----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:08:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.319446745594896 -2.966590510000000 0.000000000000000 b 7.319446745594896 2.966590510000000 0.000000000000000 c -3.121319756475349 0.000000000000000 7.195033276155378 Atomic positions (fractional): *1 O 0.67402111830292 0.11488314520852 0.98702897772192 15.999 2 O 0.88511685479148 0.32597888169708 0.51297102227808 15.999 3 O 0.32597888169708 0.88511685479148 0.01297102227808 15.999 4 O 0.11488314520852 0.67402111830292 0.48702897772192 15.999 *5 O 0.29206785246531 0.93203271507901 0.69036623923638 15.999 6 O 0.06796728492099 0.70793214753468 0.80963376076362 15.999 7 O 0.70793214753469 0.06796728492099 0.30963376076362 15.999 8 O 0.93203271507901 0.29206785246532 0.19036623923638 15.999 *9 O 0.47346500082790 0.52653499917210 0.75000000000000 15.999 10 O 0.52653499917210 0.47346500082790 0.25000000000000 15.999 *11 O 0.67411309183296 0.70259899636140 0.39272598396641 15.999 12 O 0.29740100363860 0.32588690816704 0.10727401603359 15.999 13 O 0.32588690816704 0.29740100363860 0.60727401603359 15.999 14 O 0.70259899636140 0.67411309183296 0.89272598396641 15.999 *15 Na 0.64032521657081 0.90942051920765 0.69767618645360 22.990 16 Na 0.09057948079235 0.35967478342919 0.80232381354640 22.990 17 Na 0.35967478342919 0.09057948079235 0.30232381354640 22.990 18 Na 0.90942051920765 0.64032521657081 0.19767618645360 22.990 *19 P 0.23837799092124 0.55037938654960 0.66005098263551 30.974 20 P 0.44962061345040 0.76162200907876 0.83994901736449 30.974 21 P 0.76162200907876 0.44962061345040 0.33994901736449 30.974 22 P 0.55037938654960 0.23837799092124 0.16005098263551 30.974 *23 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 24 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 -------------------------------- unit cell --------------------------------- Lattice vectors: a 14.638893491189792 0.000000000000000 0.000000000000000 b 0.000000000000000 5.933181020000000 0.000000000000000 c -3.121319756475349 0.000000000000000 7.195033276155378 Atomic positions (fractional): *1 O 0.89445213175572 0.22043101345280 0.98702897772192 15.999 > 1 2 O 0.60554786824428 0.72043101345280 0.51297102227808 15.999 > 2 3 O 0.60554786824428 0.27956898654720 0.01297102227808 15.999 > 3 4 O 0.89445213175572 0.77956898654720 0.48702897772192 15.999 > 4 *5 O 0.61205028377216 0.31998243130685 0.69036623923638 15.999 > 5 6 O 0.88794971622784 0.81998243130685 0.80963376076362 15.999 > 6 7 O 0.88794971622784 0.18001756869315 0.30963376076362 15.999 > 7 8 O 0.61205028377216 0.68001756869315 0.19036623923638 15.999 > 8 *9 O 0.00000000000000 0.52653499917210 0.75000000000000 15.999 > 9 10 O 0.00000000000000 0.47346500082790 0.25000000000000 15.999 > 10 *11 O 0.68835604409718 0.01424295226422 0.39272598396641 15.999 > 11 12 O 0.81164395590282 0.51424295226422 0.10727401603359 15.999 > 12 13 O 0.81164395590282 0.48575704773578 0.60727401603359 15.999 > 13 14 O 0.68835604409718 0.98575704773578 0.89272598396641 15.999 > 14 15 O 0.39445213175572 0.72043101345280 0.98702897772192 15.999 > 1 16 O 0.10554786824428 0.22043101345280 0.51297102227808 15.999 > 2 17 O 0.10554786824428 0.77956898654720 0.01297102227808 15.999 > 3 18 O 0.39445213175572 0.27956898654720 0.48702897772192 15.999 > 4 19 O 0.11205028377216 0.81998243130685 0.69036623923638 15.999 > 5 20 O 0.38794971622784 0.31998243130685 0.80963376076362 15.999 > 6 21 O 0.38794971622784 0.68001756869315 0.30963376076362 15.999 > 7 22 O 0.11205028377216 0.18001756869315 0.19036623923638 15.999 > 8 23 O 0.50000000000000 0.02653499917210 0.75000000000000 15.999 > 9 24 O 0.50000000000000 0.97346500082790 0.25000000000000 15.999 > 10 25 O 0.18835604409718 0.51424295226422 0.39272598396641 15.999 > 11 26 O 0.31164395590282 0.01424295226422 0.10727401603359 15.999 > 12 27 O 0.31164395590282 0.98575704773578 0.60727401603359 15.999 > 13 28 O 0.18835604409718 0.48575704773578 0.89272598396641 15.999 > 14 *29 Na 0.77487286788923 0.13454765131842 0.69767618645360 22.990 > 15 30 Na 0.72512713211077 0.63454765131842 0.80232381354640 22.990 > 16 31 Na 0.72512713211077 0.36545234868158 0.30232381354640 22.990 > 17 32 Na 0.77487286788923 0.86545234868158 0.19767618645360 22.990 > 18 33 Na 0.27487286788923 0.63454765131842 0.69767618645360 22.990 > 15 34 Na 0.22512713211077 0.13454765131842 0.80232381354640 22.990 > 16 35 Na 0.22512713211077 0.86545234868158 0.30232381354640 22.990 > 17 36 Na 0.27487286788923 0.36545234868158 0.19767618645360 22.990 > 18 *37 P 0.89437868873542 0.65600069781418 0.66005098263551 30.974 > 19 38 P 0.60562131126458 0.15600069781418 0.83994901736449 30.974 > 20 39 P 0.60562131126458 0.84399930218582 0.33994901736449 30.974 > 21 40 P 0.89437868873542 0.34399930218582 0.16005098263551 30.974 > 22 41 P 0.39437868873542 0.15600069781418 0.66005098263551 30.974 > 19 42 P 0.10562131126458 0.65600069781418 0.83994901736449 30.974 > 20 43 P 0.10562131126458 0.34399930218582 0.33994901736449 30.974 > 21 44 P 0.39437868873542 0.84399930218582 0.16005098263551 30.974 > 22 *45 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 > 23 46 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 24 47 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 > 23 48 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.638893491189792 0.000000000000000 0.000000000000000 b 0.000000000000000 11.866362040000000 0.000000000000000 c -3.121319756475349 0.000000000000000 7.195033276155378 Atomic positions (fractional): *1 O 0.89445213175572 0.11021550672640 0.98702897772192 15.999 > 1 2 O 0.89445213175572 0.61021550672640 0.98702897772192 15.999 > 1 3 O 0.60554786824428 0.36021550672640 0.51297102227808 15.999 > 2 4 O 0.60554786824428 0.86021550672640 0.51297102227808 15.999 > 2 5 O 0.60554786824428 0.13978449327360 0.01297102227808 15.999 > 3 6 O 0.60554786824428 0.63978449327360 0.01297102227808 15.999 > 3 7 O 0.89445213175572 0.38978449327360 0.48702897772192 15.999 > 4 8 O 0.89445213175572 0.88978449327360 0.48702897772192 15.999 > 4 *9 O 0.61205028377216 0.15999121565342 0.69036623923638 15.999 > 5 10 O 0.61205028377216 0.65999121565342 0.69036623923638 15.999 > 5 11 O 0.88794971622784 0.40999121565342 0.80963376076362 15.999 > 6 12 O 0.88794971622784 0.90999121565342 0.80963376076362 15.999 > 6 13 O 0.88794971622784 0.09000878434658 0.30963376076362 15.999 > 7 14 O 0.88794971622784 0.59000878434658 0.30963376076362 15.999 > 7 15 O 0.61205028377216 0.34000878434658 0.19036623923638 15.999 > 8 16 O 0.61205028377216 0.84000878434658 0.19036623923638 15.999 > 8 *17 O 0.00000000000000 0.26326749958605 0.75000000000000 15.999 > 9 18 O 0.00000000000000 0.76326749958605 0.75000000000000 15.999 > 9 19 O 0.00000000000000 0.23673250041395 0.25000000000000 15.999 > 10 20 O 0.00000000000000 0.73673250041395 0.25000000000000 15.999 > 10 *21 O 0.68835604409718 0.00712147613211 0.39272598396641 15.999 > 11 22 O 0.68835604409718 0.50712147613211 0.39272598396641 15.999 > 11 23 O 0.81164395590282 0.25712147613211 0.10727401603359 15.999 > 12 24 O 0.81164395590282 0.75712147613211 0.10727401603359 15.999 > 12 25 O 0.81164395590282 0.24287852386789 0.60727401603359 15.999 > 13 26 O 0.81164395590282 0.74287852386789 0.60727401603359 15.999 > 13 27 O 0.68835604409718 0.49287852386789 0.89272598396641 15.999 > 14 28 O 0.68835604409718 0.99287852386789 0.89272598396641 15.999 > 14 29 O 0.39445213175572 0.36021550672640 0.98702897772192 15.999 > 1 30 O 0.39445213175572 0.86021550672640 0.98702897772192 15.999 > 1 31 O 0.10554786824428 0.11021550672640 0.51297102227808 15.999 > 2 32 O 0.10554786824428 0.61021550672640 0.51297102227808 15.999 > 2 33 O 0.10554786824428 0.38978449327360 0.01297102227808 15.999 > 3 34 O 0.10554786824428 0.88978449327360 0.01297102227808 15.999 > 3 35 O 0.39445213175572 0.13978449327360 0.48702897772192 15.999 > 4 36 O 0.39445213175572 0.63978449327360 0.48702897772192 15.999 > 4 37 O 0.11205028377216 0.40999121565342 0.69036623923638 15.999 > 5 38 O 0.11205028377216 0.90999121565342 0.69036623923638 15.999 > 5 39 O 0.38794971622784 0.15999121565342 0.80963376076362 15.999 > 6 40 O 0.38794971622784 0.65999121565342 0.80963376076362 15.999 > 6 41 O 0.38794971622784 0.34000878434658 0.30963376076362 15.999 > 7 42 O 0.38794971622784 0.84000878434658 0.30963376076362 15.999 > 7 43 O 0.11205028377216 0.09000878434658 0.19036623923638 15.999 > 8 44 O 0.11205028377216 0.59000878434658 0.19036623923638 15.999 > 8 45 O 0.50000000000000 0.01326749958605 0.75000000000000 15.999 > 9 46 O 0.50000000000000 0.51326749958605 0.75000000000000 15.999 > 9 47 O 0.50000000000000 0.48673250041395 0.25000000000000 15.999 > 10 48 O 0.50000000000000 0.98673250041395 0.25000000000000 15.999 > 10 49 O 0.18835604409718 0.25712147613211 0.39272598396641 15.999 > 11 50 O 0.18835604409718 0.75712147613211 0.39272598396641 15.999 > 11 51 O 0.31164395590282 0.00712147613211 0.10727401603359 15.999 > 12 52 O 0.31164395590282 0.50712147613211 0.10727401603359 15.999 > 12 53 O 0.31164395590282 0.49287852386789 0.60727401603359 15.999 > 13 54 O 0.31164395590282 0.99287852386789 0.60727401603359 15.999 > 13 55 O 0.18835604409718 0.24287852386789 0.89272598396641 15.999 > 14 56 O 0.18835604409718 0.74287852386789 0.89272598396641 15.999 > 14 *57 Na 0.77487286788923 0.06727382565921 0.69767618645360 22.990 > 15 58 Na 0.77487286788923 0.56727382565921 0.69767618645360 22.990 > 15 59 Na 0.72512713211077 0.31727382565921 0.80232381354640 22.990 > 16 60 Na 0.72512713211077 0.81727382565921 0.80232381354640 22.990 > 16 61 Na 0.72512713211077 0.18272617434079 0.30232381354640 22.990 > 17 62 Na 0.72512713211077 0.68272617434079 0.30232381354640 22.990 > 17 63 Na 0.77487286788923 0.43272617434079 0.19767618645360 22.990 > 18 64 Na 0.77487286788923 0.93272617434079 0.19767618645360 22.990 > 18 65 Na 0.27487286788923 0.31727382565921 0.69767618645360 22.990 > 15 66 Na 0.27487286788923 0.81727382565921 0.69767618645360 22.990 > 15 67 Na 0.22512713211077 0.06727382565921 0.80232381354640 22.990 > 16 68 Na 0.22512713211077 0.56727382565921 0.80232381354640 22.990 > 16 69 Na 0.22512713211077 0.43272617434079 0.30232381354640 22.990 > 17 70 Na 0.22512713211077 0.93272617434079 0.30232381354640 22.990 > 17 71 Na 0.27487286788923 0.18272617434079 0.19767618645360 22.990 > 18 72 Na 0.27487286788923 0.68272617434079 0.19767618645360 22.990 > 18 *73 P 0.89437868873542 0.32800034890709 0.66005098263551 30.974 > 19 74 P 0.89437868873542 0.82800034890709 0.66005098263551 30.974 > 19 75 P 0.60562131126458 0.07800034890709 0.83994901736449 30.974 > 20 76 P 0.60562131126458 0.57800034890709 0.83994901736449 30.974 > 20 77 P 0.60562131126458 0.42199965109291 0.33994901736449 30.974 > 21 78 P 0.60562131126458 0.92199965109291 0.33994901736449 30.974 > 21 79 P 0.89437868873542 0.17199965109291 0.16005098263551 30.974 > 22 80 P 0.89437868873542 0.67199965109291 0.16005098263551 30.974 > 22 81 P 0.39437868873542 0.07800034890709 0.66005098263551 30.974 > 19 82 P 0.39437868873542 0.57800034890709 0.66005098263551 30.974 > 19 83 P 0.10562131126458 0.32800034890709 0.83994901736449 30.974 > 20 84 P 0.10562131126458 0.82800034890709 0.83994901736449 30.974 > 20 85 P 0.10562131126458 0.17199965109291 0.33994901736449 30.974 > 21 86 P 0.10562131126458 0.67199965109291 0.33994901736449 30.974 > 21 87 P 0.39437868873542 0.42199965109291 0.16005098263551 30.974 > 22 88 P 0.39437868873542 0.92199965109291 0.16005098263551 30.974 > 22 *89 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 > 23 90 Pd 0.00000000000000 0.50000000000000 0.50000000000000 106.420 > 23 91 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 24 92 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 > 24 93 Pd 0.50000000000000 0.25000000000000 0.50000000000000 106.420 > 23 94 Pd 0.50000000000000 0.75000000000000 0.50000000000000 106.420 > 23 95 Pd 0.50000000000000 0.25000000000000 0.00000000000000 106.420 > 24 96 Pd 0.50000000000000 0.75000000000000 0.00000000000000 106.420 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9340060 0.0000000 -0.0619036 0.0000000 3.0394384 0.0000000 -0.0619041 0.0000000 3.0448208 -------------------------- Born effective charges -------------------------- 1 O -1.3929874 0.6411474 0.5087647 0.7178461 -1.3564393 -0.3791769 0.4931456 -0.5224857 -1.5408857 2 O -1.3929874 -0.6411474 0.5087647 -0.7178461 -1.3564393 0.3791769 0.4931456 0.5224857 -1.5408857 3 O -1.3929874 0.6411474 0.5087647 0.7178461 -1.3564393 -0.3791769 0.4931456 -0.5224857 -1.5408857 4 O -1.3929874 -0.6411474 0.5087647 -0.7178461 -1.3564393 0.3791769 0.4931456 0.5224857 -1.5408857 5 O -1.0216155 -0.0645276 0.0888495 0.0338104 -1.4056715 0.7997076 0.1161236 0.9413736 -1.9542463 6 O -1.0216155 0.0645276 0.0888495 -0.0338104 -1.4056715 -0.7997076 0.1161236 -0.9413736 -1.9542463 7 O -1.0216155 -0.0645276 0.0888495 0.0338104 -1.4056715 0.7997076 0.1161236 0.9413736 -1.9542463 8 O -1.0216155 0.0645276 0.0888495 -0.0338104 -1.4056715 -0.7997076 0.1161236 -0.9413736 -1.9542463 9 O -1.9109518 0.0000000 -0.4563594 0.0000000 -1.2092269 0.0000000 -0.5133129 0.0000000 -1.2504015 10 O -1.9109518 0.0000000 -0.4563594 0.0000000 -1.2092269 0.0000000 -0.5133129 0.0000000 -1.2504015 11 O -1.6598123 -0.6318696 -0.0939103 -0.6075316 -1.7088317 -0.1852085 -0.1203941 -0.2704509 -1.3659560 12 O -1.6598123 0.6318696 -0.0939103 0.6075316 -1.7088317 0.1852085 -0.1203941 0.2704509 -1.3659560 13 O -1.6598123 -0.6318696 -0.0939103 -0.6075316 -1.7088317 -0.1852085 -0.1203941 -0.2704509 -1.3659560 14 O -1.6598123 0.6318696 -0.0939103 0.6075316 -1.7088317 0.1852085 -0.1203941 0.2704509 -1.3659560 15 Na 1.3561419 0.0868086 0.1248426 -0.0432109 1.1084907 0.0882231 0.1524400 0.0474373 1.1190546 16 Na 1.3561419 -0.0868086 0.1248426 0.0432109 1.1084907 -0.0882231 0.1524400 -0.0474373 1.1190546 17 Na 1.3561419 0.0868086 0.1248426 -0.0432109 1.1084907 0.0882231 0.1524400 0.0474373 1.1190546 18 Na 1.3561419 -0.0868086 0.1248426 0.0432109 1.1084907 -0.0882231 0.1524400 -0.0474373 1.1190546 19 P 3.0575266 0.3040297 -0.5229207 0.0791653 3.1266338 -0.0930920 -0.4914682 0.2524934 3.8172938 20 P 3.0575266 -0.3040297 -0.5229207 -0.0791653 3.1266338 0.0930920 -0.4914682 -0.2524934 3.8172938 21 P 3.0575266 0.3040297 -0.5229207 0.0791653 3.1266338 -0.0930920 -0.4914682 0.2524934 3.8172938 22 P 3.0575266 -0.3040297 -0.5229207 -0.0791653 3.1266338 0.0930920 -0.4914682 -0.2524934 3.8172938 23 Pd 1.2324452 0.5931703 0.2451078 0.4772806 1.6808627 -0.7423728 0.2136193 -1.1137378 1.0998808 24 Pd 1.2324452 -0.5931703 0.2451078 -0.4772806 1.6808627 0.7423728 0.2136193 1.1137378 1.0998808 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 12528/12528 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2711 Number of blocks in projector: 2711 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: 582 Use submatrix version of eigh solver. (1) Block: 582 / 582 (2) Block: 250 / 582 (2) 237 eigenvectors found. (2) Block: 500 / 582 (2) 239 eigenvectors found. (2) Block: 582 / 582 (2) 76 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 569 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 574 Use submatrix version of eigh solver. (1) Block: 574 / 574 (2) Block: 250 / 574 (2) 238 eigenvectors found. (2) Block: 500 / 574 (2) 239 eigenvectors found. (2) Block: 574 / 574 (2) 64 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 562 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 574 Use submatrix version of eigh solver. (1) Block: 574 / 574 (2) Block: 250 / 574 (2) 238 eigenvectors found. (2) Block: 500 / 574 (2) 239 eigenvectors found. (2) Block: 574 / 574 (2) 64 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 562 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 327 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 327 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 327 Use standard eigh solver. Tree of FC basis block matrices: - (2711, 2653), data: False |-- (327, 320), data: True |-- (327, 320), data: True |-- (327, 320), data: True |-- (574, 562), data: False |-- (574, 562), data: False |-- (574, 21), data: (574, 33) @ (33, 21) |-- (74, 64), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (574, 562), data: False |-- (574, 562), data: False |-- (574, 21), data: (574, 33) @ (33, 21) |-- (74, 64), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (582, 569), data: False |-- (582, 569), data: False |-- (582, 17), data: (582, 30) @ (30, 17) |-- (82, 76), data: True |-- (250, 239), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 1.164 Solver_block: 200 / 720 - Time: 0.828 Solver_block: 300 / 720 - Time: 1.407 Solver_block: 400 / 720 - Time: 1.201 Solver_block: 500 / 720 - Time: 1.319 Solver_block: 600 / 720 - Time: 1.620 Solver_block: 700 / 720 - Time: 1.385 Solver_block: 720 / 720 - Time: 0.267 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.767 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 12528/12528 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2711 Number of blocks in projector: 2711 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: 582 Use submatrix version of eigh solver. (1) Block: 582 / 582 (2) Block: 250 / 582 (2) 237 eigenvectors found. (2) Block: 500 / 582 (2) 239 eigenvectors found. (2) Block: 582 / 582 (2) 76 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 569 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 574 Use submatrix version of eigh solver. (1) Block: 574 / 574 (2) Block: 250 / 574 (2) 238 eigenvectors found. (2) Block: 500 / 574 (2) 239 eigenvectors found. (2) Block: 574 / 574 (2) 64 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 562 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 574 Use submatrix version of eigh solver. (1) Block: 574 / 574 (2) Block: 250 / 574 (2) 238 eigenvectors found. (2) Block: 500 / 574 (2) 239 eigenvectors found. (2) Block: 574 / 574 (2) 64 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 562 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 327 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 327 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 327 Use standard eigh solver. Tree of FC basis block matrices: - (2711, 2653), data: False |-- (327, 320), data: True |-- (327, 320), data: True |-- (327, 320), data: True |-- (574, 562), data: False |-- (574, 562), data: False |-- (574, 21), data: (574, 33) @ (33, 21) |-- (74, 64), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (574, 562), data: False |-- (574, 562), data: False |-- (574, 21), data: (574, 33) @ (33, 21) |-- (74, 64), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (582, 569), data: False |-- (582, 569), data: False |-- (582, 17), data: (582, 30) @ (30, 17) |-- (82, 76), data: True |-- (250, 239), data: True |-- (250, 237), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:09:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:09:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.319446745594896 -2.966590510000000 0.000000000000000 b 7.319446745594896 2.966590510000000 0.000000000000000 c -3.121319756475349 0.000000000000000 7.195033276155378 Atomic positions (fractional): 1 O 0.67402111830292 0.11488314520852 0.98702897772192 15.999 2 O 0.88511685479148 0.32597888169708 0.51297102227808 15.999 3 O 0.32597888169708 0.88511685479148 0.01297102227808 15.999 4 O 0.11488314520852 0.67402111830292 0.48702897772192 15.999 5 O 0.29206785246531 0.93203271507901 0.69036623923638 15.999 6 O 0.06796728492099 0.70793214753468 0.80963376076362 15.999 7 O 0.70793214753469 0.06796728492099 0.30963376076362 15.999 8 O 0.93203271507901 0.29206785246532 0.19036623923638 15.999 9 O 0.47346500082790 0.52653499917210 0.75000000000000 15.999 10 O 0.52653499917210 0.47346500082790 0.25000000000000 15.999 11 O 0.67411309183296 0.70259899636140 0.39272598396641 15.999 12 O 0.29740100363860 0.32588690816704 0.10727401603359 15.999 13 O 0.32588690816704 0.29740100363860 0.60727401603359 15.999 14 O 0.70259899636140 0.67411309183296 0.89272598396641 15.999 15 Na 0.64032521657081 0.90942051920765 0.69767618645360 22.990 16 Na 0.09057948079235 0.35967478342919 0.80232381354640 22.990 17 Na 0.35967478342919 0.09057948079235 0.30232381354640 22.990 18 Na 0.90942051920765 0.64032521657081 0.19767618645360 22.990 19 P 0.23837799092124 0.55037938654960 0.66005098263551 30.974 20 P 0.44962061345040 0.76162200907876 0.83994901736449 30.974 21 P 0.76162200907876 0.44962061345040 0.33994901736449 30.974 22 P 0.55037938654960 0.23837799092124 0.16005098263551 30.974 23 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 24 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.638893491189792 0.000000000000000 0.000000000000000 b 0.000000000000000 11.866362040000000 0.000000000000000 c -3.121319756475349 0.000000000000000 7.195033276155378 Atomic positions (fractional): 1 O 0.89445213175572 0.11021550672640 0.98702897772192 15.999 > 1 2 O 0.89445213175572 0.61021550672640 0.98702897772192 15.999 > 1 3 O 0.60554786824428 0.36021550672640 0.51297102227808 15.999 > 3 4 O 0.60554786824428 0.86021550672640 0.51297102227808 15.999 > 3 5 O 0.60554786824428 0.13978449327360 0.01297102227808 15.999 > 5 6 O 0.60554786824428 0.63978449327360 0.01297102227808 15.999 > 5 7 O 0.89445213175572 0.38978449327360 0.48702897772192 15.999 > 7 8 O 0.89445213175572 0.88978449327360 0.48702897772192 15.999 > 7 9 O 0.61205028377216 0.15999121565342 0.69036623923638 15.999 > 9 10 O 0.61205028377216 0.65999121565342 0.69036623923638 15.999 > 9 11 O 0.88794971622784 0.40999121565342 0.80963376076362 15.999 > 11 12 O 0.88794971622784 0.90999121565342 0.80963376076362 15.999 > 11 13 O 0.88794971622784 0.09000878434658 0.30963376076362 15.999 > 13 14 O 0.88794971622784 0.59000878434658 0.30963376076362 15.999 > 13 15 O 0.61205028377216 0.34000878434658 0.19036623923638 15.999 > 15 16 O 0.61205028377216 0.84000878434658 0.19036623923638 15.999 > 15 17 O 0.00000000000000 0.26326749958605 0.75000000000000 15.999 > 17 18 O 0.00000000000000 0.76326749958605 0.75000000000000 15.999 > 17 19 O 0.00000000000000 0.23673250041395 0.25000000000000 15.999 > 19 20 O 0.00000000000000 0.73673250041395 0.25000000000000 15.999 > 19 21 O 0.68835604409718 0.00712147613211 0.39272598396641 15.999 > 21 22 O 0.68835604409718 0.50712147613211 0.39272598396641 15.999 > 21 23 O 0.81164395590282 0.25712147613211 0.10727401603359 15.999 > 23 24 O 0.81164395590282 0.75712147613211 0.10727401603359 15.999 > 23 25 O 0.81164395590282 0.24287852386789 0.60727401603359 15.999 > 25 26 O 0.81164395590282 0.74287852386789 0.60727401603359 15.999 > 25 27 O 0.68835604409718 0.49287852386789 0.89272598396641 15.999 > 27 28 O 0.68835604409718 0.99287852386789 0.89272598396641 15.999 > 27 29 O 0.39445213175572 0.36021550672640 0.98702897772192 15.999 > 1 30 O 0.39445213175572 0.86021550672640 0.98702897772192 15.999 > 1 31 O 0.10554786824428 0.11021550672640 0.51297102227808 15.999 > 3 32 O 0.10554786824428 0.61021550672640 0.51297102227808 15.999 > 3 33 O 0.10554786824428 0.38978449327360 0.01297102227808 15.999 > 5 34 O 0.10554786824428 0.88978449327360 0.01297102227808 15.999 > 5 35 O 0.39445213175572 0.13978449327360 0.48702897772192 15.999 > 7 36 O 0.39445213175572 0.63978449327360 0.48702897772192 15.999 > 7 37 O 0.11205028377216 0.40999121565342 0.69036623923638 15.999 > 9 38 O 0.11205028377216 0.90999121565342 0.69036623923638 15.999 > 9 39 O 0.38794971622784 0.15999121565342 0.80963376076362 15.999 > 11 40 O 0.38794971622784 0.65999121565342 0.80963376076362 15.999 > 11 41 O 0.38794971622784 0.34000878434658 0.30963376076362 15.999 > 13 42 O 0.38794971622784 0.84000878434658 0.30963376076362 15.999 > 13 43 O 0.11205028377216 0.09000878434658 0.19036623923638 15.999 > 15 44 O 0.11205028377216 0.59000878434658 0.19036623923638 15.999 > 15 45 O 0.50000000000000 0.01326749958605 0.75000000000000 15.999 > 17 46 O 0.50000000000000 0.51326749958605 0.75000000000000 15.999 > 17 47 O 0.50000000000000 0.48673250041395 0.25000000000000 15.999 > 19 48 O 0.50000000000000 0.98673250041395 0.25000000000000 15.999 > 19 49 O 0.18835604409718 0.25712147613211 0.39272598396641 15.999 > 21 50 O 0.18835604409718 0.75712147613211 0.39272598396641 15.999 > 21 51 O 0.31164395590282 0.00712147613211 0.10727401603359 15.999 > 23 52 O 0.31164395590282 0.50712147613211 0.10727401603359 15.999 > 23 53 O 0.31164395590282 0.49287852386789 0.60727401603359 15.999 > 25 54 O 0.31164395590282 0.99287852386789 0.60727401603359 15.999 > 25 55 O 0.18835604409718 0.24287852386789 0.89272598396641 15.999 > 27 56 O 0.18835604409718 0.74287852386789 0.89272598396641 15.999 > 27 57 Na 0.77487286788923 0.06727382565921 0.69767618645360 22.990 > 57 58 Na 0.77487286788923 0.56727382565921 0.69767618645360 22.990 > 57 59 Na 0.72512713211077 0.31727382565921 0.80232381354640 22.990 > 59 60 Na 0.72512713211077 0.81727382565921 0.80232381354640 22.990 > 59 61 Na 0.72512713211077 0.18272617434079 0.30232381354640 22.990 > 61 62 Na 0.72512713211077 0.68272617434079 0.30232381354640 22.990 > 61 63 Na 0.77487286788923 0.43272617434079 0.19767618645360 22.990 > 63 64 Na 0.77487286788923 0.93272617434079 0.19767618645360 22.990 > 63 65 Na 0.27487286788923 0.31727382565921 0.69767618645360 22.990 > 57 66 Na 0.27487286788923 0.81727382565921 0.69767618645360 22.990 > 57 67 Na 0.22512713211077 0.06727382565921 0.80232381354640 22.990 > 59 68 Na 0.22512713211077 0.56727382565921 0.80232381354640 22.990 > 59 69 Na 0.22512713211077 0.43272617434079 0.30232381354640 22.990 > 61 70 Na 0.22512713211077 0.93272617434079 0.30232381354640 22.990 > 61 71 Na 0.27487286788923 0.18272617434079 0.19767618645360 22.990 > 63 72 Na 0.27487286788923 0.68272617434079 0.19767618645360 22.990 > 63 73 P 0.89437868873542 0.32800034890709 0.66005098263551 30.974 > 73 74 P 0.89437868873542 0.82800034890709 0.66005098263551 30.974 > 73 75 P 0.60562131126458 0.07800034890709 0.83994901736449 30.974 > 75 76 P 0.60562131126458 0.57800034890709 0.83994901736449 30.974 > 75 77 P 0.60562131126458 0.42199965109291 0.33994901736449 30.974 > 77 78 P 0.60562131126458 0.92199965109291 0.33994901736449 30.974 > 77 79 P 0.89437868873542 0.17199965109291 0.16005098263551 30.974 > 79 80 P 0.89437868873542 0.67199965109291 0.16005098263551 30.974 > 79 81 P 0.39437868873542 0.07800034890709 0.66005098263551 30.974 > 73 82 P 0.39437868873542 0.57800034890709 0.66005098263551 30.974 > 73 83 P 0.10562131126458 0.32800034890709 0.83994901736449 30.974 > 75 84 P 0.10562131126458 0.82800034890709 0.83994901736449 30.974 > 75 85 P 0.10562131126458 0.17199965109291 0.33994901736449 30.974 > 77 86 