2.257 ( -0.459 1.616 -0.896) 1.904 2.289 ( 0.090 1.454 -0.463) 1.528 2.317 ( -1.726 -1.076 0.058) 2.035 2.347 ( -0.213 -1.815 1.503) 2.367 2.531 ( 2.626 2.334 2.429) 4.271 2.602 ( 2.684 -5.525 3.632) 7.136 2.703 ( -1.551 2.832 -2.075) 3.838 2.784 ( -3.068 -4.985 -2.198) 6.253 2.963 ( -1.848 -2.106 2.859) 4.003 2.980 ( -5.279 -2.862 1.752) 6.255 3.363 ( 6.152 0.719 1.115) 6.294 3.378 ( 5.930 -0.883 -0.666) 6.033 3.840 ( -2.578 4.306 -2.806) 5.750 3.861 ( -3.716 2.297 -2.649) 5.109 4.204 ( 4.151 6.283 3.498) 8.303 4.242 ( 3.932 2.067 2.672) 5.184 4.522 ( -3.842 5.059 -1.034) 6.437 4.536 ( -3.444 3.677 0.075) 5.038 5.330 ( 0.757 1.950 -0.307) 2.115 5.357 ( 1.431 -0.509 0.005) 1.519 5.923 ( -1.298 0.995 0.700) 1.779 5.937 ( -0.648 -0.323 -0.828) 1.100 6.330 ( -0.156 4.951 1.978) 5.334 6.400 ( 0.014 -1.890 -1.699) 2.541 6.510 ( -0.721 3.044 0.246) 3.138 6.570 ( 0.646 0.358 0.750) 1.052 6.632 ( 0.728 2.680 0.145) 2.781 6.670 ( 2.196 -2.508 0.598) 3.387 6.682 ( 0.309 0.969 -0.137) 1.026 6.741 ( 0.021 -3.942 -0.977) 4.061 6.831 ( -0.464 6.762 0.821) 6.828 6.960 ( 0.607 -3.827 -0.601) 3.921 7.121 ( -0.951 -0.558 0.779) 1.350 7.156 ( -1.867 -4.078 -0.048) 4.485 7.386 ( 0.128 2.596 -0.650) 2.680 7.422 ( 0.450 -1.016 -2.603) 2.831 7.450 ( -1.874 4.326 2.791) 5.479 7.523 ( -1.087 -2.816 3.697) 4.772 7.651 ( 1.510 3.153 0.227) 3.503 7.735 ( 1.373 -4.520 -0.001) 4.724 8.028 ( -2.780 3.533 -0.504) 4.524 8.082 ( -4.659 -1.456 -0.930) 4.969 8.211 ( 0.556 4.209 -3.059) 5.233 8.300 ( 0.860 -4.650 -3.061) 5.633 8.509 ( 3.000 1.258 -1.448) 3.561 8.545 ( 1.945 -2.263 -0.889) 3.114 8.773 ( 0.886 3.087 2.199) 3.892 8.803 ( -0.028 0.111 1.518) 1.522 9.243 ( -0.966 3.767 0.061) 3.889 9.323 ( -2.151 -4.272 1.536) 5.023 9.408 ( 1.562 4.994 0.019) 5.232 9.511 ( 1.380 -5.295 -1.139) 5.589 9.916 ( -0.362 -0.829 0.330) 0.963 9.930 ( -0.619 -2.131 0.157) 2.225 =================== 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 3/19500 10.0 524.637 696.389 586.156 0.000 78.221 0.000 3/19500 20.0 97.584 174.530 121.377 0.000 12.899 0.000 3/19500 30.0 42.730 85.540 55.462 0.000 5.212 0.000 3/19500 40.0 25.809 54.237 34.127 0.000 3.102 0.000 3/19500 50.0 17.878 38.340 23.818 0.000 2.155 0.000 3/19500 60.0 13.348 28.835 17.812 0.000 1.615 0.000 3/19500 70.0 10.482 22.685 13.973 0.000 1.270 0.000 3/19500 80.0 8.547 18.497 11.371 0.000 1.035 0.000 3/19500 90.0 7.178 15.523 9.528 0.000 0.867 0.000 3/19500 100.0 6.171 13.335 8.173 0.000 0.743 0.000 3/19500 110.0 5.405 11.673 7.145 0.000 0.649 0.000 3/19500 120.0 4.806 10.376 6.342 0.000 0.575 0.000 3/19500 130.0 4.327 9.339 5.701 0.000 0.515 0.000 3/19500 140.0 3.935 8.493 5.179 0.000 0.467 0.000 3/19500 150.0 3.610 7.791 4.745 0.000 0.427 0.000 3/19500 160.0 3.335 7.199 4.380 0.000 0.393 0.000 3/19500 170.0 3.100 6.693 4.068 0.000 0.364 0.000 3/19500 180.0 2.897 6.256 3.799 0.000 0.339 0.000 3/19500 190.0 2.720 5.874 3.564 0.000 0.318 0.000 3/19500 200.0 2.563 5.538 3.358 0.000 0.299 0.000 3/19500 210.0 2.425 5.239 3.175 0.000 0.282 0.000 3/19500 220.0 2.301 4.972 3.011 0.000 0.267 0.000 3/19500 230.0 2.189 4.732 2.864 0.000 0.253 0.000 3/19500 240.0 2.088 4.515 2.731 0.000 0.241 0.000 3/19500 250.0 1.996 4.317 2.610 0.000 0.230 0.000 3/19500 260.0 1.913 4.137 2.500 0.000 0.220 0.000 3/19500 270.0 1.836 3.971 2.399 0.000 0.211 0.000 3/19500 280.0 1.765 3.818 2.306 0.000 0.203 0.000 3/19500 290.0 1.699 3.677 2.220 0.000 0.195 0.000 3/19500 300.0 1.639 3.547 2.140 0.000 0.188 0.000 3/19500 310.0 1.583 3.425 2.067 0.000 0.181 0.000 3/19500 320.0 1.530 3.312 1.998 0.000 0.175 0.000 3/19500 330.0 1.481 3.206 1.933 0.000 0.169 0.000 3/19500 340.0 1.435 3.107 1.873 0.000 0.164 0.000 3/19500 350.0 1.392 3.014 1.817 0.000 0.159 0.000 3/19500 360.0 1.351 2.927 1.764 0.000 0.154 0.000 3/19500 370.0 1.313 2.844 1.714 0.000 0.150 0.000 3/19500 380.0 1.277 2.766 1.666 0.000 0.145 0.000 3/19500 390.0 1.243 2.693 1.622 0.000 0.141 0.000 3/19500 400.0 1.211 2.623 1.579 0.000 0.138 0.000 3/19500 410.0 1.180 2.557 1.539 0.000 0.134 0.000 3/19500 420.0 1.151 2.494 1.501 0.000 0.131 0.000 3/19500 430.0 1.123 2.434 1.465 0.000 0.128 0.000 3/19500 440.0 1.097 2.377 1.431 0.000 0.124 0.000 3/19500 450.0 1.072 2.323 1.398 0.000 0.122 0.000 3/19500 460.0 1.048 2.271 1.366 0.000 0.119 0.000 3/19500 470.0 1.025 2.221 1.336 0.000 0.116 0.000 3/19500 480.0 1.003 2.174 1.308 0.000 0.114 0.000 3/19500 490.0 0.982 2.128 1.280 0.000 0.111 0.000 3/19500 500.0 0.962 2.085 1.254 0.000 0.109 0.000 3/19500 510.0 0.942 2.043 1.229 0.000 0.107 0.000 3/19500 520.0 0.924 2.003 1.205 0.000 0.105 0.000 3/19500 530.0 0.906 1.964 1.181 0.000 0.103 0.000 3/19500 540.0 0.889 1.927 1.159 0.000 0.101 0.000 3/19500 550.0 0.872 1.892 1.137 0.000 0.099 0.000 3/19500 560.0 0.856 1.857 1.117 0.000 0.097 0.000 3/19500 