P 0.10562131126458 0.67199965109291 0.33994901736449 30.974 > 77 87 P 0.39437868873542 0.42199965109291 0.16005098263551 30.974 > 79 88 P 0.39437868873542 0.92199965109291 0.16005098263551 30.974 > 79 89 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 > 89 90 Pd 0.00000000000000 0.50000000000000 0.50000000000000 106.420 > 89 91 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 91 92 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 > 91 93 Pd 0.50000000000000 0.25000000000000 0.50000000000000 106.420 > 89 94 Pd 0.50000000000000 0.75000000000000 0.50000000000000 106.420 > 89 95 Pd 0.50000000000000 0.25000000000000 0.00000000000000 106.420 > 91 96 Pd 0.50000000000000 0.75000000000000 0.00000000000000 106.420 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9340060 0.0000000 -0.0619036 0.0000000 3.0394384 0.0000000 -0.0619041 0.0000000 3.0448208 -------------------------- Born effective charges -------------------------- 1 O -1.3929874 0.6411474 0.5087647 0.7178461 -1.3564393 -0.3791769 0.4931456 -0.5224857 -1.5408857 2 O -1.3929874 -0.6411474 0.5087647 -0.7178461 -1.3564393 0.3791769 0.4931456 0.5224857 -1.5408857 3 O -1.3929874 0.6411474 0.5087647 0.7178461 -1.3564393 -0.3791769 0.4931456 -0.5224857 -1.5408857 4 O -1.3929874 -0.6411474 0.5087647 -0.7178461 -1.3564393 0.3791769 0.4931456 0.5224857 -1.5408857 5 O -1.0216155 -0.0645276 0.0888495 0.0338104 -1.4056715 0.7997076 0.1161236 0.9413736 -1.9542463 6 O -1.0216155 0.0645276 0.0888495 -0.0338104 -1.4056715 -0.7997076 0.1161236 -0.9413736 -1.9542463 7 O -1.0216155 -0.0645276 0.0888495 0.0338104 -1.4056715 0.7997076 0.1161236 0.9413736 -1.9542463 8 O -1.0216155 0.0645276 0.0888495 -0.0338104 -1.4056715 -0.7997076 0.1161236 -0.9413736 -1.9542463 9 O -1.9109518 0.0000000 -0.4563594 0.0000000 -1.2092269 0.0000000 -0.5133129 0.0000000 -1.2504015 10 O -1.9109518 0.0000000 -0.4563594 0.0000000 -1.2092269 0.0000000 -0.5133129 0.0000000 -1.2504015 11 O -1.6598123 -0.6318696 -0.0939103 -0.6075316 -1.7088317 -0.1852085 -0.1203941 -0.2704509 -1.3659560 12 O -1.6598123 0.6318696 -0.0939103 0.6075316 -1.7088317 0.1852085 -0.1203941 0.2704509 -1.3659560 13 O -1.6598123 -0.6318696 -0.0939103 -0.6075316 -1.7088317 -0.1852085 -0.1203941 -0.2704509 -1.3659560 14 O -1.6598123 0.6318696 -0.0939103 0.6075316 -1.7088317 0.1852085 -0.1203941 0.2704509 -1.3659560 15 Na 1.3561419 0.0868086 0.1248426 -0.0432109 1.1084907 0.0882231 0.1524400 0.0474373 1.1190546 16 Na 1.3561419 -0.0868086 0.1248426 0.0432109 1.1084907 -0.0882231 0.1524400 -0.0474373 1.1190546 17 Na 1.3561419 0.0868086 0.1248426 -0.0432109 1.1084907 0.0882231 0.1524400 0.0474373 1.1190546 18 Na 1.3561419 -0.0868086 0.1248426 0.0432109 1.1084907 -0.0882231 0.1524400 -0.0474373 1.1190546 19 P 3.0575266 0.3040297 -0.5229207 0.0791653 3.1266338 -0.0930920 -0.4914682 0.2524934 3.8172938 20 P 3.0575266 -0.3040297 -0.5229207 -0.0791653 3.1266338 0.0930920 -0.4914682 -0.2524934 3.8172938 21 P 3.0575266 0.3040297 -0.5229207 0.0791653 3.1266338 -0.0930920 -0.4914682 0.2524934 3.8172938 22 P 3.0575266 -0.3040297 -0.5229207 -0.0791653 3.1266338 0.0930920 -0.4914682 -0.2524934 3.8172938 23 Pd 1.2324452 0.5931703 0.2451078 0.4772806 1.6808627 -0.7423728 0.2136193 -1.1137378 1.0998808 24 Pd 1.2324452 -0.5931703 0.2451078 -0.4772806 1.6808627 0.7423728 0.2136193 1.1137378 1.0998808 ---------------------------------------------------------------------------- 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 9, 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 21, 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 57, 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 89, 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yz) 0.00000001 (yz) 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 23:10:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:10:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.319446745594896 -2.966590510000000 0.000000000000000 b 7.319446745594896 2.966590510000000 0.000000000000000 c -3.121319756475349 0.000000000000000 7.195033276155378 Atomic positions (fractional): 1 O 0.67402111830292 0.11488314520852 0.98702897772192 15.999 2 O 0.88511685479148 0.32597888169708 0.51297102227808 15.999 3 O 0.32597888169708 0.88511685479148 0.01297102227808 15.999 4 O 0.11488314520852 0.67402111830292 0.48702897772192 15.999 5 O 0.29206785246531 0.93203271507901 0.69036623923638 15.999 6 O 0.06796728492099 0.70793214753468 0.80963376076362 15.999 7 O 0.70793214753469 0.06796728492099 0.30963376076362 15.999 8 O 0.93203271507901 0.29206785246532 0.19036623923638 15.999 9 O 0.47346500082790 0.52653499917210 0.75000000000000 15.999 10 O 0.52653499917210 0.47346500082790 0.25000000000000 15.999 11 O 0.67411309183296 0.70259899636140 0.39272598396641 15.999 12 O 0.29740100363860 0.32588690816704 0.10727401603359 15.999 13 O 0.32588690816704 0.29740100363860 0.60727401603359 15.999 14 O 0.70259899636140 0.67411309183296 0.89272598396641 15.999 15 Na 0.64032521657081 0.90942051920765 0.69767618645360 22.990 16 Na 0.09057948079235 0.35967478342919 0.80232381354640 22.990 17 Na 0.35967478342919 0.09057948079235 0.30232381354640 22.990 18 Na 0.90942051920765 0.64032521657081 0.19767618645360 22.990 19 P 0.23837799092124 0.55037938654960 0.66005098263551 30.974 20 P 0.44962061345040 0.76162200907876 0.83994901736449 30.974 21 P 0.76162200907876 0.44962061345040 0.33994901736449 30.974 22 P 0.55037938654960 0.23837799092124 0.16005098263551 30.974 23 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 24 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.638893491189792 0.000000000000000 0.000000000000000 b 0.000000000000000 11.866362040000000 0.000000000000000 c -3.121319756475349 0.000000000000000 7.195033276155378 Atomic positions (fractional): 1 O 0.89445213175572 0.11021550672640 0.98702897772192 15.999 > 1 2 O 0.89445213175572 0.61021550672640 0.98702897772192 15.999 > 1 3 O 0.60554786824428 0.36021550672640 0.51297102227808 15.999 > 3 4 O 0.60554786824428 0.86021550672640 0.51297102227808 15.999 > 3 5 O 0.60554786824428 0.13978449327360 0.01297102227808 15.999 > 5 6 O 0.60554786824428 0.63978449327360 0.01297102227808 15.999 > 5 7 O 0.89445213175572 0.38978449327360 0.48702897772192 15.999 > 7 8 O 0.89445213175572 0.88978449327360 0.48702897772192 15.999 > 7 9 O 0.61205028377216 0.15999121565342 0.69036623923638 15.999 > 9 10 O 0.61205028377216 0.65999121565342 0.69036623923638 15.999 > 9 11 O 0.88794971622784 0.40999121565342 0.80963376076362 15.999 > 11 12 O 0.88794971622784 0.90999121565342 0.80963376076362 15.999 > 11 13 O 0.88794971622784 0.09000878434658 0.30963376076362 15.999 > 13 14 O 0.88794971622784 0.59000878434658 0.30963376076362 15.999 > 13 15 O 0.61205028377216 0.34000878434658 0.19036623923638 15.999 > 15 16 O 0.61205028377216 0.84000878434658 0.19036623923638 15.999 > 15 17 O 0.00000000000000 0.26326749958605 0.75000000000000 15.999 > 17 18 O 0.00000000000000 0.76326749958605 0.75000000000000 15.999 > 17 19 O 0.00000000000000 0.23673250041395 0.25000000000000 15.999 > 19 20 O 0.00000000000000 0.73673250041395 0.25000000000000 15.999 > 19 21 O 0.68835604409718 0.00712147613211 0.39272598396641 15.999 > 21 22 O 0.68835604409718 0.50712147613211 0.39272598396641 15.999 > 21 23 O 0.81164395590282 0.25712147613211 0.10727401603359 15.999 > 23 24 O 0.81164395590282 0.75712147613211 0.10727401603359 15.999 > 23 25 O 0.81164395590282 0.24287852386789 0.60727401603359 15.999 > 25 26 O 0.81164395590282 0.74287852386789 0.60727401603359 15.999 > 25 27 O 0.68835604409718 0.49287852386789 0.89272598396641 15.999 > 27 28 O 0.68835604409718 0.99287852386789 0.89272598396641 15.999 > 27 29 O 0.39445213175572 0.36021550672640 0.98702897772192 15.999 > 1 30 O 0.39445213175572 0.86021550672640 0.98702897772192 15.999 > 1 31 O 0.10554786824428 0.11021550672640 0.51297102227808 15.999 > 3 32 O 0.10554786824428 0.61021550672640 0.51297102227808 15.999 > 3 33 O 0.10554786824428 0.38978449327360 0.01297102227808 15.999 > 5 34 O 0.10554786824428 0.88978449327360 0.01297102227808 15.999 > 5 35 O 0.39445213175572 0.13978449327360 0.48702897772192 15.999 > 7 36 O 0.39445213175572 0.63978449327360 0.48702897772192 15.999 > 7 37 O 0.11205028377216 0.40999121565342 0.69036623923638 15.999 > 9 38 O 0.11205028377216 0.90999121565342 0.69036623923638 15.999 > 9 39 O 0.38794971622784 0.15999121565342 0.80963376076362 15.999 > 11 40 O 0.38794971622784 0.65999121565342 0.80963376076362 15.999 > 11 41 O 0.38794971622784 0.34000878434658 0.30963376076362 15.999 > 13 42 O 0.38794971622784 0.84000878434658 0.30963376076362 15.999 > 13 43 O 0.11205028377216 0.09000878434658 0.19036623923638 15.999 > 15 44 O 0.11205028377216 0.59000878434658 0.19036623923638 15.999 > 15 45 O 0.50000000000000 0.01326749958605 0.75000000000000 15.999 > 17 46 O 0.50000000000000 0.51326749958605 0.75000000000000 15.999 > 17 47 O 0.50000000000000 0.48673250041395 0.25000000000000 15.999 > 19 48 O 0.50000000000000 0.98673250041395 0.25000000000000 15.999 > 19 49 O 0.18835604409718 0.25712147613211 0.39272598396641 15.999 > 21 50 O 0.18835604409718 0.75712147613211 0.39272598396641 15.999 > 21 51 O 0.31164395590282 0.00712147613211 0.10727401603359 15.999 > 23 52 O 0.31164395590282 0.50712147613211 0.10727401603359 15.999 > 23 53 O 0.31164395590282 0.49287852386789 0.60727401603359 15.999 > 25 54 O 0.31164395590282 0.99287852386789 0.60727401603359 15.999 > 25 55 O 0.18835604409718 0.24287852386789 0.89272598396641 15.999 > 27 56 O 0.18835604409718 0.74287852386789 0.89272598396641 15.999 > 27 57 Na 0.77487286788923 0.06727382565921 0.69767618645360 22.990 > 57 58 Na 0.77487286788923 0.56727382565921 0.69767618645360 22.990 > 57 59 Na 0.72512713211077 0.31727382565921 0.80232381354640 22.990 > 59 60 Na 0.72512713211077 0.81727382565921 0.80232381354640 22.990 > 59 61 Na 0.72512713211077 0.18272617434079 0.30232381354640 22.990 > 61 62 Na 0.72512713211077 0.68272617434079 0.30232381354640 22.990 > 61 63 Na 0.77487286788923 0.43272617434079 0.19767618645360 22.990 > 63 64 Na 0.77487286788923 0.93272617434079 0.19767618645360 22.990 > 63 65 Na 0.27487286788923 0.31727382565921 0.69767618645360 22.990 > 57 66 Na 0.27487286788923 0.81727382565921 0.69767618645360 22.990 > 57 67 Na 0.22512713211077 0.06727382565921 0.80232381354640 22.990 > 59 68 Na 0.22512713211077 0.56727382565921 0.80232381354640 22.990 > 59 69 Na 0.22512713211077 0.43272617434079 0.30232381354640 22.990 > 61 70 Na 0.22512713211077 0.93272617434079 0.30232381354640 22.990 > 61 71 Na 0.27487286788923 0.18272617434079 0.19767618645360 22.990 > 63 72 Na 0.27487286788923 0.68272617434079 0.19767618645360 22.990 > 63 73 P 0.89437868873542 0.32800034890709 0.66005098263551 30.974 > 73 74 P 0.89437868873542 0.82800034890709 0.66005098263551 30.974 > 73 75 P 0.60562131126458 0.07800034890709 0.83994901736449 30.974 > 75 76 P 0.60562131126458 0.57800034890709 0.83994901736449 30.974 > 75 77 P 0.60562131126458 0.42199965109291 0.33994901736449 30.974 > 77 78 P 0.60562131126458 0.92199965109291 0.33994901736449 30.974 > 77 79 P 0.89437868873542 0.17199965109291 0.16005098263551 30.974 > 79 80 P 0.89437868873542 0.67199965109291 0.16005098263551 30.974 > 79 81 P 0.39437868873542 0.07800034890709 0.66005098263551 30.974 > 73 82 P 0.39437868873542 0.57800034890709 0.66005098263551 30.974 > 73 83 P 0.10562131126458 0.32800034890709 0.83994901736449 30.974 > 75 84 P 0.10562131126458 0.82800034890709 0.83994901736449 30.974 > 75 85 P 0.10562131126458 0.17199965109291 0.33994901736449 30.974 > 77 86 P 0.10562131126458 0.67199965109291 0.33994901736449 30.974 > 77 87 P 0.39437868873542 0.42199965109291 0.16005098263551 30.974 > 79 88 P 0.39437868873542 0.92199965109291 0.16005098263551 30.974 > 79 89 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 > 89 90 Pd 0.00000000000000 0.50000000000000 0.50000000000000 106.420 > 89 91 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 91 92 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 > 91 93 Pd 0.50000000000000 0.25000000000000 0.50000000000000 106.420 > 89 94 Pd 0.50000000000000 0.75000000000000 0.50000000000000 106.420 > 89 95 Pd 0.50000000000000 0.25000000000000 0.00000000000000 106.420 > 91 96 Pd 0.50000000000000 0.75000000000000 0.00000000000000 106.420 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9340060 0.0000000 -0.0619036 0.0000000 3.0394384 0.0000000 -0.0619041 0.0000000 3.0448208 -------------------------- Born effective charges -------------------------- 1 O -1.3929874 0.6411474 0.5087647 0.7178461 -1.3564393 -0.3791769 0.4931456 -0.5224857 -1.5408857 2 O -1.3929874 -0.6411474 0.5087647 -0.7178461 -1.3564393 0.3791769 0.4931456 0.5224857 -1.5408857 3 O -1.3929874 0.6411474 0.5087647 0.7178461 -1.3564393 -0.3791769 0.4931456 -0.5224857 -1.5408857 4 O -1.3929874 -0.6411474 0.5087647 -0.7178461 -1.3564393 0.3791769 0.4931456 0.5224857 -1.5408857 5 O -1.0216155 -0.0645276 0.0888495 0.0338104 -1.4056715 0.7997076 0.1161236 0.9413736 -1.9542463 6 O -1.0216155 0.0645276 0.0888495 -0.0338104 -1.4056715 -0.7997076 0.1161236 -0.9413736 -1.9542463 7 O -1.0216155 -0.0645276 0.0888495 0.0338104 -1.4056715 0.7997076 0.1161236 0.9413736 -1.9542463 8 O -1.0216155 0.0645276 0.0888495 -0.0338104 -1.4056715 -0.7997076 0.1161236 -0.9413736 -1.9542463 9 O -1.9109518 0.0000000 -0.4563594 0.0000000 -1.2092269 0.0000000 -0.5133129 0.0000000 -1.2504015 10 O -1.9109518 0.0000000 -0.4563594 0.0000000 -1.2092269 0.0000000 -0.5133129 0.0000000 -1.2504015 11 O -1.6598123 -0.6318696 -0.0939103 -0.6075316 -1.7088317 -0.1852085 -0.1203941 -0.2704509 -1.3659560 12 O -1.6598123 0.6318696 -0.0939103 0.6075316 -1.7088317 0.1852085 -0.1203941 0.2704509 -1.3659560 13 O -1.6598123 -0.6318696 -0.0939103 -0.6075316 -1.7088317 -0.1852085 -0.1203941 -0.2704509 -1.3659560 14 O -1.6598123 0.6318696 -0.0939103 0.6075316 -1.7088317 0.1852085 -0.1203941 0.2704509 -1.3659560 15 Na 1.3561419 0.0868086 0.1248426 -0.0432109 1.1084907 0.0882231 0.1524400 0.0474373 1.1190546 16 Na 1.3561419 -0.0868086 0.1248426 0.0432109 1.1084907 -0.0882231 0.1524400 -0.0474373 1.1190546 17 Na 1.3561419 0.0868086 0.1248426 -0.0432109 1.1084907 0.0882231 0.1524400 0.0474373 1.1190546 18 Na 1.3561419 -0.0868086 0.1248426 0.0432109 1.1084907 -0.0882231 0.1524400 -0.0474373 1.1190546 19 P 3.0575266 0.3040297 -0.5229207 0.0791653 3.1266338 -0.0930920 -0.4914682 0.2524934 3.8172938 20 P 3.0575266 -0.3040297 -0.5229207 -0.0791653 3.1266338 0.0930920 -0.4914682 -0.2524934 3.8172938 21 P 3.0575266 0.3040297 -0.5229207 0.0791653 3.1266338 -0.0930920 -0.4914682 0.2524934 3.8172938 22 P 3.0575266 -0.3040297 -0.5229207 -0.0791653 3.1266338 0.0930920 -0.4914682 -0.2524934 3.8172938 23 Pd 1.2324452 0.5931703 0.2451078 0.4772806 1.6808627 -0.7423728 0.2136193 -1.1137378 1.0998808 24 Pd 1.2324452 -0.5931703 0.2451078 -0.4772806 1.6808627 0.7423728 0.2136193 1.1137378 1.0998808 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.61, Number of G-points: 291, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/160) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 160 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 2.147 ( 0.000 0.000 0.000) 0.000 2.616 ( 0.000 0.000 0.000) 0.000 2.693 ( 0.000 0.000 0.000) 0.000 2.796 ( 0.000 0.000 0.000) 0.000 2.932 ( 0.000 0.000 0.000) 0.000 3.724 ( 0.000 0.000 0.000) 0.000 3.743 ( 0.000 0.000 0.000) 0.000 4.114 ( 0.000 0.000 0.000) 0.000 4.166 ( 0.000 0.000 0.000) 0.000 4.297 ( 0.000 0.000 0.000) 0.000 4.574 ( 0.000 0.000 0.000) 0.000 4.795 ( 0.000 0.000 0.000) 0.000 4.830 ( 0.000 0.000 0.000) 0.000 5.056 ( 0.000 0.000 0.000) 0.000 5.247 ( 0.000 0.000 0.000) 0.000 5.247 ( 0.000 0.000 0.000) 0.000 5.836 ( 0.000 0.000 0.000) 0.000 5.987 ( 0.000 0.000 0.000) 0.000 6.337 ( 0.000 0.000 0.000) 0.000 6.506 ( 0.000 0.000 0.000) 0.000 6.599 ( 0.000 0.000 0.000) 0.000 6.776 ( 0.000 0.000 0.000) 0.000 7.054 ( 0.000 0.000 0.000) 0.000 7.103 ( 0.000 0.000 0.000) 0.000 7.152 ( 0.000 0.000 0.000) 0.000 7.378 ( 0.000 0.000 0.000) 0.000 8.199 ( 0.000 0.000 0.000) 0.000 8.354 ( 0.000 0.000 0.000) 0.000 8.632 ( 0.000 0.000 0.000) 0.000 8.766 ( 0.000 0.000 0.000) 0.000 8.929 ( 0.000 0.000 0.000) 0.000 9.061 ( 0.000 0.000 0.000) 0.000 9.449 ( 0.000 0.000 0.000) 0.000 9.942 ( 0.000 0.000 0.000) 0.000 10.410 ( 0.000 0.000 0.000) 0.000 10.617 ( 0.000 0.000 0.000) 0.000 11.614 ( 0.000 0.000 0.000) 0.000 11.998 ( 0.000 0.000 0.000) 0.000 12.202 ( 0.000 0.000 0.000) 0.000 12.663 ( 0.000 0.000 0.000) 0.000 13.333 ( 0.000 0.000 0.000) 0.000 13.453 ( 0.000 0.000 0.000) 0.000 13.539 ( 0.000 0.000 0.000) 0.000 14.867 ( 0.000 0.000 0.000) 0.000 15.195 ( 0.000 0.000 0.000) 0.000 16.258 ( 0.000 0.000 0.000) 0.000 16.490 ( 0.000 0.000 0.000) 0.000 17.034 ( 0.000 0.000 0.000) 0.000 17.435 ( 0.000 0.000 0.000) 0.000 17.807 ( 0.000 0.000 0.000) 0.000 18.034 ( 0.000 0.000 0.000) 0.000 18.249 ( 0.000 0.000 0.000) 0.000 18.572 ( 0.000 0.000 0.000) 0.000 22.036 ( 0.000 0.000 0.000) 0.000 22.217 ( 0.000 0.000 0.000) 0.000 26.527 ( 0.000 0.000 0.000) 0.000 26.746 ( 0.000 0.000 0.000) 0.000 28.160 ( 0.000 0.000 0.000) 0.000 28.194 ( 0.000 0.000 0.000) 0.000 28.790 ( 0.000 0.000 0.000) 0.000 29.301 ( 0.000 0.000 0.000) 0.000 29.438 ( 0.000 0.000 0.000) 0.000 30.138 ( 0.000 0.000 0.000) 0.000 30.327 ( 0.000 0.000 0.000) 0.000 32.438 ( 0.000 0.000 0.000) 0.000 33.962 ( 0.000 0.000 0.000) 0.000 34.249 ( 0.000 0.000 0.000) 0.000 34.257 ( 0.000 0.000 0.000) 0.000 34.652 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/160) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( 22.157 -18.454 5.870) 29.427 0.691 ( 8.896 -29.495 4.031) 31.070 0.941 ( 12.599 -38.550 14.411) 43.040 2.089 ( -0.459 5.310 -3.775) 6.531 2.568 ( 4.835 1.306 0.444) 5.027 2.801 ( -0.855 0.000 5.057) 5.128 2.863 ( 3.189 -9.935 -1.838) 10.595 3.013 ( 0.753 -7.264 1.608) 7.477 3.719 ( -1.484 1.894 2.348) 3.361 3.783 ( -0.538 -2.430 0.738) 2.596 4.110 ( -5.523 -1.473 -0.546) 5.742 4.195 ( -0.295 -1.797 1.907) 2.637 4.274 ( 0.826 4.631 -0.196) 4.708 4.551 ( -3.032 3.246 -3.175) 5.460 4.794 ( 6.385 3.152 -2.174) 7.445 4.882 ( 3.336 7.762 0.460) 8.461 5.177 ( -0.443 -4.395 -10.073) 10.999 5.235 ( 0.477 -0.708 3.618) 3.718 5.358 ( -4.884 -2.364 1.280) 5.575 5.872 ( 5.514 1.511 2.624) 6.290 6.052 ( 0.075 -2.229 -4.678) 5.182 6.312 ( 8.933 11.188 -0.681) 14.333 6.491 ( -3.035 7.042 -0.882) 7.719 6.561 ( 1.578 -0.480 0.256) 1.670 6.802 ( 2.499 -1.200 -6.780) 7.325 6.981 ( -1.605 4.997 0.995) 5.342 7.123 ( -0.123 5.923 -13.442) 14.689 7.163 ( -3.854 -3.281 -1.921) 5.413 7.494 ( 5.801 -1.010 15.272) 16.368 8.313 ( 0.099 2.822 -1.849) 3.375 8.370 ( 3.603 1.426 7.634) 8.561 8.662 ( -2.653 -3.328 -0.538) 4.290 8.747 ( -1.016 -0.605 -4.262) 4.423 9.086 ( 2.013 -4.234 -8.632) 9.823 9.180 ( -4.079 2.477 14.132) 14.916 9.386 ( 0.405 5.943 -0.278) 5.963 9.979 ( -1.029 -3.111 1.408) 3.567 10.410 ( -0.109 -0.803 -4.888) 4.955 10.633 ( -0.570 -0.960 4.684) 4.815 11.608 ( -0.244 0.530 0.024) 0.584 12.213 ( 0.917 -0.611 0.954) 1.457 12.261 ( -12.337 -3.821 -5.287) 13.955 12.654 ( -0.668 0.591 -0.861) 1.240 13.379 ( -3.542 -0.819 -0.605) 3.685 13.456 ( 0.157 -0.301 -0.488) 0.594 13.591 ( 6.381 1.875 2.249) 7.021 14.891 ( -0.113 -0.227 6.353) 6.359 15.190 ( 0.173 0.638 -0.032) 0.662 16.309 ( 0.560 -4.954 0.525) 5.013 16.466 ( -0.920 1.658 -1.493) 2.414 17.085 ( 9.269 3.361 -5.964) 11.523 17.399 ( 4.075 5.342 4.838) 8.280 17.803 ( -1.200 1.534 -1.473) 2.442 18.142 ( 7.961 0.967 9.739) 12.616 18.247 ( 1.171 0.500 -0.639) 1.424 18.683 ( 0.576 1.656 -0.063) 1.754 22.178 ( -3.617 -1.927 -1.243) 4.282 22.217 ( -1.377 -0.726 -0.909) 1.803 26.549 ( 7.455 4.782 1.512) 8.985 26.769 ( 0.133 -1.958 -0.058) 1.963 28.173 ( 0.491 1.374 4.459) 4.692 28.197 ( 1.031 0.387 1.452) 1.823 29.244 ( -4.350 2.431 0.462) 5.005 29.412 ( -18.883 -6.884 24.242) 31.490 29.466 ( 12.706 -2.069 -28.954) 31.687 30.245 ( -5.339 3.762 0.688) 6.568 30.455 ( -6.344 -7.748 -4.727) 11.074 32.402 ( -0.143 4.018 2.472) 4.720 33.997 ( 8.248 4.220 2.828) 9.687 34.262 ( -2.846 -1.463 -1.846) 3.694 34.634 ( 2.814 2.781 0.915) 4.061 35.447 ( -6.394 -4.717 -7.781) 11.121 ======================= Grid point 2 (3/160) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 19.976 -17.889 6.543) 27.602 1.208 ( 4.246 -17.307 4.780) 18.450 1.657 ( 9.409 -23.772 5.570) 26.166 1.974 ( -2.670 2.226 -5.254) 6.300 2.618 ( 3.374 -2.106 -10.273) 11.016 2.825 ( 3.912 0.900 13.964) 14.530 3.047 ( 4.109 -5.302 2.252) 7.075 3.155 ( -1.943 -5.470 2.524) 6.330 3.715 ( -2.022 -4.200 4.023) 6.157 3.849 ( 0.554 -4.033 1.349) 4.288 4.053 ( -6.403 3.311 -1.073) 7.288 4.187 ( 3.734 2.506 -0.768) 4.563 4.271 ( 0.231 -1.118 2.357) 2.619 4.417 ( -2.568 4.645 -1.569) 5.535 4.720 ( 1.102 5.049 2.798) 5.876 4.857 ( 5.387 -0.441 -5.175) 7.483 5.157 ( -1.975 -2.029 -8.426) 8.889 5.314 ( 3.640 0.123 12.598) 13.114 5.416 ( -2.835 -6.166 -2.863) 7.365 5.875 ( 3.148 3.695 4.332) 6.506 6.018 ( -1.110 4.897 -10.000) 11.190 6.215 ( 4.198 3.748 4.211) 7.028 6.296 ( -3.948 7.025 -1.630) 8.221 6.536 ( -2.573 4.448 1.391) 5.324 6.744 ( -1.328 2.978 -15.832) 16.164 6.916 ( 0.132 2.963 4.289) 5.215 7.007 ( 0.261 1.603 -9.551) 9.689 7.204 ( -2.960 -4.198 -1.785) 5.438 7.590 ( 2.809 -2.355 7.878) 8.689 8.238 ( 1.772 4.700 -2.319) 5.532 8.385 ( 1.176 2.191 7.643) 8.038 8.679 ( -6.785 -3.777 -1.033) 7.834 8.803 ( 4.357 -4.765 -4.416) 7.822 9.120 ( 0.208 6.631 8.746) 10.978 9.157 ( 2.095 -2.742 -3.714) 5.069 9.279 ( 0.900 4.390 -0.326) 4.493 10.015 ( -0.921 -0.167 2.738) 2.893 10.404 ( 0.339 -0.482 -6.753) 6.778 10.666 ( -1.389 -1.144 6.393) 6.641 11.597 ( -0.953 -0.113 -0.244) 0.990 12.203 ( -7.411 0.327 -3.238) 8.094 12.243 ( 1.854 -0.705 1.843) 2.708 12.622 ( -1.384 1.519 -1.496) 2.542 13.365 ( -1.124 0.438 0.895) 1.502 13.461 ( 0.277 -0.162 -0.804) 0.866 13.622 ( 3.103 -0.557 1.358) 3.432 14.925 ( 0.267 -1.684 2.878) 3.345 15.173 ( 0.162 1.334 -0.086) 1.347 16.404 ( -1.716 0.171 -1.365) 2.199 16.457 ( 1.643 -6.623 0.085) 6.825 17.047 ( -1.083 2.168 -3.828) 4.531 17.370 ( 7.274 3.918 6.106) 10.274 17.737 ( -1.379 3.975 -1.503) 4.468 18.205 ( -0.692 -1.297 4.460) 4.696 18.258 ( 4.160 -0.340 -0.751) 4.241 18.648 ( 1.837 2.844 -0.379) 3.407 22.184 ( -1.235 -0.768 -0.021) 1.454 22.218 ( -1.979 -1.149 -1.305) 2.634 26.524 ( 3.432 2.529 1.063) 4.394 26.805 ( -0.590 -1.942 -0.457) 2.080 28.164 ( -0.515 0.491 1.128) 1.333 28.204 ( 1.508 0.383 1.158) 1.940 29.168 ( -1.902 2.847 -1.325) 3.671 29.476 ( -9.444 -4.553 14.342) 17.765 29.517 ( 6.616 -3.143 -16.112) 17.699 30.134 ( -3.876 4.456 1.328) 6.053 30.530 ( -2.431 -5.089 -2.635) 6.225 32.313 ( -0.068 6.021 3.488) 6.958 33.994 ( 5.449 2.518 2.280) 6.421 34.234 ( -7.013 -0.255 -4.016) 8.085 34.619 ( 5.841 2.450 2.464) 6.797 35.462 ( -3.185 -2.799 -4.446) 6.144 ======================= Grid point 3 (4/160) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -0.710 -0.362 2.998) 3.102 1.544 ( 15.442 -15.426 6.401) 22.747 1.924 ( 0.747 -3.699 0.251) 3.782 2.064 ( 1.436 -11.581 -3.464) 12.173 2.575 ( 0.530 3.879 -11.165) 11.832 2.901 ( 2.455 -0.910 5.557) 6.143 3.088 ( 2.523 4.524 6.366) 8.207 3.179 ( -2.170 0.952 1.107) 2.615 3.881 ( -1.833 -4.145 5.591) 7.198 3.918 ( 2.217 -3.914 -4.029) 6.039 3.954 ( -1.905 -2.447 1.604) 3.491 4.174 ( -0.297 2.940 0.681) 3.033 4.233 ( 4.431 2.665 0.848) 5.239 4.449 ( -4.291 -8.677 3.666) 10.351 4.714 ( 5.152 -0.877 2.924) 5.988 4.915 ( 2.563 -3.805 -4.854) 6.679 5.165 ( 2.310 0.457 -3.753) 4.431 5.347 ( 4.009 3.183 9.549) 10.834 5.487 ( -4.855 -4.824 -3.547) 7.709 5.826 ( 1.252 3.200 4.374) 5.562 5.865 ( 0.331 6.270 -4.850) 7.933 6.155 ( -7.656 7.884 -7.602) 13.363 6.167 ( 0.084 1.708 0.993) 1.978 6.465 ( 3.085 1.453 11.805) 12.288 6.617 ( -3.444 2.812 -15.515) 16.139 6.875 ( 0.439 2.267 -5.396) 5.870 6.980 ( 0.061 0.235 0.995) 1.024 7.264 ( -1.426 -4.402 -1.418) 4.839 7.682 ( 1.713 -3.150 3.109) 4.745 8.171 ( 3.392 2.542 -5.580) 7.007 8.342 ( -2.261 4.533 7.187) 8.793 8.711 ( -5.762 -4.329 -2.432) 7.606 8.927 ( 4.296 -5.924 -3.175) 7.977 9.020 ( -0.050 5.406 7.551) 9.286 9.167 ( 0.004 0.747 -1.240) 1.448 9.254 ( 2.139 0.945 -0.504) 2.392 9.985 ( 0.464 3.814 2.707) 4.700 10.390 ( 0.706 0.151 -5.441) 5.489 10.690 ( -1.847 -0.640 5.094) 5.456 11.600 ( -1.412 -1.326 -0.528) 2.008 12.120 ( -4.635 2.366 -1.801) 5.507 12.279 ( 2.278 -0.691 1.699) 2.924 12.571 ( -1.733 1.939 -1.616) 3.062 13.355 ( -0.313 0.388 1.099) 1.207 13.461 ( 0.258 0.030 -0.762) 0.805 13.662 ( 1.764 -1.140 0.916) 2.291 14.974 ( 0.424 -2.300 1.592) 2.829 15.142 ( -0.031 1.934 -0.193) 1.944 16.366 ( -1.154 0.961 -1.642) 2.225 16.627 ( 1.371 -8.336 0.544) 8.466 16.989 ( -2.022 1.062 -1.496) 2.730 17.389 ( 5.454 1.511 3.728) 6.777 17.626 ( -1.710 5.759 -1.353) 6.158 18.223 ( -1.096 -0.899 1.730) 2.236 18.298 ( 2.418 -0.585 0.193) 2.496 18.608 ( 2.061 2.761 -0.152) 3.448 22.187 ( -0.690 -0.319 0.082) 0.765 22.222 ( -1.427 -1.006 -0.905) 1.967 26.515 ( 2.112 1.099 0.968) 2.570 26.825 ( -1.009 -1.079 -0.675) 1.624 28.156 ( -0.645 0.098 0.379) 0.755 28.211 ( 1.345 0.331 0.571) 1.498 29.105 ( -0.836 2.127 -1.297) 2.628 29.531 ( -5.634 -3.159 9.578) 11.552 29.569 ( 4.020 -2.621 -10.553) 11.593 30.036 ( -2.655 3.586 1.241) 4.631 30.589 ( -1.080 -3.291 -1.531) 3.786 32.215 ( 0.102 5.173 2.795) 5.880 34.000 ( 5.468 2.225 2.701) 6.492 34.151 ( -8.267 0.602 -4.716) 9.537 34.643 ( 5.363 0.850 2.527) 5.989 35.472 ( -2.033 -1.571 -2.807) 3.806 ======================= Grid point 4 (5/160) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -0.499 3.075 0.460) 3.149 1.818 ( -0.830 -4.432 0.054) 4.509 2.031 ( 9.092 -3.632 5.052) 11.018 2.265 ( -2.477 -10.125 -0.545) 10.438 2.438 ( 1.709 7.078 -7.042) 10.129 2.890 ( -5.083 1.433 1.804) 5.581 3.025 ( 3.394 3.781 0.232) 5.086 3.133 ( -1.364 1.737 0.606) 2.290 3.892 ( 5.386 -0.742 1.639) 5.678 3.982 ( -1.367 1.656 -2.928) 3.631 4.012 ( -3.033 -3.277 1.030) 4.582 4.136 ( -1.879 -0.850 0.813) 2.217 4.252 ( 4.071 0.867 1.043) 4.291 4.660 ( -1.532 -11.705 2.767) 12.125 4.786 ( 3.343 -0.414 2.862) 4.420 4.956 ( -0.972 -0.333 -2.323) 2.540 5.137 ( 4.113 3.872 1.992) 5.990 5.372 ( 4.682 -1.964 1.287) 5.238 5.476 ( -6.529 0.296 -3.557) 7.441 5.774 ( 2.498 5.126 1.837) 5.991 5.802 ( -3.594 1.229 0.547) 3.838 5.912 ( -2.319 4.043 -5.884) 7.506 6.213 ( 1.240 -2.734 4.077) 5.063 6.493 ( -2.712 2.657 -6.709) 7.709 6.544 ( 2.121 -1.617 6.394) 6.928 6.799 ( -0.498 2.359 -6.927) 7.334 6.992 ( 0.073 -0.278 2.246) 2.264 7.325 ( -0.188 -2.441 -0.579) 2.516 7.735 ( 0.336 -0.982 0.545) 1.172 8.169 ( 3.634 -1.512 -7.889) 8.817 8.251 ( -2.889 4.672 8.201) 9.871 8.710 ( -2.667 -0.423 -1.934) 3.322 8.987 ( 0.007 0.490 3.923) 3.954 9.066 ( 2.982 -5.565 -0.876) 6.374 9.149 ( -1.604 0.192 -1.930) 2.517 9.226 ( 0.600 2.893 0.700) 3.036 9.925 ( 0.816 2.834 1.227) 3.194 10.378 ( 0.348 0.160 -2.048) 2.084 10.697 ( -0.928 -0.156 1.907) 2.127 11.616 ( -0.732 -1.038 -0.304) 1.306 12.051 ( -1.537 1.563 -0.569) 2.265 12.308 ( 1.173 -0.387 0.818) 1.482 12.525 ( -0.955 0.980 -0.813) 1.592 13.352 ( -0.059 0.115 0.479) 0.497 13.460 ( 0.108 0.044 -0.319) 0.339 13.690 ( 0.606 -0.531 0.335) 0.872 15.022 ( 0.326 -1.834 0.715) 1.996 15.103 ( -0.178 1.704 -0.276) 1.735 16.345 ( -0.415 0.253 -0.653) 0.814 16.751 ( 0.222 -3.248 -0.018) 3.256 16.982 ( -0.096 -1.000 0.188) 1.022 17.405 ( 1.517 0.530 0.466) 1.673 17.516 ( -0.732 3.472 -0.115) 3.550 18.238 ( -0.421 -0.685 0.636) 1.025 18.313 ( 0.721 0.094 -0.017) 0.727 18.581 ( 0.932 1.177 0.012) 1.501 22.186 ( -0.298 -0.095 -0.010) 0.313 22.226 ( -0.459 -0.383 -0.272) 0.656 26.517 ( 0.792 0.260 0.430) 0.938 26.829 ( -0.516 -0.291 -0.339) 0.682 28.153 ( -0.286 -0.024 0.099) 0.304 28.215 ( 0.551 0.148 0.157) 0.591 29.071 ( -0.239 0.779 -0.508) 0.960 29.567 ( -2.280 -1.270 4.388) 5.106 29.600 ( 1.741 -0.951 -4.779) 5.175 29.976 ( -0.988 1.419 0.556) 1.816 30.623 ( -0.299 -1.181 -0.519) 1.324 32.153 ( 0.085 2.012 1.040) 2.267 34.007 ( 3.611 1.660 2.078) 4.485 34.082 ( -4.780 -0.387 -2.877) 5.592 34.670 ( 2.071 0.159 1.022) 2.315 35.473 ( -0.772 -0.495 -1.001) 1.358 ======================= Grid point 10 (6/160) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( 20.456 0.000 22.952) 30.744 0.514 ( 26.621 0.000 14.635) 30.378 0.901 ( 45.025 0.000 29.167) 53.647 2.139 ( -1.413 -0.000 -8.573) 8.689 2.669 ( 7.268 0.000 -2.457) 7.672 2.752 ( 4.560 0.000 4.500) 6.407 2.784 ( -4.058 -0.000 4.047) 5.731 2.960 ( 3.447 0.000 0.270) 3.458 3.741 ( -2.799 -0.000 7.360) 7.874 3.752 ( 2.298 0.000 3.368) 4.077 4.026 ( -11.571 -0.000 3.338) 12.043 4.179 ( -1.092 -0.000 1.131) 1.572 4.333 ( 4.611 0.000 -0.870) 4.692 4.600 ( 4.267 0.000 -4.670) 6.326 4.801 ( -1.343 -0.000 -4.368) 4.569 5.061 ( 2.967 0.000 -19.738) 19.959 5.092 ( 3.899 0.000 -0.067) 3.899 5.123 ( -5.702 -0.000 -1.967) 6.032 5.370 ( 3.338 0.000 6.924) 7.687 5.959 ( -0.863 -0.000 -6.710) 6.766 5.981 ( 6.691 0.000 -0.287) 6.697 6.505 ( -11.008 -0.000 -2.972) 11.402 6.525 ( 1.908 0.000 0.485) 1.969 6.612 ( 7.211 0.000 -21.534) 22.709 6.822 ( 5.512 0.000 -3.020) 6.285 6.989 ( -4.256 -0.000 -9.918) 10.792 7.065 ( -3.838 -0.000 0.265) 3.847 7.335 ( 4.469 0.000 -26.858) 27.227 7.775 ( -1.869 -0.000 17.126) 17.227 8.134 ( -0.958 -0.000 -9.595) 9.643 8.444 ( 3.384 0.000 9.624) 10.202 8.660 ( 2.361 0.000 2.617) 3.525 8.704 ( -2.319 -0.000 -5.525) 5.992 9.001 ( 2.674 0.000 8.390) 8.806 9.137 ( -12.873 -0.000 27.231) 30.120 9.444 ( -0.710 -0.000 0.626) 0.946 9.934 ( -0.539 -0.000 -1.794) 1.873 10.374 ( -0.514 -0.000 -8.431) 8.446 10.640 ( -1.080 -0.000 7.745) 7.820 11.633 ( 1.882 0.000 0.902) 2.087 11.986 ( -1.791 -0.000 0.364) 1.828 12.223 ( 1.786 0.000 2.328) 2.935 12.660 ( -0.207 -0.000 -0.333) 0.392 13.337 ( 1.510 0.000 -2.361) 2.803 13.446 ( -1.452 -0.000 0.958) 1.740 13.686 ( 1.477 0.000 -1.891) 2.399 14.927 ( -6.285 -0.000 14.455) 15.763 15.198 ( 0.324 0.000 -0.073) 0.332 16.271 ( 1.151 0.000 1.279) 1.721 16.452 ( -4.232 -0.000 -1.566) 4.512 17.275 ( 7.517 0.000 -21.798) 23.058 17.427 ( -0.449 -0.000 -0.491) 0.666 17.811 ( -0.237 -0.000 0.969) 0.997 18.247 ( -0.362 -0.000 0.274) 0.454 18.573 ( 0.538 0.000 -1.036) 1.167 18.642 ( -4.859 -0.000 11.819) 12.779 22.059 ( 2.235 0.000 1.590) 2.743 22.210 ( -0.731 -0.000 -0.418) 0.842 26.736 ( -0.952 -0.000 -0.791) 1.238 26.823 ( 4.206 0.000 -10.309) 11.135 28.179 ( -1.926 -0.000 -0.045) 1.926 28.442 ( -18.399 -0.000 43.044) 46.812 28.801 ( 1.840 0.000 -0.884) 2.042 29.308 ( 1.087 0.000 -0.404) 1.159 29.446 ( 7.958 0.000 -18.992) 20.592 30.124 ( -1.689 -0.000 -0.083) 1.691 30.331 ( 0.220 0.000 0.631) 0.668 32.442 ( -1.074 -0.000 3.537) 3.697 34.177 ( -2.144 -0.000 -4.500) 4.984 34.342 ( 4.541 0.000 2.758) 5.313 34.647 ( -0.427 -0.000 -0.285) 0.513 35.173 ( 5.843 0.000 -13.058) 14.306 ======================= Grid point 11 (7/160) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 16.691 -16.292 10.808) 25.707 0.957 ( 17.495 -17.966 9.739) 26.901 1.470 ( 33.674 -14.323 22.376) 42.893 2.031 ( -1.606 5.958 -5.567) 8.311 2.630 ( 2.733 4.036 -7.186) 8.684 2.869 ( 1.238 -7.156 16.543) 18.067 2.919 ( 5.515 -8.241 -4.817) 11.025 3.035 ( 0.884 -5.089 2.666) 5.813 3.724 ( -2.250 2.332 9.042) 9.605 3.809 ( 2.229 -1.972 3.598) 4.669 3.986 ( -11.075 -3.133 2.617) 11.803 4.175 ( -0.674 -1.095 -0.735) 1.481 4.325 ( 4.598 3.524 0.022) 5.793 4.533 ( 2.625 6.477 -4.000) 8.053 4.817 ( -0.031 1.231 -3.291) 3.513 4.941 ( 3.729 6.190 -1.315) 7.345 5.021 ( -6.798 -1.902 -10.333) 12.515 5.248 ( 1.199 -7.340 0.705) 7.471 5.417 ( 2.823 -0.306 8.771) 9.219 5.936 ( -0.288 -0.386 -3.973) 4.002 6.045 ( 4.778 0.478 -0.665) 4.847 6.352 ( -10.105 5.433 -1.085) 11.524 6.399 ( 2.881 10.703 -7.732) 13.514 6.585 ( 0.946 1.764 -3.091) 3.682 6.795 ( 3.893 6.619 -10.626) 13.110 6.936 ( -3.252 -1.463 -7.688) 8.474 7.045 ( -1.948 3.853 -5.202) 6.760 7.065 ( -0.656 2.077 -9.621) 9.865 7.712 ( 6.554 4.609 16.984) 18.779 8.269 ( -2.913 -4.059 -5.698) 7.578 8.464 ( -0.204 2.476 6.989) 7.418 8.614 ( -1.150 2.250 -0.590) 2.595 8.750 ( 4.786 -3.083 -1.053) 5.789 9.066 ( 0.598 -5.114 -3.600) 6.283 9.212 ( -4.281 -1.383 13.319) 14.059 9.386 ( -0.090 5.409 0.461) 5.430 9.964 ( -2.494 -3.742 2.092) 4.960 10.356 ( -0.030 -1.451 -9.280) 9.393 10.662 ( -1.992 -0.589 8.590) 8.838 11.616 ( 1.169 2.359 0.700) 2.724 12.064 ( -7.936 -6.065 -2.695) 10.345 12.256 ( 2.781 -0.628 3.140) 4.241 12.639 ( -0.446 1.532 -0.975) 1.869 13.356 ( 0.698 -0.916 -1.603) 1.974 13.441 ( -2.022 -0.614 0.358) 2.144 13.669 ( 3.004 1.680 0.156) 3.446 14.922 ( -1.627 -0.006 6.465) 6.667 15.194 ( 0.291 0.704 -0.125) 0.772 16.331 ( 1.247 -4.411 1.458) 4.810 16.407 ( -4.702 -0.125 -2.492) 5.323 17.127 ( 3.157 7.828 -8.241) 11.797 17.482 ( 2.491 -1.003 1.543) 3.097 17.785 ( -0.784 2.510 0.264) 2.643 18.231 ( -0.641 1.517 2.129) 2.692 18.364 ( 7.862 8.938 5.497) 13.112 18.691 ( 0.286 0.202 -0.200) 0.403 22.118 ( -1.493 -2.366 -0.505) 2.843 22.208 ( -0.020 -0.504 0.251) 0.563 26.652 ( 3.707 7.070 -0.792) 8.022 26.775 ( 1.128 -0.221 -0.599) 1.297 28.159 ( -2.258 0.171 -0.027) 2.265 28.286 ( 2.574 5.753 9.626) 11.506 29.099 ( -11.514 -10.040 1.340) 15.336 29.346 ( -1.893 -4.429 3.545) 5.981 29.462 ( 4.352 -1.982 -11.110) 12.096 30.143 ( -6.334 -0.495 0.773) 6.400 30.387 ( -0.396 -5.790 -1.887) 6.103 32.416 ( -1.447 3.367 4.985) 6.187 34.106 ( 1.593 4.047 -1.659) 4.655 34.248 ( 4.280 6.300 1.300) 7.726 34.676 ( 1.481 -0.487 -0.060) 1.560 35.309 ( -3.033 -8.557 -7.460) 11.750 ======================= Grid point 12 (8/160) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 6.344 -11.242 6.547) 14.474 1.406 ( 13.060 -14.554 5.014) 20.188 1.909 ( 2.438 1.527 2.757) 3.984 1.959 ( 17.255 -6.780 5.816) 19.430 2.550 ( -1.559 1.159 -13.517) 13.656 2.959 ( 3.125 0.290 2.337) 3.913 3.131 ( -4.521 -2.697 7.850) 9.452 3.175 ( 8.161 -6.819 6.772) 12.608 3.749 ( 1.079 -5.042 8.815) 10.212 3.869 ( -0.600 -2.799 2.938) 4.102 3.956 ( -4.196 0.564 -1.059) 4.364 4.210 ( -1.065 -3.578 0.040) 3.734 4.266 ( 0.664 5.745 1.279) 5.923 4.436 ( 3.437 4.584 1.314) 5.878 4.754 ( 1.365 1.359 -0.127) 1.930 4.903 ( 5.083 1.919 -5.602) 7.804 5.051 ( -3.524 -7.520 -5.543) 9.985 5.365 ( -0.909 -4.689 -2.155) 5.240 5.484 ( 5.089 0.810 13.953) 14.875 5.897 ( -0.811 1.649 -7.880) 8.091 5.995 ( 2.181 7.780 4.514) 9.256 6.171 ( -7.430 5.251 -4.305) 10.065 6.240 ( -3.276 4.987 -3.890) 7.122 6.540 ( 0.590 1.813 0.706) 2.033 6.631 ( 0.603 6.571 -10.572) 12.462 6.887 ( -0.776 0.822 -11.449) 11.504 7.001 ( -0.098 0.048 0.094) 0.144 7.085 ( -4.100 -5.555 -5.810) 9.023 7.746 ( 6.616 2.512 11.374) 13.396 8.236 ( 0.109 3.037 -4.478) 5.412 8.418 ( -2.344 2.970 5.021) 6.287 8.597 ( -2.121 -1.922 -0.329) 2.881 8.850 ( 5.058 -4.217 -4.782) 8.138 9.151 ( -0.840 -2.195 -0.578) 2.420 9.167 ( -1.986 5.601 8.080) 10.030 9.305 ( 2.714 3.034 0.353) 4.086 10.013 ( -1.918 -1.616 2.891) 3.827 10.361 ( 0.892 -1.526 -8.068) 8.259 10.682 ( -2.880 -0.550 7.680) 8.221 11.581 ( -0.775 1.184 -0.214) 1.431 12.068 ( -6.781 -2.007 -2.592) 7.532 12.303 ( 3.722 -0.381 3.300) 4.989 12.593 ( -1.054 2.212 -1.569) 2.910 13.364 ( 0.420 0.193 0.276) 0.538 13.439 ( -2.186 -0.976 -1.000) 2.594 13.676 ( 2.795 0.222 0.784) 2.911 14.946 ( -0.203 -1.495 3.026) 3.381 15.174 ( 0.067 1.481 -0.213) 1.498 16.347 ( -4.091 -0.155 -2.615) 4.858 16.484 ( 1.407 -7.954 1.458) 8.208 17.002 ( -0.657 4.143 -4.776) 6.356 17.504 ( 4.666 2.334 3.857) 6.488 17.711 ( -0.947 4.616 0.099) 4.713 18.214 ( -0.793 0.359 2.365) 2.520 18.340 ( 5.512 2.134 1.596) 6.122 18.669 ( 1.029 2.242 -0.880) 2.619 22.128 ( -2.936 -1.500 -1.816) 3.764 22.229 ( 1.634 -0.481 1.573) 2.319 26.579 ( 2.512 3.579 0.418) 4.393 26.793 ( -0.357 -1.215 -0.520) 1.369 28.142 ( -2.063 -0.177 -0.384) 2.106 28.262 ( 3.276 2.384 3.444) 5.318 29.110 ( -3.978 -0.240 -1.924) 4.425 29.437 ( -4.027 -5.280 5.879) 8.869 29.507 ( 2.636 -3.080 -7.863) 8.846 30.076 ( -4.608 2.716 1.512) 5.559 30.487 ( -0.970 -5.686 -2.041) 6.119 32.334 ( -1.008 5.770 4.711) 7.517 34.062 ( -0.835 0.835 -1.288) 1.747 34.166 ( 3.195 5.929 0.656) 6.767 34.693 ( 2.648 0.271 -0.209) 2.670 35.387 ( -2.504 -4.588 -3.756) 6.436 ======================= Grid point 13 (9/160) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -0.781 2.238 1.839) 3.000 1.695 ( 3.963 -8.354 -1.392) 9.350 2.017 ( 3.872 -9.091 7.177) 12.212 2.133 ( 8.253 -0.314 4.056) 9.201 2.476 ( -0.176 0.325 -16.808) 16.812 2.932 ( -1.943 4.712 1.874) 5.431 3.089 ( -3.566 3.294 3.687) 6.096 3.258 ( 6.127 4.843 5.138) 9.348 3.903 ( -1.837 -3.312 3.706) 5.299 3.930 ( 1.840 -0.111 -2.716) 3.282 3.965 ( 2.240 -6.086 4.237) 7.746 4.156 ( -0.498 4.463 1.178) 4.643 4.318 ( 4.038 -3.963 0.874) 5.725 4.443 ( 0.737 -4.753 6.076) 7.750 4.784 ( 0.235 -2.004 0.945) 2.228 4.900 ( 1.308 -0.900 -7.055) 7.232 5.174 ( 3.692 -6.335 -3.510) 8.129 5.388 ( -3.285 -0.193 -2.204) 3.961 5.518 ( 5.455 5.396 12.589) 14.743 5.846 ( -0.323 2.248 -0.998) 2.481 5.889 ( 1.901 5.164 6.113) 8.224 5.945 ( -10.739 7.648 -10.077) 16.594 6.189 ( 0.577 -1.508 4.503) 4.783 6.460 ( -2.720 2.482 -15.594) 16.023 6.596 ( 3.148 0.589 9.538) 10.062 6.820 ( -0.388 2.004 -9.296) 9.518 7.001 ( -1.021 -0.580 -0.735) 1.386 7.159 ( -3.447 -7.265 -7.209) 10.799 7.780 ( 4.469 1.883 7.103) 8.601 8.177 ( 2.282 1.686 -6.316) 6.924 8.350 ( -2.410 4.422 6.010) 7.841 8.634 ( -2.166 -3.389 -1.009) 4.147 8.948 ( 1.334 -5.546 -3.828) 6.869 9.070 ( -0.062 4.457 7.396) 8.635 9.143 ( -1.416 1.329 -1.876) 2.700 9.296 ( 2.899 2.105 0.596) 3.632 10.004 ( -0.222 2.613 2.520) 3.637 10.366 ( 0.971 -0.612 -5.380) 5.501 10.690 ( -2.505 -0.404 5.010) 5.616 11.570 ( -1.787 -1.399 -0.861) 2.428 12.038 ( -4.189 -0.378 -1.666) 4.524 12.339 ( 3.504 0.826 2.606) 4.444 12.540 ( -0.873 1.713 -1.235) 2.285 13.361 ( 0.196 0.523 0.984) 1.131 13.437 ( -2.142 -1.059 -1.673) 2.917 13.698 ( 1.953 -0.046 0.739) 2.088 14.989 ( 0.171 -2.111 1.494) 2.591 15.139 ( -0.182 2.082 -0.333) 2.117 16.322 ( -2.882 -0.959 -2.149) 3.721 16.652 ( 0.969 -7.432 1.794) 7.706 16.939 ( -1.775 -0.126 -4.091) 4.462 17.489 ( 3.426 3.682 2.125) 5.460 17.610 ( 0.410 5.792 1.926) 6.117 18.219 ( -0.884 -0.705 1.615) 1.971 18.347 ( 3.844 1.553 0.398) 4.165 18.623 ( 0.124 2.654 -0.889) 2.801 22.129 ( -3.147 -1.834 -2.089) 4.199 22.255 ( 2.608 0.160 2.112) 3.360 26.545 ( 0.989 1.872 0.288) 2.136 26.810 ( -0.386 -1.090 -0.313) 1.198 28.133 ( -1.783 -0.615 -0.559) 1.967 28.255 ( 2.863 1.896 1.584) 3.781 29.076 ( -1.780 0.602 -1.460) 2.379 29.514 ( -2.553 -3.793 4.338) 6.302 29.558 ( 1.464 -2.808 -5.173) 6.066 30.002 ( -2.647 2.310 1.118) 3.686 30.568 ( -0.517 -4.011 -1.175) 4.211 32.232 ( -0.484 5.419 2.982) 6.204 34.021 ( -5.127 0.851 -3.250) 6.130 34.114 ( 6.206 3.355 3.422) 7.841 34.697 ( 1.341 0.950 -1.478) 2.211 35.432 ( -1.228 -2.799 -1.100) 3.248 ======================= Grid point 14 (10/160) ======================= q-point: ( 0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -0.809 2.391 -0.738) 2.630 1.823 ( 2.728 -4.712 -1.653) 5.690 2.074 ( -5.319 7.409 -2.917) 9.576 2.237 ( -2.581 -7.521 7.285) 10.783 2.477 ( 9.753 0.590 -9.133) 13.375 2.813 ( -7.807 1.190 2.692) 8.343 3.058 ( 4.451 0.455 -0.286) 4.484 3.191 ( 3.221 6.078 4.978) 8.491 3.873 ( -5.961 2.139 1.274) 6.460 3.945 ( 0.362 -1.493 -0.341) 1.574 4.083 ( -1.737 -3.374 0.016) 3.795 4.130 ( 8.544 2.624 0.674) 8.964 4.331 ( 4.938 4.872 1.410) 7.078 4.624 ( -3.206 -9.476 -1.531) 10.120 4.799 ( -3.815 0.194 0.750) 3.892 4.891 ( -2.706 -0.043 -5.015) 5.699 5.219 ( 3.689 6.183 -0.463) 7.214 5.402 ( 0.195 -2.741 0.994) 2.922 5.477 ( 5.185 1.476 4.000) 6.713 5.720 ( -5.472 3.548 -0.391) 6.533 5.842 ( 2.292 -0.019 5.707) 6.150 5.879 ( -1.141 -0.291 0.531) 1.292 6.228 ( -0.698 1.361 -2.338) 2.794 6.425 ( 1.042 -4.213 -4.911) 6.554 6.593 ( 0.137 3.154 1.947) 3.709 6.797 ( 1.478 -1.000 3.501) 3.930 6.997 ( -0.614 -0.162 -2.758) 2.830 7.230 ( -4.643 -5.745 -9.820) 12.288 7.789 ( 2.626 1.998 4.979) 5.973 8.172 ( 2.063 -1.394 -4.419) 5.072 8.259 ( -1.913 5.172 4.873) 7.359 8.685 ( 0.343 -3.565 0.011) 3.582 9.013 ( -1.222 1.661 5.038) 5.444 9.080 ( 1.956 -2.224 -5.512) 6.257 9.110 ( -1.664 -2.949 -0.361) 3.405 9.248 ( 0.921 4.419 1.270) 4.690 9.939 ( 0.130 4.154 1.013) 