570.0 0.841 1.824 1.097 0.000 0.095 0.000 3/19500 580.0 0.826 1.792 1.077 0.000 0.093 0.000 3/19500 590.0 0.812 1.761 1.059 0.000 0.092 0.000 3/19500 600.0 0.798 1.731 1.041 0.000 0.090 0.000 3/19500 610.0 0.785 1.703 1.023 0.000 0.089 0.000 3/19500 620.0 0.772 1.675 1.007 0.000 0.087 0.000 3/19500 630.0 0.760 1.648 0.990 0.000 0.086 0.000 3/19500 640.0 0.748 1.622 0.975 0.000 0.084 0.000 3/19500 650.0 0.736 1.596 0.959 0.000 0.083 0.000 3/19500 660.0 0.725 1.572 0.945 0.000 0.082 0.000 3/19500 670.0 0.714 1.548 0.930 0.000 0.081 0.000 3/19500 680.0 0.703 1.525 0.916 0.000 0.079 0.000 3/19500 690.0 0.693 1.503 0.903 0.000 0.078 0.000 3/19500 700.0 0.683 1.481 0.890 0.000 0.077 0.000 3/19500 710.0 0.673 1.460 0.877 0.000 0.076 0.000 3/19500 720.0 0.664 1.440 0.865 0.000 0.075 0.000 3/19500 730.0 0.654 1.420 0.853 0.000 0.074 0.000 3/19500 740.0 0.645 1.400 0.841 0.000 0.073 0.000 3/19500 750.0 0.637 1.381 0.830 0.000 0.072 0.000 3/19500 760.0 0.628 1.363 0.819 0.000 0.071 0.000 3/19500 770.0 0.620 1.345 0.808 0.000 0.070 0.000 3/19500 780.0 0.612 1.328 0.798 0.000 0.069 0.000 3/19500 790.0 0.604 1.311 0.787 0.000 0.068 0.000 3/19500 800.0 0.597 1.294 0.777 0.000 0.067 0.000 3/19500 810.0 0.589 1.278 0.768 0.000 0.066 0.000 3/19500 820.0 0.582 1.262 0.758 0.000 0.066 0.000 3/19500 830.0 0.575 1.247 0.749 0.000 0.065 0.000 3/19500 840.0 0.568 1.232 0.740 0.000 0.064 0.000 3/19500 850.0 0.561 1.218 0.731 0.000 0.063 0.000 3/19500 860.0 0.555 1.203 0.723 0.000 0.062 0.000 3/19500 870.0 0.548 1.189 0.714 0.000 0.062 0.000 3/19500 880.0 0.542 1.176 0.706 0.000 0.061 0.000 3/19500 890.0 0.536 1.163 0.698 0.000 0.060 0.000 3/19500 900.0 0.530 1.150 0.690 0.000 0.060 0.000 3/19500 910.0 0.524 1.137 0.683 0.000 0.059 0.000 3/19500 920.0 0.518 1.124 0.675 0.000 0.058 0.000 3/19500 930.0 0.512 1.112 0.668 0.000 0.058 0.000 3/19500 940.0 0.507 1.100 0.661 0.000 0.057 0.000 3/19500 950.0 0.502 1.089 0.654 0.000 0.056 0.000 3/19500 960.0 0.496 1.077 0.647 0.000 0.056 0.000 3/19500 970.0 0.491 1.066 0.640 0.000 0.055 0.000 3/19500 980.0 0.486 1.055 0.634 0.000 0.055 0.000 3/19500 990.0 0.481 1.044 0.627 0.000 0.054 0.000 3/19500 1000.0 0.476 1.034 0.621 0.000 0.054 0.000 3/19500 Thermal conductivity related properties were written into "kappa-m5135.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:10:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|