4.278 10.369 ( 0.065 -0.666 -1.589) 1.724 10.696 ( -0.670 -0.364 1.440) 1.629 11.597 ( -1.154 -2.505 -0.713) 2.849 12.024 ( -1.357 -1.204 -0.535) 1.891 12.334 ( 1.196 2.224 0.774) 2.641 12.524 ( 0.907 -0.215 0.302) 0.980 13.355 ( 0.148 0.441 0.419) 0.626 13.437 ( -2.099 -1.143 -1.274) 2.708 13.705 ( 0.907 0.741 0.335) 1.218 15.029 ( 0.021 -1.208 0.483) 1.302 15.099 ( -0.167 1.424 -0.299) 1.465 16.325 ( -1.450 -1.515 -0.969) 2.310 16.757 ( 0.019 -2.488 2.241) 3.348 16.943 ( -2.238 -2.368 -5.169) 6.111 17.452 ( 2.142 2.155 1.911) 3.589 17.527 ( 1.509 4.556 2.209) 5.284 18.233 ( -0.786 -0.812 0.912) 1.452 18.340 ( 2.722 1.909 -0.239) 3.333 18.574 ( -1.380 1.505 -0.818) 2.200 22.137 ( -2.593 -2.036 -1.834) 3.773 22.274 ( 3.022 0.897 2.167) 3.825 26.520 ( -0.393 1.131 -0.315) 1.238 26.827 ( 0.284 -0.846 0.195) 0.914 28.133 ( -1.417 -0.901 -0.625) 1.792 28.243 ( 1.988 1.778 0.849) 2.799 29.059 ( -0.830 -0.284 -0.416) 0.970 29.564 ( 0.542 -1.691 -1.183) 2.133 29.595 ( -0.723 -1.448 0.963) 1.883 29.966 ( -0.712 0.268 0.271) 0.808 30.618 ( -0.027 -1.825 -0.248) 1.842 32.157 ( -0.283 2.626 0.913) 2.795 33.959 ( -3.911 0.470 -2.527) 4.680 34.141 ( 5.915 0.337 4.188) 7.255 34.663 ( -1.722 1.688 -3.173) 3.986 35.469 ( 0.156 -1.664 0.812) 1.858 ======================= Grid point 15 (11/160) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -0.119 -3.441 -1.189) 3.643 1.731 ( -9.481 16.548 -5.795) 19.932 1.954 ( 3.819 -3.306 -0.598) 5.086 2.304 ( -0.489 8.361 6.286) 10.472 2.454 ( -0.182 -4.370 0.780) 4.443 2.880 ( -4.409 -10.887 -4.444) 12.559 3.008 ( 1.679 9.240 1.758) 9.554 3.207 ( 5.868 -1.287 1.800) 6.271 3.843 ( -0.961 -2.501 4.145) 4.935 3.972 ( -0.409 -1.418 -2.159) 2.615 4.068 ( 0.740 4.835 -3.971) 6.300 4.115 ( -2.944 1.208 1.699) 3.608 4.248 ( 3.075 5.840 0.634) 6.631 4.626 ( -1.803 6.540 -6.079) 9.109 4.723 ( -1.809 4.295 0.207) 4.665 4.925 ( -3.569 -9.620 -2.099) 10.473 5.097 ( -0.674 7.707 -1.625) 7.905 5.329 ( -1.438 3.800 1.416) 4.302 5.599 ( 4.751 0.012 4.853) 6.792 5.732 ( -1.892 -7.328 0.079) 7.568 5.828 ( 0.568 3.102 -0.733) 3.237 6.028 ( 4.976 -11.638 9.392) 15.761 6.171 ( -0.520 1.291 -3.115) 3.412 6.400 ( -3.717 2.455 -12.437) 13.210 6.639 ( 4.042 -3.037 12.230) 13.234 6.853 ( 0.578 -1.427 2.079) 2.587 6.991 ( 1.254 0.145 1.596) 2.035 7.229 ( -5.940 -2.577 -10.958) 12.728 7.775 ( 2.194 3.493 3.914) 5.686 8.169 ( -3.022 2.924 7.664) 8.742 8.244 ( 2.894 -4.835 -7.177) 9.125 8.775 ( 3.402 -3.401 2.003) 5.211 8.966 ( -0.678 2.623 -2.217) 3.501 9.014 ( -2.535 4.529 -1.046) 5.295 9.172 ( 0.225 1.271 0.848) 1.545 9.225 ( 0.267 -2.346 0.431) 2.400 9.901 ( -1.158 -1.493 -0.948) 2.114 10.384 ( -0.329 -1.104 1.481) 1.876 10.698 ( 0.659 0.273 -1.418) 1.588 11.622 ( 0.109 -0.435 -0.111) 0.462 12.074 ( 0.997 -4.305 0.347) 4.433 12.292 ( -0.446 2.202 -0.335) 2.271 12.556 ( 1.739 -1.558 1.130) 2.594 13.351 ( 0.275 0.110 -0.482) 0.565 13.440 ( -1.872 -1.125 -0.406) 2.221 13.684 ( -0.001 1.825 -0.129) 1.829 15.012 ( -0.394 2.275 -0.560) 2.376 15.107 ( 0.101 -1.769 0.133) 1.777 16.347 ( -0.452 -1.659 0.193) 1.730 16.750 ( -0.404 4.622 1.685) 4.936 16.945 ( -1.934 -2.767 -4.506) 5.630 17.414 ( 1.124 5.466 2.275) 6.027 17.536 ( 1.048 -4.833 0.683) 4.993 18.236 ( -0.295 0.219 0.024) 0.368 18.318 ( 1.231 2.026 -0.416) 2.406 18.552 ( -2.132 -1.047 -0.513) 2.430 22.152 ( -1.623 -1.802 -1.300) 2.752 22.281 ( 2.862 1.467 1.878) 3.724 26.496 ( -1.152 0.531 -0.686) 1.442 26.843 ( 0.731 -0.158 0.489) 0.894 28.140 ( -0.980 -0.908 -0.665) 1.492 28.226 ( 1.015 1.469 0.493) 1.853 29.073 ( -0.242 -1.663 0.353) 1.717 29.576 ( 3.942 0.706 -7.481) 8.486 29.603 ( -3.411 0.602 7.809) 8.543 29.987 ( 0.760 -2.473 -0.498) 2.635 30.633 ( 0.378 0.459 0.491) 0.771 32.143 ( -0.282 -1.380 -0.679) 1.564 33.930 ( -3.145 -0.834 -1.789) 3.713 34.217 ( 7.605 -1.330 5.057) 9.229 34.591 ( -5.370 1.593 -4.480) 7.173 35.499 ( 1.028 -0.562 1.706) 2.070 ======================= Grid point 16 (12/160) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -10.099 17.364 -4.777) 20.647 1.395 ( 0.332 4.581 -1.223) 4.753 1.952 ( 2.051 9.062 -0.088) 9.292 2.090 ( 0.020 11.223 4.582) 12.122 2.607 ( -1.376 -8.566 4.616) 9.827 2.806 ( -3.192 9.414 -5.276) 11.254 3.018 ( -1.302 -5.205 -2.310) 5.842 3.235 ( 3.181 2.493 -0.169) 4.045 3.878 ( 1.688 10.015 -3.273) 10.670 3.931 ( -0.728 3.632 3.300) 4.961 4.004 ( 5.007 -4.998 0.136) 7.076 4.083 ( -6.466 -2.939 -0.220) 7.106 4.236 ( 0.614 -2.226 -0.843) 2.458 4.456 ( -0.677 6.274 -1.943) 6.602 4.675 ( 1.744 0.389 -0.801) 1.958 4.888 ( -2.715 6.066 1.416) 6.795 5.122 ( -3.471 -7.326 -0.197) 8.109 5.277 ( -0.390 1.448 -2.220) 2.679 5.577 ( 2.917 5.950 2.206) 6.984 5.792 ( -0.566 -0.851 -1.537) 1.845 5.900 ( 0.571 -9.730 3.377) 10.315 6.173 ( 0.011 -1.043 4.172) 4.300 6.221 ( -0.561 0.094 -4.554) 4.590 6.400 ( 1.474 -11.453 -2.937) 11.915 6.761 ( 1.869 -2.392 14.527) 14.841 6.857 ( 0.304 -0.879 -9.120) 9.167 7.025 ( 1.696 -0.256 8.803) 8.968 7.189 ( -4.490 -1.464 -9.546) 10.650 7.703 ( 1.954 6.917 2.327) 7.555 8.164 ( -1.246 -2.287 3.552) 4.404 8.318 ( 0.313 -2.739 -4.881) 5.605 8.813 ( 5.468 4.186 0.473) 6.903 8.877 ( -4.205 4.867 2.032) 6.746 8.979 ( -0.164 -4.635 -3.413) 5.758 9.164 ( -0.606 -0.346 0.236) 0.736 9.237 ( -0.880 0.132 0.758) 1.169 9.961 ( -0.494 -4.636 -1.290) 4.837 10.410 ( -0.259 -1.020 2.427) 2.645 10.683 ( 0.633 1.233 -2.311) 2.695 11.617 ( 0.496 0.909 0.142) 1.045 12.184 ( 2.024 -5.243 0.682) 5.662 12.251 ( -0.561 1.528 -0.345) 1.664 12.605 ( 1.192 -1.913 0.903) 2.429 13.356 ( 0.560 -0.619 -0.728) 1.108 13.446 ( -1.352 -0.813 0.160) 1.586 13.640 ( -0.522 2.495 -0.379) 2.578 14.959 ( -0.286 2.599 -0.734) 2.716 15.143 ( -0.013 -1.804 0.054) 1.805 16.381 ( 0.021 -2.075 0.622) 2.167 16.607 ( -0.799 9.070 0.058) 9.105 17.007 ( 0.348 -4.694 -0.837) 4.780 17.317 ( -1.788 4.161 -0.666) 4.577 17.656 ( 0.845 -5.886 0.869) 6.010 18.228 ( 0.641 0.350 -0.790) 1.076 18.272 ( -0.885 3.081 -0.114) 3.208 18.578 ( -1.308 -3.006 -0.052) 3.279 22.169 ( -0.621 -1.212 -0.629) 1.500 22.275 ( 1.966 1.683 1.214) 2.858 26.482 ( -1.125 -0.294 -0.551) 1.286 26.842 ( 0.508 1.106 0.334) 1.262 28.147 ( -0.538 -0.696 -0.623) 1.078 28.209 ( 0.313 0.941 0.229) 1.018 29.118 ( 0.133 -3.004 0.514) 3.050 29.554 ( 6.379 2.288 -11.709) 13.529 29.571 ( -5.566 2.489 12.155) 13.598 30.060 ( 1.144 -4.569 -0.553) 4.743 30.613 ( 0.687 2.217 0.783) 2.450 32.198 ( -0.182 -4.802 -1.161) 4.944 33.926 ( -2.264 -1.284 -1.043) 2.804 34.326 ( 9.865 -0.264 5.554) 11.324 34.508 ( -8.747 -1.079 -5.127) 10.196 35.514 ( 1.073 0.447 1.576) 1.959 ======================= Grid point 17 (13/160) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 0.000 21.160 0.000) 21.160 1.165 ( 0.000 21.227 0.000) 21.227 1.577 ( 0.000 30.138 0.000) 30.138 2.022 ( -0.000 -1.769 -0.000) 1.769 2.605 ( 0.000 7.105 0.000) 7.105 2.749 ( -0.000 -4.627 -0.000) 4.627 3.009 ( 0.000 5.025 0.000) 5.025 3.159 ( 0.000 6.915 0.000) 6.915 3.727 ( 0.000 4.002 0.000) 4.002 3.841 ( 0.000 4.346 0.000) 4.346 4.138 ( -0.000 -2.921 -0.000) 2.921 4.140 ( -0.000 -6.346 -0.000) 6.346 4.231 ( 0.000 2.241 0.000) 2.241 4.472 ( -0.000 -6.775 -0.000) 6.775 4.703 ( -0.000 -2.259 -0.000) 2.259 4.822 ( 0.000 0.197 0.000) 0.197 5.184 ( -0.000 -1.940 -0.000) 1.940 5.249 ( 0.000 0.962 0.000) 0.962 5.463 ( 0.000 6.782 0.000) 6.782 5.823 ( -0.000 -2.045 -0.000) 2.045 6.106 ( -0.000 -10.180 -0.000) 10.180 6.112 ( 0.000 3.868 0.000) 3.868 6.330 ( -0.000 -9.887 -0.000) 9.887 6.557 ( -0.000 -2.783 -0.000) 2.783 6.833 ( 0.000 0.246 0.000) 0.246 6.875 ( -0.000 -4.974 -0.000) 4.974 7.086 ( -0.000 -3.334 -0.000) 3.334 7.169 ( -0.000 -0.586 -0.000) 0.586 7.571 ( 0.000 7.870 0.000) 7.870 8.236 ( -0.000 -4.495 -0.000) 4.495 8.326 ( -0.000 -0.264 -0.000) 0.264 8.761 ( 0.000 5.190 0.000) 5.190 8.777 ( 0.000 2.196 0.000) 2.196 9.078 ( -0.000 -5.771 -0.000) 5.771 9.149 ( 0.000 2.107 0.000) 2.107 9.274 ( -0.000 -4.803 -0.000) 4.803 10.011 ( -0.000 -0.464 -0.000) 0.464 10.426 ( -0.000 -0.103 -0.000) 0.103 10.653 ( 0.000 1.580 0.000) 1.580 11.607 ( 0.000 0.300 0.000) 0.300 12.223 ( 0.000 0.933 0.000) 0.933 12.283 ( -0.000 -3.504 -0.000) 3.504 12.643 ( -0.000 -1.311 -0.000) 1.311 13.378 ( -0.000 -1.422 -0.000) 1.422 13.451 ( -0.000 -0.311 -0.000) 0.311 13.588 ( 0.000 2.394 0.000) 2.394 14.911 ( 0.000 2.168 0.000) 2.168 15.172 ( -0.000 -1.264 -0.000) 1.264 16.427 ( -0.000 -2.543 -0.000) 2.543 16.435 ( 0.000 8.415 0.000) 8.415 17.070 ( -0.000 -0.460 -0.000) 0.460 17.278 ( -0.000 -2.714 -0.000) 2.714 17.756 ( -0.000 -4.050 -0.000) 4.050 18.186 ( 0.000 5.022 0.000) 5.022 18.234 ( -0.000 -0.518 -0.000) 0.518 18.633 ( -0.000 -3.079 -0.000) 3.079 22.184 ( -0.000 -0.653 -0.000) 0.653 22.255 ( 0.000 1.541 0.000) 1.541 26.489 ( -0.000 -1.075 -0.000) 1.075 26.812 ( 0.000 2.236 0.000) 2.236 28.153 ( -0.000 -0.392 -0.000) 0.392 28.198 ( 0.000 0.390 0.000) 0.390 29.186 ( -0.000 -3.847 -0.000) 3.847 29.512 ( 0.000 3.228 0.000) 3.228 29.514 ( 0.000 2.873 0.000) 2.873 30.161 ( -0.000 -5.536 -0.000) 5.536 30.566 ( 0.000 3.296 0.000) 3.296 32.300 ( -0.000 -5.926 -0.000) 5.926 33.937 ( -0.000 -1.172 -0.000) 1.172 34.334 ( 0.000 3.753 0.000) 3.753 34.535 ( -0.000 -5.494 -0.000) 5.494 35.508 ( 0.000 0.951 0.000) 0.951 ======================= Grid point 20 (14/160) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 21.490 0.000 19.081) 28.739 0.978 ( 21.114 0.000 13.641) 25.137 1.718 ( 38.834 0.000 21.713) 44.491 2.084 ( 1.492 0.000 -3.543) 3.844 2.685 ( -5.466 -0.000 -5.350) 7.649 2.785 ( 2.909 0.000 0.615) 2.973 2.850 ( 3.223 0.000 4.431) 5.479 3.031 ( 3.744 0.000 6.463) 7.469 3.768 ( -2.124 -0.000 12.260) 12.443 3.850 ( 7.435 0.000 4.421) 8.650 3.863 ( -12.614 -0.000 4.692) 13.458 4.151 ( -2.524 -0.000 -0.144) 2.528 4.410 ( 6.192 0.000 -1.505) 6.372 4.618 ( 2.598 0.000 -5.964) 6.505 4.760 ( 0.414 0.000 -3.809) 3.832 4.941 ( -4.956 -0.000 -8.781) 10.083 5.048 ( -3.453 -0.000 -1.055) 3.610 5.194 ( 7.994 0.000 1.055) 8.064 5.429 ( -1.520 -0.000 7.517) 7.669 5.870 ( -2.990 -0.000 -11.222) 11.613 6.108 ( 6.383 0.000 5.564) 8.468 6.296 ( -11.841 -0.000 -3.284) 12.288 6.531 ( -3.097 -0.000 -2.407) 3.922 6.580 ( 2.285 0.000 -10.265) 10.516 6.846 ( -0.688 -0.000 -14.209) 14.226 6.879 ( 4.678 0.000 -4.386) 6.413 7.016 ( -3.457 -0.000 2.737) 4.409 7.148 ( -4.140 -0.000 -28.664) 28.962 7.890 ( 1.142 0.000 16.941) 16.980 8.079 ( 1.815 0.000 -8.629) 8.818 8.484 ( -5.119 -0.000 4.037) 6.519 8.706 ( 5.952 0.000 -0.713) 5.994 8.731 ( 3.791 0.000 4.088) 5.575 9.068 ( -1.817 -0.000 8.535) 8.726 9.120 ( -5.424 -0.000 10.030) 11.402 9.449 ( 0.831 0.000 1.292) 1.536 9.901 ( -3.183 -0.000 0.086) 3.185 10.313 ( 1.021 0.000 -9.596) 9.650 10.668 ( -2.647 -0.000 8.609) 9.006 11.676 ( 2.632 0.000 1.036) 2.829 11.952 ( -2.847 -0.000 0.361) 2.870 12.284 ( 3.196 0.000 4.096) 5.195 12.654 ( -0.188 -0.000 -0.353) 0.400 13.347 ( 2.367 0.000 -3.559) 4.275 13.419 ( -2.867 -0.000 0.968) 3.026 13.699 ( 1.442 0.000 -1.079) 1.801 14.927 ( -2.878 -0.000 6.648) 7.244 15.202 ( 0.250 0.000 -0.190) 0.314 16.306 ( 1.885 0.000 2.076) 2.804 16.350 ( -6.833 -0.000 -2.739) 7.361 17.235 ( 1.467 0.000 -10.671) 10.772 17.433 ( 1.365 0.000 1.146) 1.782 17.802 ( -1.675 -0.000 -0.109) 1.679 18.242 ( -0.544 -0.000 0.390) 0.670 18.575 ( 0.707 0.000 -1.424) 1.590 18.647 ( -1.701 -0.000 4.808) 5.100 22.119 ( 3.488 0.000 2.476) 4.277 22.192 ( -1.115 -0.000 -0.638) 1.285 26.709 ( -1.576 -0.000 -1.251) 2.012 26.817 ( 1.683 0.000 -4.832) 5.117 28.141 ( -2.740 -0.000 -0.134) 2.743 28.447 ( -7.888 -0.000 19.150) 20.711 28.830 ( 2.682 0.000 -1.330) 2.994 29.326 ( 1.745 0.000 -0.763) 1.905 29.440 ( 2.897 0.000 -7.714) 8.240 30.090 ( -2.538 -0.000 -0.066) 2.539 30.341 ( 0.340 0.000 0.974) 1.032 32.447 ( -2.183 -0.000 5.265) 5.700 34.133 ( 0.299 0.000 -4.292) 4.303 34.421 ( 3.818 0.000 1.762) 4.205 34.636 ( -0.668 -0.000 -0.440) 0.800 35.177 ( 2.674 0.000 -5.520) 6.133 ======================= Grid point 21 (15/160) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 14.171 -7.028 10.888) 19.203 1.286 ( 15.768 -10.904 10.820) 22.013 2.018 ( 7.217 4.453 -3.229) 9.074 2.093 ( 25.829 -0.632 18.331) 31.679 2.545 ( -5.781 4.665 -8.878) 11.576 2.904 ( -1.512 -7.205 -9.274) 11.841 2.971 ( -2.167 -9.305 11.165) 14.695 3.148 ( 8.476 -5.433 9.892) 14.114 3.762 ( -3.872 0.826 11.249) 11.925 3.827 ( -4.822 -1.862 5.038) 7.218 3.923 ( 4.952 0.064 0.995) 5.051 4.156 ( -1.643 -1.680 1.251) 2.662 4.413 ( 6.996 4.332 -0.461) 8.242 4.548 ( 1.154 5.092 -2.800) 5.924 4.782 ( -1.587 2.331 -1.974) 3.442 4.866 ( -3.038 -5.153 -5.830) 8.353 5.007 ( 3.600 3.328 -1.333) 5.081 5.277 ( 1.548 -3.252 -0.373) 3.621 5.500 ( 0.560 -4.919 9.296) 10.532 5.832 ( -4.707 -1.999 -10.866) 12.009 6.151 ( -0.592 0.267 2.090) 2.188 6.187 ( -3.140 4.625 3.250) 6.467 6.337 ( -4.426 11.562 -10.949) 16.527 6.554 ( -0.771 1.062 -5.359) 5.517 6.758 ( 0.813 5.617 -14.644) 15.705 6.837 ( 0.041 3.805 -6.138) 7.222 6.968 ( -2.282 1.413 -10.540) 10.876 7.043 ( 0.382 -2.301 3.067) 3.853 7.896 ( 5.475 3.774 10.738) 12.631 8.182 ( -1.579 -5.982 -7.471) 9.700 8.434 ( -6.187 1.305 2.026) 6.640 8.654 ( 4.350 5.187 2.643) 7.268 8.834 ( 5.336 -0.796 -0.377) 5.408 9.052 ( -1.227 -4.548 0.981) 4.812 9.211 ( -5.656 -2.537 9.457) 11.307 9.405 ( 1.945 4.904 0.938) 5.358 9.930 ( -3.368 -4.792 1.236) 5.986 10.309 ( 1.876 -1.559 -8.192) 8.547 10.675 ( -3.377 -0.302 7.800) 8.505 11.645 ( 1.713 4.480 0.737) 4.853 11.964 ( -4.453 -2.847 -0.872) 5.357 12.334 ( 3.868 -0.827 4.165) 5.744 12.627 ( -0.316 2.249 -0.788) 2.404 13.364 ( 1.868 -0.818 -3.015) 3.640 13.402 ( -3.395 -0.320 0.837) 3.512 13.702 ( 1.793 0.335 -0.357) 1.858 14.933 ( -1.344 -0.656 4.020) 4.289 15.195 ( 0.040 0.782 -0.247) 0.821 16.291 ( -6.175 -0.430 -2.784) 6.788 16.377 ( 1.654 -4.936 1.973) 5.567 17.108 ( 0.882 7.733 -5.848) 9.735 17.517 ( 1.738 -3.700 1.346) 4.303 17.766 ( -1.968 1.907 -0.356) 2.764 18.230 ( -0.572 0.870 0.912) 1.384 18.477 ( 4.344 6.384 2.451) 8.101 18.683 ( -1.121 -0.769 -0.464) 1.436 22.115 ( 0.328 1.736 0.050) 1.768 22.221 ( 1.179 -2.090 1.253) 2.707 26.663 ( -0.337 3.239 -1.274) 3.497 26.790 ( 1.347 1.119 -1.202) 2.124 28.121 ( -2.422 -0.104 -0.366) 2.451 28.372 ( 0.965 5.100 7.901) 9.454 28.979 ( -4.751 -8.670 -0.623) 9.906 29.356 ( 0.905 -2.393 0.625) 2.633 29.454 ( 1.547 -1.822 -4.884) 5.438 30.072 ( -3.922 0.343 0.611) 3.984 30.383 ( 0.380 -3.860 -0.277) 3.889 32.421 ( -2.302 2.874 5.108) 6.297 34.088 ( 0.187 3.187 -3.152) 4.487 34.347 ( 5.281 7.836 2.256) 9.715 34.678 ( -0.337 -2.611 -1.406) 2.984 35.252 ( -0.347 -6.163 -3.569) 7.130 ======================= Grid point 22 (16/160) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 2.804 -2.648 4.993) 6.309 1.588 ( 9.463 -7.628 0.916) 12.189 1.999 ( 5.340 1.293 13.491) 14.567 2.268 ( 12.688 3.052 5.058) 13.996 2.414 ( -1.843 0.971 -16.741) 16.871 2.931 ( -3.199 -1.853 -7.486) 8.349 3.114 ( -5.259 -2.390 8.686) 10.432 3.352 ( 7.331 -2.841 6.804) 10.398 3.839 ( 1.188 -6.870 9.647) 11.903 3.864 ( -0.705 -3.113 3.351) 4.628 3.943 ( 2.904 0.009 -2.265) 3.683 4.157 ( -4.330 0.008 0.426) 4.351 4.367 ( 8.594 5.171 4.062) 10.822 4.484 ( 0.735 1.645 3.271) 3.734 4.750 ( -0.440 -0.528 -2.155) 2.261 4.905 ( 0.645 0.580 -6.274) 6.334 5.054 ( 6.299 -6.028 -1.258) 8.809 5.328 ( -3.437 -3.065 -0.583) 4.642 5.640 ( 3.819 -2.979 11.713) 12.675 5.795 ( -5.145 -2.295 -7.251) 9.183 6.000 ( -6.693 11.886 -9.039) 16.364 6.089 ( 1.550 6.823 7.660) 10.375 6.174 ( -1.325 0.163 2.177) 2.553 6.468 ( -1.621 4.628 -12.036) 12.996 6.664 ( 1.938 0.036 -3.329) 3.853 6.756 ( -4.226 0.506 -9.254) 10.186 6.924 ( -3.152 0.189 -5.662) 6.483 7.111 ( 3.947 -1.960 3.192) 5.442 7.896 ( 4.631 3.732 6.879) 9.093 8.191 ( -0.632 0.528 -6.135) 6.190 8.384 ( -4.262 0.398 1.859) 4.667 8.619 ( 2.829 2.156 2.598) 4.405 8.870 ( 1.675 -2.021 -5.252) 5.872 9.136 ( -0.738 -2.286 0.840) 2.545 9.170 ( -3.705 4.273 6.822) 8.861 9.356 ( 2.943 2.228 0.629) 3.745 9.997 ( -1.919 -3.199 1.734) 4.113 10.336 ( 1.951 -1.701 -5.902) 6.444 10.678 ( -3.424 -0.370 5.966) 6.889 11.571 ( -0.451 3.191 -0.258) 3.233 11.973 ( -4.013 -2.123 -1.322) 4.729 12.390 ( 4.184 -0.126 3.537) 5.481 12.571 ( -0.687 2.690 -1.175) 3.014 13.376 ( 1.249 0.207 -0.970) 1.595 13.388 ( -3.531 -1.101 -0.462) 3.728 13.714 ( 1.722 -0.056 0.222) 1.737 14.959 ( -0.327 -1.641 2.010) 2.616 15.172 ( -0.171 1.592 -0.296) 1.628 16.258 ( -4.742 -1.574 -2.540) 5.605 16.520 ( 1.639 -7.856 2.089) 8.293 16.967 ( -0.287 5.402 -3.982) 6.718 17.560 ( 1.421 1.152 0.714) 1.964 17.710 ( -0.383 3.010 1.671) 3.464 18.216 ( -0.488 0.434 1.212) 1.377 18.435 ( 5.366 3.544 1.830) 6.686 18.658 ( -1.490 1.680 -1.517) 2.710 22.089 ( -1.188 0.274 -0.989) 1.570 22.270 ( 2.003 -1.172 1.772) 2.920 26.599 ( 0.286 3.064 -0.426) 3.107 26.791 ( 0.422 -0.514 -0.197) 0.694 28.108 ( -1.813 -0.412 -0.551) 1.939 28.332 ( 2.771 3.114 2.991) 5.131 29.038 ( -3.474 -2.445 -1.693) 4.573 29.429 ( -0.632 -4.396 1.818) 4.799 29.495 ( 0.619 -2.952 -3.020) 4.268 30.023 ( -3.217 1.830 0.951) 3.822 30.471 ( -0.051 -5.133 -0.911) 5.214 32.342 ( -1.533 5.290 3.772) 6.675 34.016 ( -1.525 2.780 -2.265) 3.897 34.261 ( 5.282 6.243 2.544) 8.564 34.702 ( 0.037 -0.599 -2.391) 2.466 35.344 ( -1.002 -5.030 -1.266) 5.283 ======================= Grid point 23 (17/160) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -1.052 4.233 -0.031) 4.362 1.738 ( 3.753 -4.708 -2.033) 6.355 2.084 ( -4.304 -1.533 12.889) 13.675 2.260 ( 5.448 5.248 -0.305) 7.571 2.411 ( 6.001 -5.727 -14.149) 16.401 2.870 ( -5.535 3.942 -1.207) 6.902 3.075 ( -1.825 1.817 3.728) 4.531 3.371 ( 4.515 6.115 2.984) 8.166 3.893 ( -1.072 1.505 4.257) 4.640 3.930 ( 1.044 -0.255 -2.855) 3.051 4.029 ( -0.239 -1.905 2.613) 3.243 4.173 ( 2.188 -7.305 1.399) 7.753 4.382 ( 2.854 0.618 0.840) 3.038 4.532 ( 5.121 -0.747 4.911) 7.135 4.756 ( -2.263 -1.055 0.296) 2.514 4.871 ( 0.619 0.575 -6.029) 6.088 5.231 ( 5.215 -7.781 -2.993) 9.834 5.322 ( -4.745 0.300 1.101) 4.881 5.672 ( 3.690 7.039 5.142) 9.466 5.739 ( -6.946 3.539 -3.023) 8.361 5.841 ( -0.354 -4.335 1.460) 4.588 5.939 ( -1.329 10.468 4.616) 11.518 6.252 ( 2.230 -1.117 5.538) 6.073 6.358 ( 2.435 -0.843 -8.585) 8.964 6.665 ( 0.062 3.906 0.431) 3.930 6.738 ( -4.166 -7.549 -6.486) 10.789 6.880 ( -4.981 -1.859 -8.149) 9.730 7.171 ( 3.635 0.309 1.406) 3.910 7.873 ( 2.626 3.293 4.096) 5.875 8.161 ( 0.594 0.247 -4.532) 4.578 8.341 ( -2.252 2.859 2.392) 4.356 8.634 ( 1.238 -1.453 1.329) 2.326 8.928 ( -0.774 -6.039 -2.018) 6.414 9.082 ( -1.998 3.274 0.190) 3.840 9.135 ( 0.592 2.272 2.281) 3.273 9.337 ( 1.861 3.048 0.427) 3.597 10.013 ( -0.291 1.579 1.510) 2.204 10.351 ( 0.830 -0.538 -3.184) 3.334 10.682 ( -1.851 -0.775 3.030) 3.634 11.540 ( -1.273 -1.049 -0.729) 1.803 11.980 ( -2.281 -1.706 -0.899) 2.987 12.404 ( 2.467 2.773 1.790) 4.120 12.531 ( 0.242 0.533 -0.274) 0.646 13.371 ( -0.089 0.725 1.431) 1.607 13.387 ( -2.079 -1.520 -2.443) 3.550 13.725 ( 1.102 0.297 0.312) 1.183 14.998 ( 0.003 -2.029 0.852) 2.200 15.133 ( -0.226 2.143 -0.296) 2.175 16.263 ( -2.693 -2.644 -1.658) 4.122 16.685 ( 1.385 -6.869 2.776) 7.537 16.885 ( -1.565 1.016 -4.321) 4.707 17.513 ( 0.256 3.489 -0.368) 3.518 17.657 ( 1.851 4.662 3.252) 5.978 18.217 ( -0.467 -0.470 0.891) 1.111 18.416 ( 4.341 3.231 0.931) 5.491 18.598 ( -2.188 2.415 -1.467) 3.574 22.083 ( -1.465 -1.163 -1.084) 2.162 22.305 ( 1.993 -0.315 1.559) 2.550 26.549 ( -0.184 2.251 -0.284) 2.276 26.810 ( 0.267 -1.112 0.099) 1.148 28.105 ( -1.198 -0.757 -0.478) 1.496 28.305 ( 2.121 2.656 1.139) 3.585 29.040 ( -1.592 -0.751 -0.961) 2.006 29.510 ( -0.246 -3.894 0.506) 3.935 29.548 ( -0.122 -2.955 -0.896) 3.090 29.975 ( -1.549 1.368 0.562) 2.141 30.558 ( -0.090 -4.228 -0.532) 4.263 32.239 ( -0.646 5.415 1.850) 5.758 33.950 ( -2.182 1.932 -1.679) 3.363 34.221 ( 4.515 2.838 2.991) 6.114 34.679 ( -0.938 1.792 -3.122) 3.720 35.419 ( -0.294 -3.719 0.347) 3.746 ======================= Grid point 24 (18/160) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -0.459 1.863 -0.573) 2.003 1.860 ( 2.446 -7.100 -1.344) 7.629 1.959 ( -4.362 12.707 -1.963) 13.577 2.265 ( -0.635 -3.209 5.814) 6.671 2.557 ( 9.171 -5.025 -10.330) 14.699 2.693 ( -10.022 6.138 5.079) 12.803 3.152 ( 4.609 -5.953 1.679) 7.714 3.244 ( 0.696 9.513 1.484) 9.653 3.843 ( -0.958 2.375 3.986) 4.738 3.932 ( -0.076 -0.868 -3.293) 3.406 4.035 ( -2.048 -1.208 -0.867) 2.531 4.239 ( 2.783 5.361 0.974) 6.118 4.431 ( 5.628 7.047 1.926) 9.221 4.570 ( -1.997 -10.728 -0.793) 10.941 4.717 ( -4.220 2.342 -2.167) 5.290 4.828 ( -1.855 3.115 -2.320) 4.304 5.233 ( 0.177 4.020 -0.571) 4.064 5.471 ( 4.610 -8.829 0.977) 10.008 5.552 ( 1.322 10.638 2.462) 10.999 5.650 ( -3.124 -0.161 0.440) 3.159 5.850 ( -2.261 -2.206 -0.510) 3.199 5.915 ( 1.639 -3.655 4.734) 6.201 6.199 ( 0.097 3.246 -2.374) 4.022 6.415 ( 0.279 2.407 -3.246) 4.051 6.651 ( 3.846 -1.825 7.109) 8.287 6.838 ( 0.516 -1.497 1.197) 1.985 6.894 ( -5.850 -10.300 -8.069) 14.333 7.153 ( 0.029 2.533 -2.757) 3.744 7.846 ( 1.171 2.360 2.267) 3.475 8.172 ( 0.708 -2.345 -1.884) 3.090 8.259 ( -0.888 5.019 1.959) 5.461 8.705 ( 1.078 -4.689 0.612) 4.850 8.998 ( -1.870 1.155 0.332) 2.223 9.084 ( 0.972 4.156 -0.519) 4.300 9.097 ( -0.071 -8.375 -0.563) 8.394 9.263 ( 0.270 5.281 0.447) 5.307 9.944 ( -0.067 5.163 0.403) 5.179 10.361 ( -0.031 -1.105 -0.566) 1.242 10.696 ( -0.214 -0.633 0.513) 0.843 11.579 ( -0.571 -3.310 -0.389) 3.381 12.006 ( -0.536 -2.795 -0.217) 2.854 12.349 ( 0.400 3.757 0.237) 3.786 12.545 ( 0.949 -1.007 0.480) 1.465 13.360 ( 0.093 0.667 0.197) 0.702 13.398 ( -1.369 -1.629 -0.801) 2.274 13.717 ( 0.382 1.282 0.116) 1.343 15.030 ( -0.068 -0.654 0.147) 0.674 15.095 ( -0.060 1.071 -0.125) 1.080 16.299 ( -0.908 -2.788 -0.532) 2.979 16.789 ( 1.249 -1.664 4.191) 4.679 16.867 ( -2.317 -1.719 -5.650) 6.344 17.478 ( 0.561 -0.479 0.498) 0.890 17.570 ( 1.292 6.872 1.662) 7.187 18.228 ( -0.325 -0.668 0.381) 0.835 18.381 ( 2.153 3.276 0.125) 3.922 18.540 ( -1.720 1.395 -0.728) 2.331 22.102 ( -0.900 -1.992 -0.665) 2.285 22.320 ( 1.340 0.511 0.941) 1.716 26.509 ( -0.411 1.623 -0.286) 1.698 26.835 ( 0.279 -1.155 0.189) 1.203 28.114 ( -0.604 -0.956 -0.294) 1.169 28.272 ( 0.926 2.335 0.385) 2.541 29.045 ( -0.490 -1.016 -0.161) 1.140 29.567 ( 1.139 -1.981 -2.233) 3.195 29.591 ( -1.144 -1.686 2.181) 2.985 29.959 ( -0.238 -0.469 0.050) 0.529 30.618 ( 0.043 -2.196 -0.048) 2.197 32.157 ( -0.205 2.962 0.359) 2.991 33.907 ( -1.343 0.634 -0.886) 1.730 34.244 ( 3.440 -1.094 2.734) 4.528 34.604 ( -2.084 3.727 -2.824) 5.119 35.480 ( 0.245 -2.430 0.698) 2.540 ======================= Grid point 25 (19/160) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -0.000 -2.891 -0.000) 2.891 1.623 ( 0.000 18.735 0.000) 18.735 1.999 ( -0.000 -4.620 -0.000) 4.620 2.321 ( 0.000 6.384 0.000) 6.384 2.455 ( -0.000 -0.272 -0.000) 0.272 2.814 ( -0.000 -11.901 -0.000) 11.901 3.026 ( 0.000 11.939 0.000) 11.939 3.274 ( -0.000 -1.432 -0.000) 1.432 3.875 ( -0.000 -5.256 -0.000) 5.256 3.945 ( -0.000 -1.311 -0.000) 1.311 4.039 ( 0.000 0.062 0.000) 0.062 4.106 ( 0.000 9.190 0.000) 9.190 4.278 ( 0.000 7.014 0.000) 7.014 4.585 ( 0.000 7.234 0.000) 7.234 4.718 ( 0.000 2.549 0.000) 2.549 4.881 ( -0.000 -14.161 -0.000) 14.161 5.082 ( 0.000 12.957 0.000) 12.957 5.326 ( 0.000 5.513 0.000) 5.513 5.658 ( 0.000 0.840 0.000) 0.840 5.716 ( -0.000 -10.333 -0.000) 10.333 5.826 ( 0.000 3.039 0.000) 3.039 6.124 ( -0.000 -14.819 -0.000) 14.819 6.159 ( 0.000 0.405 0.000) 0.405 6.305 ( 0.000 6.135 0.000) 6.135 6.744 ( -0.000 -3.533 -0.000) 3.533 6.836 ( 0.000 0.336 0.000) 0.336 7.059 ( -0.000 -7.371 -0.000) 7.371 7.084 ( 0.000 2.653 0.000) 2.653 7.808 ( 0.000 3.088 0.000) 3.088 8.174 ( 0.000 3.183 0.000) 3.183 8.242 ( -0.000 -4.517 -0.000) 4.517 8.814 ( -0.000 -5.645 -0.000) 5.645 8.941 ( 0.000 4.220 0.000) 4.220 8.997 ( 0.000 4.816 0.000) 4.816 9.175 ( 0.000 2.002 0.000) 2.002 9.230 ( -0.000 -2.427 -0.000) 2.427 9.887 ( -0.000 -0.812 -0.000) 0.812 10.387 ( -0.000 -1.541 -0.000) 1.541 10.699 ( 0.000 0.417 0.000) 0.417 11.622 ( -0.000 -1.038 -0.000) 1.038 12.083 ( -0.000 -5.452 -0.000) 5.452 12.288 ( 0.000 2.733 0.000) 2.733 12.576 ( -0.000 -1.716 -0.000) 1.716 13.352 ( 0.000 0.140 0.000) 0.140 13.420 ( -0.000 -1.349 -0.000) 1.349 13.685 ( 0.000 2.255 0.000) 2.255 15.006 ( 0.000 2.449 0.000) 2.449 15.108 ( -0.000 -1.765 -0.000) 1.765 16.342 ( -0.000 -2.205 -0.000) 2.205 16.756 ( 0.000 6.246 0.000) 6.246 16.906 ( -0.000 -4.782 -0.000) 4.782 17.436 ( 0.000 7.676 0.000) 7.676 17.547 ( -0.000 -5.628 -0.000) 5.628 18.233 ( 0.000 0.105 0.000) 0.105 18.329 ( 0.000 3.088 0.000) 3.088 18.529 ( -0.000 -1.256 -0.000) 1.256 22.135 ( -0.000 -1.939 -0.000) 1.939 22.311 ( 0.000 1.199 0.000) 1.199 26.483 ( 0.000 0.839 0.000) 0.839 26.851 ( -0.000 -0.306 -0.000) 0.306 28.129 ( -0.000 -0.909 -0.000) 0.909 28.237 ( 0.000 1.755 0.000) 1.755 29.071 ( -0.000 -2.003 -0.000) 2.003 29.583 ( 0.000 0.323 0.000) 0.323 29.601 ( 0.000 0.598 0.000) 0.598 29.991 ( -0.000 -2.904 -0.000) 2.904 30.638 ( 0.000 0.111 0.000) 0.111 32.138 ( -0.000 -1.109 -0.000) 1.109 33.900 ( -0.000 -0.465 -0.000) 0.465 34.323 ( -0.000 -4.601 -0.000) 4.601 34.503 ( 0.000 4.833 0.000) 4.833 35.515 ( -0.000 -1.001 -0.000) 1.001 ======================= Grid point 30 (20/160) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 9.279 0.000 8.469) 12.562 1.355 ( 21.089 0.000 13.953) 25.287 2.138 ( 15.611 0.000 -6.126) 16.770 2.370 ( 21.636 0.000 21.273) 30.342 2.514 ( -12.370 -0.000 -3.945) 12.984 2.750 ( -4.096 -0.000 -5.386) 6.767 2.878 ( -2.726 -0.000 1.412) 3.070 3.184 ( 7.890 0.000 9.758) 12.549 3.726 ( -8.681 -0.000 3.850) 9.496 3.823 ( -1.160 -0.000 10.634) 10.698 4.023 ( 10.865 0.000 3.673) 11.469 4.130 ( 0.182 0.000 1.973) 1.981 4.484 ( 3.998 0.000 -1.537) 4.283 4.595 ( -0.507 -0.000 -6.857) 6.876 4.771 ( 2.062 0.000 -0.389) 2.098 4.829 ( -3.833 -0.000 -2.754) 4.720 4.997 ( -0.911 -0.000 -2.626) 2.780 5.320 ( 6.725 0.000 1.269) 6.844 5.437 ( -4.019 -0.000 7.640) 8.632 5.742 ( -3.192 -0.000 -9.531) 10.051 6.076 ( -9.328 -0.000 -1.735) 9.488 6.281 ( 5.715 0.000 5.958) 8.256 6.358 ( -10.884 -0.000 -11.953) 16.166 6.549 ( 1.097 0.000 -6.872) 6.959 6.835 ( 5.812 0.000 -5.964) 8.327 6.867 ( -8.729 -0.000 -11.504) 14.441 6.906 ( 1.755 0.000 -13.215) 13.331 7.004 ( -0.897 -0.000 3.481) 3.595 8.006 ( 2.467 0.000 8.898) 9.234 8.076 ( 4.212 0.000 -6.131) 7.439 8.395 ( -7.630 -0.000 1.345) 7.747 8.813 ( 7.420 0.000 -0.585) 7.443 8.819 ( 4.015 0.000 3.773) 5.510 9.057 ( -6.054 -0.000 7.169) 9.383 9.105 ( -2.921 -0.000 4.707) 5.539 9.484 ( 2.146 0.000 1.493) 2.614 9.842 ( -4.109 -0.000 -0.267) 4.118 10.288 ( 2.824 0.000 -6.988) 7.537 10.671 ( -3.403 -0.000 6.623) 7.446 11.718 ( 2.074 0.000 0.585) 2.155 11.911 ( -2.546 -0.000 0.216) 2.555 12.365 ( 3.403 0.000 4.209) 5.413 12.651 ( -0.027 -0.000 -0.143) 0.145 13.349 ( -0.328 -0.000 -3.118) 3.135 13.385 ( -0.937 -0.000 0.197) 0.958 13.713 ( 1.125 0.000 -0.687) 1.319 14.927 ( -1.463 -0.000 3.450) 3.747 15.202 ( -0.088 -0.000 -0.271) 0.284 16.229 ( -6.011 -0.000 -2.522) 6.518 16.349 ( 1.819 0.000 1.986) 2.693 17.185 ( -0.435 -0.000 -5.991) 6.007 17.486 ( 3.571 0.000 3.240) 4.821 17.756 ( -3.356 -0.000 -2.187) 4.006 18.237 ( -0.468 -0.000 0.316) 0.565 18.575 ( 0.501 0.000 -1.105) 1.213 18.652 ( -0.627 -0.000 2.165) 2.254 22.171 ( -0.975 -0.000 -0.558) 1.124 22.187 ( 3.138 0.000 2.221) 3.844 26.676 ( -1.513 -0.000 -1.143) 1.896 26.811 ( 0.732 0.000 -2.539) 2.642 28.100 ( -2.240 -0.000 -0.171) 2.247 28.454 ( -3.771 -0.000 9.541) 10.259 28.860 ( 2.262 0.000 -1.162) 2.543 29.348 ( 1.673 0.000 -0.892) 1.896 29.433 ( 0.972 0.000 -3.254) 3.396 30.052 ( -2.188 -0.000 0.002) 2.188 30.352 ( 0.303 0.000 0.864) 0.916 32.444 ( -2.397 -0.000 4.444) 5.049 34.126 ( 1.600 0.000 -3.000) 3.400 34.478 ( 2.412 0.000 0.948) 2.591 34.623 ( -0.602 -0.000 -0.391) 0.718 35.181 ( 1.377 0.000 -2.596) 2.938 ======================= Grid point 31 (21/160) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 3.267 -2.714 4.598) 6.260 1.590 ( 15.980 -3.542 7.084) 17.835 2.187 ( 9.789 6.065 11.190) 16.057 2.372 ( -7.356 2.234 -8.324) 11.331 2.462 ( 11.973 5.927 1.268) 13.420 2.792 ( -5.178 -5.464 -6.606) 10.015 2.966 ( -4.304 -10.005 5.095) 12.024 3.334 ( 6.606 -5.682 7.268) 11.347 3.724 ( -4.148 -4.768 4.159) 7.566 3.853 ( -0.036 -0.804 6.270) 6.322 4.033 ( 7.359 5.088 1.455) 9.064 4.167 ( 0.887 1.009 2.409) 2.758 4.489 ( 0.628 1.204 -1.052) 1.718 4.542 ( 2.535 2.267 0.290) 3.413 4.754 ( -0.287 2.382 -1.885) 3.051 4.828 ( -0.856 -4.304 -2.633) 5.117 5.056 ( 4.846 -3.324 -1.238) 6.005 5.280 ( -1.593 3.175 2.327) 4.246 5.542 ( -1.841 -8.251 1.570) 8.598 5.717 ( -1.451 -1.007 -2.259) 2.868 6.050 ( -4.765 -4.107 -0.089) 6.292 6.149 ( -7.761 9.329 -10.702) 16.180 6.308 ( 4.794 3.892 6.493) 8.960 6.496 ( -1.702 2.739 -6.820) 7.544 6.633 ( -3.677 7.459 -12.381) 14.915 6.835 ( 2.394 4.541 -2.870) 5.881 6.900 ( -1.121 -0.626 -2.612) 2.911 7.076 ( 1.505 -4.832 1.770) 5.361 8.013 ( 3.106 3.108 4.722) 6.450 8.141 ( 1.676 -3.154 -5.480) 6.541 8.345 ( -6.090 -0.452 1.202) 6.224 8.739 ( 3.988 5.990 2.076) 7.490 8.882 ( 1.680 3.194 -1.594) 3.945 9.053 ( -0.065 -5.838 2.722) 6.442 9.178 ( -4.555 -2.788 5.089) 7.377 9.440 ( 1.529 4.765 0.606) 5.041 9.888 ( -2.506 -6.166 0.360) 6.666 10.304 ( 2.613 -1.413 -4.740) 5.594 10.666 ( -3.035 -0.105 4.828) 5.704 11.669 ( 0.942 5.804 0.252) 5.886 11.910 ( -2.226 -1.530 -0.214) 2.709 12.414 ( 3.034 -1.143 3.149) 4.520 12.620 ( -0.098 2.817 -0.362) 2.841 13.339 ( -2.186 -0.864 -2.023) 3.101 13.386 ( 0.600 -0.052 0.022) 0.603 13.721 ( 0.959 -0.223 -0.291) 1.027 14.937 ( -0.688 -0.946 1.945) 2.270 15.192 ( -0.183 0.823 -0.241) 0.877 16.190 ( -4.228 -0.921 -1.899) 4.725 16.415 ( 1.404 -4.869 1.575) 5.306 17.082 ( -0.034 7.078 -3.273) 7.798 17.566 ( 2.944 -2.283 2.616) 4.552 17.719 ( -3.180 -0.022 -1.933) 3.722 18.228 ( -0.335 0.643 0.428) 0.842 18.544 ( 3.169 2.910 1.132) 4.448 18.654 ( -2.035 0.291 -0.631) 2.150 22.117 ( -0.005 2.919 -0.150) 2.923 22.254 ( 1.514 -2.406 1.281) 3.118 26.644 ( -0.833 1.926 -0.845) 2.262 26.798 ( 0.681 0.698 -0.811) 1.269 28.087 ( -1.520 -0.225 -0.281) 1.562 28.420 ( 0.180 3.120 4.320) 5.332 28.932 ( -1.249 -4.991 -0.894) 5.222 29.373 ( 0.991 -1.934 -0.170) 2.180 29.446 ( 0.331 -1.696 -1.708) 2.430 30.030 ( -2.072 0.904 0.302) 2.280 30.389 ( 0.287 -3.262 0.118) 3.277 32.416 ( -1.804 2.642 3.140) 4.482 34.081 ( 0.792 4.303 -1.800) 4.731 34.423 ( 3.039 6.177 1.404) 7.026 34.658 ( -0.776 -2.756 -1.408) 3.190 35.237 ( 0.134 -4.924 -1.277) 5.089 ======================= Grid point 32 (22/160) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -0.110 0.885 0.977) 1.323 1.724 ( 6.414 -0.611 0.390) 6.455 2.134 ( -3.495 4.571 11.533) 12.888 2.350 ( 4.562 -1.081 0.539) 4.720 2.398 ( 5.924 5.367 -9.308) 12.269 2.806 ( -5.677 -3.250 -4.936) 8.195 3.085 ( -2.898 -2.405 3.099) 4.877 3.461 ( 2.748 -0.822 2.268) 3.657 3.886 ( 0.826 -10.319 2.586) 10.670 3.895 ( -0.150 -2.856 2.808) 4.007 4.005 ( 5.467 2.775 0.558) 6.156 4.093 ( -4.422 3.727 -0.687) 5.824 4.460 ( 0.808 2.491 0.009) 2.619 4.583 ( 6.980 -0.417 6.143) 9.307 4.736 ( 0.231 -0.654 0.094) 0.700 4.854 ( -2.657 -1.269 -5.245) 6.016 5.157 ( 7.559 -2.447 -2.646) 8.374 5.252 ( -6.581 -2.946 2.464) 7.619 5.684 ( -2.652 -8.284 -2.960) 9.188 5.746 ( 1.609 -2.150 5.139) 5.798 5.846 ( -4.825 12.813 -5.393) 14.715 6.192 ( 3.863 -2.645 9.126) 10.257 6.219 ( 1.798 6.317 4.497) 7.960 6.379 ( -0.392 3.594 -8.379) 9.125 6.504 ( -7.310 -2.023 -12.005) 14.200 6.774 ( 2.956 4.589 2.123) 5.857 6.853 ( -2.732 1.676 -2.859) 4.295 7.183 ( 2.437 -3.292 1.479) 4.355 7.972 ( 1.555 4.142 2.161) 4.924 8.153 ( -0.107 0.058 -3.056) 3.059 8.339 ( -2.082 -1.148 0.575) 2.447 8.675 ( 1.795 3.550 1.433) 4.228 8.849 ( -0.373 -0.820 -1.895) 2.098 9.139 ( 1.454 1.170 -2.440) 3.072 9.156 ( -3.095 0.460 5.321) 6.173 9.390 ( 1.089 1.759 0.237) 2.082 9.983 ( -0.755 -4.302 0.566) 4.404 10.336 ( 1.223 -1.214 -2.188) 2.785 10.664 ( -1.664 -0.498 2.335) 2.911 11.564 ( -0.217 4.472 -0.175) 4.480 11.928 ( -1.285 -1.902 -0.364) 2.324 12.458 ( 1.970 -0.029 1.625) 2.554 12.558 ( -0.244 2.917 -0.436) 2.960 13.339 ( -1.603 -1.310 -0.941) 2.274 13.387 ( 0.377 0.478 0.105) 0.618 13.732 ( 0.583 -0.261 0.024) 0.639 14.964 ( -0.139 -1.744 0.694) 1.882 15.167 ( -0.140 1.626 -0.152) 1.639 16.191 ( -1.998 -2.229 -1.027) 3.165 16.552 ( 0.852 -8.023 1.092) 8.141 16.943 ( -0.256 6.239 -1.716) 6.476 17.576 ( 0.532 2.758 0.140) 2.812 17.712 ( -0.354 -0.208 0.701) 0.812 18.216 ( -0.171 0.391 0.381) 0.572 18.524 ( 4.527 3.639 1.800) 6.081 18.608 ( -3.329 1.418 -1.776) 4.031 22.074 ( -0.276 1.218 -0.292) 1.283 22.303 ( 0.918 -1.476 0.770) 1.901 26.594 ( -0.232 2.626 -0.306) 2.654 26.798 ( 0.309 -0.321 -0.027) 0.447 28.085 ( -0.708 -0.522 -0.239) 0.912 28.377 ( 1.098 3.127 1.175) 3.516 28.992 ( -1.298 -2.864 -0.697) 3.221 29.434 ( 0.147 -3.843 0.228) 3.853 29.488 ( -0.027 -2.884 -0.596) 2.945 29.994 ( -1.135 1.504 0.301) 1.908 30.468 ( 0.065 -4.782 -0.229) 4.788 32.341 ( -0.746 4.972 1.415) 5.223 33.994 ( -0.274 4.161 -0.811) 4.249 34.333 ( 2.178 5.529 1.232) 6.069 34.681 ( -0.458 -0.450 -1.497) 1.629 35.332 ( -0.220 -5.205 -0.132) 5.211 ======================= Grid point 33 (23/160) ======================= q-point: ( 0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 0.000 4.644 0.000) 4.644 1.766 ( -0.000 -2.905 -0.000) 2.905 2.077 ( 0.000 2.924 0.000) 2.924 2.310 ( 0.000 4.777 0.000) 4.777 2.423 ( -0.000 -5.128 -0.000) 5.128 2.805 ( 0.000 2.036 0.000) 2.036 3.074 ( -0.000 -0.505 -0.000) 0.505 3.417 ( 0.000 6.512 0.000) 6.512 3.916 ( -0.000 -0.488 -0.000) 0.488 3.928 ( 0.000 5.118 0.000) 5.118 4.013 ( 0.000 0.121 0.000) 0.121 4.206 ( -0.000 -14.245 -0.000) 14.245 4.404 ( 0.000 2.695 0.000) 2.695 4.602 ( 0.000 3.715 0.000) 3.715 4.745 ( 0.000 1.156 0.000) 1.156 4.851 ( -0.000 -0.090 -0.000) 0.090 5.267 ( -0.000 -8.847 -0.000) 8.847 5.277 ( 0.000 0.091 0.000) 0.091 5.627 ( 0.000 5.015 0.000) 5.015 5.767 ( -0.000 -3.310 -0.000) 3.310 5.857 ( -0.000 -5.438 -0.000) 5.438 5.920 ( 0.000 17.965 0.000) 17.965 6.269 ( 0.000 3.920 0.000) 3.920 6.444 ( -0.000 -0.187 -0.000) 0.187 6.555 ( -0.000 -16.525 -0.000) 16.525 6.704 ( 0.000 3.540 0.000) 3.540 6.827 ( -0.000 -0.314 -0.000) 0.314 7.210 ( 0.000 1.816 0.000) 1.816 7.909 ( 0.000 3.453 0.000) 3.453 8.147 ( -0.000 -0.353 -0.000) 0.353 8.328 ( 0.000 2.057 0.000) 2.057 8.654 ( -0.000 -0.749 -0.000) 0.749 8.914 ( -0.000 -6.544 -0.000) 6.544 9.061 ( 0.000 3.597 0.000) 3.597 9.150 ( 0.000 2.054 0.000) 2.054 9.353 ( 0.000 3.465 0.000) 3.465 10.016 ( 0.000 1.181 0.000) 1.181 10.348 ( -0.000 -0.269 -0.000) 0.269 10.678 ( -0.000 -1.077 -0.000) 1.077 11.527 ( -0.000 -0.852 -0.000) 0.852 11.959 ( -0.000 -2.049 -0.000) 2.049 12.428 ( 0.000 3.878 0.000) 3.878 12.535 ( -0.000 -0.344 -0.000) 0.344 13.359 ( -0.000 -1.672 -0.000) 1.672 13.376 ( 0.000 0.848 0.000) 0.848 13.734 ( 0.000 0.365 0.000) 0.365 15.001 ( -0.000 -1.996 -0.000) 1.996 15.130 ( 0.000 2.143 0.000) 2.143 16.235 ( -0.000 -3.204 -0.000) 3.204 16.713 ( -0.000 -7.651 -0.000) 7.651 16.851 ( 0.000 2.646 0.000) 2.646 17.513 ( 0.000 3.363 0.000) 3.363 17.683 ( 0.000 3.822 0.000) 3.822 18.216 ( -0.000 -0.393 -0.000) 0.393 18.466 ( 0.000 4.443 0.000) 4.443 18.563 ( 0.000 1.716 0.000) 1.716 22.069 ( -0.000 -0.827 -0.000) 0.827 22.327 ( -0.000 -0.515 -0.000) 0.515 26.545 ( 0.000 2.351 0.000) 2.351 26.813 ( -0.000 -1.121 -0.000) 1.121 28.094 ( -0.000 -0.794 -0.000) 0.794 28.326 ( 0.000 2.915 0.000) 2.915 29.023 ( -0.000 -1.257 -0.000) 1.257 29.510 ( -0.000 -3.876 -0.000) 3.876 29.544 ( -0.000 -3.003 -0.000) 3.003 29.965 ( 0.000 1.029 0.000) 1.029 30.556 ( -0.000 -4.265 -0.000) 4.265 32.240 ( 0.000 5.370 0.000) 5.370 33.929 ( 0.000 2.364 0.000) 2.364 34.269 ( 0.000 2.290 0.000) 2.290 34.656 ( 0.000 2.513 0.000) 2.513 35.420 ( -0.000 -4.081 -0.000) 4.081 ======================= Grid point 41 (24/160) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 1.390 0.000 2.117) 2.532 1.713 ( 14.336 0.000 6.956) 15.935 2.287 ( -11.760 -0.000 -3.224) 12.194 2.376 ( 14.538 0.000 0.416) 14.544 2.660 ( -2.586 -0.000 -2.717) 3.751 2.668 ( 3.793 0.000 7.508) 8.412 2.793 ( -5.425 -0.000 -1.831) 5.725 3.334 ( 3.984 0.000 4.338) 5.890 3.659 ( -2.662 -0.000 1.768) 3.196 3.862 ( -0.215 -0.000 3.892) 3.897 4.188 ( 3.365 0.000 3.074) 4.557 4.192 ( 6.737 0.000 2.952) 7.356 4.489 ( -1.245 -0.000 -2.109) 2.449 4.521 ( -2.870 -0.000 -3.904) 4.846 4.774 ( -0.590 -0.000 -1.458) 1.573 4.791 ( -0.463 -0.000 -0.637) 0.788 5.029 ( 4.359 0.000 1.525) 4.618 5.383 ( -5.450 -0.000 0.118) 5.451 5.399 ( 2.487 0.000 0.698) 2.583 5.707 ( 1.762 0.000 1.000) 2.026 5.963 ( -3.780 -0.000 -0.581) 3.824 6.132 ( -6.950 -0.000 -8.774) 11.193 6.378 ( 2.387 0.000 2.511) 3.464 6.513 ( -0.547 -0.000 -5.201) 5.230 6.695 ( -3.456 -0.000 -3.244) 4.740 6.877 ( 0.018 0.000 -3.779) 3.779 6.881 ( 2.444 0.000 -1.457) 2.845 7.021 ( 0.402 0.000 1.444) 1.499 8.074 ( 1.220 0.000 2.552) 2.828 8.118 ( 4.139 0.000 -2.631) 4.905 8.294 ( -5.493 -0.000 0.829) 5.555 8.887 ( 2.053 0.000 1.547) 2.571 8.912 ( 7.107 0.000 -3.035) 7.728 8.995 ( -7.083 -0.000 5.354) 8.879 9.093 ( -1.301 -0.000 1.556) 2.029 9.518 ( 1.012 0.000 0.642) 1.198 9.790 ( -1.940 -0.000 -0.294) 1.962 10.295 ( 1.713 0.000 -2.616) 3.127 10.660 ( -1.746 -0.000 2.609) 3.139 11.743 ( 0.759 0.000 0.150) 0.774 11.884 ( -1.012 -0.000 0.069) 1.015 12.427 ( 1.580 0.000 1.885) 2.460 12.650 ( 0.027 0.000 -0.011) 0.029 13.312 ( -1.378 -0.000 -0.951) 1.675 13.388 ( 0.567 0.000 -0.451) 0.724 13.722 ( 0.427 0.000 -0.246) 0.493 14.928 ( -0.458 -0.000 1.103) 1.194 15.198 ( -0.132 -0.000 -0.141) 0.193 16.152 ( -2.312 -0.000 -0.985) 2.513 16.380 ( 0.775 0.000 0.841) 1.143 17.151 ( -0.402 -0.000 -2.034) 2.073 17.575 ( 4.644 0.000 4.249) 6.294 17.675 ( -4.470 -0.000 -3.821) 5.880 18.233 ( -0.182 -0.000 0.119) 0.217 18.575 ( 0.166 0.000 -0.402) 0.435 18.656 ( -0.157 -0.000 0.630) 0.649 22.157 ( -0.384 -0.000 -0.220) 0.442 22.233 ( 1.259 0.000 0.890) 1.542 26.653 ( -0.633 -0.000 -0.464) 0.784 26.807 ( 0.206 0.000 -0.815) 0.840 28.075 ( -0.847 -0.000 -0.079) 0.851 28.458 ( -1.142 -0.000 2.966) 3.178 28.879 ( 0.874 0.000 -0.460) 0.988 29.362 ( 0.729 0.000 -0.448) 0.856 29.428 ( 0.157 0.000 -0.827) 0.842 30.028 ( -0.854 -0.000 0.016) 0.854 30.360 ( 0.121 0.000 0.343) 0.364 32.437 ( -1.054 -0.000 1.702) 2.002 34.133 ( 0.866 0.000 -1.055) 1.366 34.507 ( 0.805 0.000 0.296) 0.858 34.615 ( -0.241 -0.000 -0.156) 0.287 35.184 ( 0.438 0.000 -0.777) 0.892 ======================= Grid point 42 (25/160) ======================= q-point: ( 0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -0.000 -1.819 -0.000) 1.819 1.774 ( 0.000 1.228 0.000) 1.228 2.208 ( 0.000 2.879 0.000) 2.879 2.419 ( 0.000 2.078 0.000) 2.078 2.505 ( 0.000 7.650 0.000) 7.650 2.706 ( -0.000 -2.658 -0.000) 2.658 2.946 ( -0.000 -10.696 -0.000) 10.696 3.412 ( -0.000 -4.772 -0.000) 4.772 3.710 ( -0.000 -6.407 -0.000) 6.407 3.875 ( -0.000 -0.813 -0.000) 0.813 4.137 ( 0.000 6.466 0.000) 6.466 4.157 ( 0.000 4.737 0.000) 4.737 4.479 ( 0.000 0.083 0.000) 0.083 4.582 ( -0.000 -5.276 -0.000) 5.276 4.746 ( 0.000 2.724 0.000) 2.724 4.792 ( -0.000 -1.974 -0.000) 1.974 5.114 ( -0.000 -5.380 -0.000) 5.380 5.268 ( 0.000 6.003 0.000) 6.003 5.503 ( -0.000 -7.583 -0.000) 7.583 5.733 ( -0.000 -1.157 -0.000) 1.157 6.019 ( 0.000 7.611 0.000) 7.611 6.030 ( -0.000 -8.360 -0.000) 8.360 6.386 ( 0.000 0.701 0.000) 0.701 6.434 ( 0.000 6.279 0.000) 6.279 6.556 ( 0.000 9.777 0.000) 9.777 6.856 ( 0.000 1.273 0.000) 1.273 6.875 ( 0.000 2.565 0.000) 2.565 7.097 ( -0.000 -6.019 -0.000) 6.019 8.052 ( 0.000 3.028 0.000) 3.028 8.143 ( -0.000 -0.744 -0.000) 0.744 8.295 ( -0.000 -2.087 -0.000) 2.087 8.781 ( 0.000 6.388 0.000) 6.388 8.883 ( 0.000 4.571 0.000) 4.571 9.069 ( -0.000 -6.518 -0.000) 6.518 9.155 ( -0.000 -2.761 -0.000) 2.761 9.454 ( 0.000 4.841 0.000) 4.841 9.869 ( -0.000 -6.846 -0.000) 6.846 10.311 ( -0.000 -1.338 -0.000) 1.338 10.657 ( -0.000 -0.042 -0.000) 0.042 11.677 ( 0.000 6.297 0.000) 6.297 11.893 ( -0.000 -1.253 -0.000) 1.253 12.451 ( -0.000 -1.280 -0.000) 1.280 12.619 ( 0.000 3.026 0.000) 3.026 13.312 ( -0.000 -0.709 -0.000) 0.709 13.392 ( -0.000 -0.118 -0.000) 0.118 13.727 ( -0.000 -0.371 -0.000) 0.371 14.938 ( -0.000 -1.023 -0.000) 1.023 15.189 ( 0.000 0.830 0.000) 0.830 16.151 ( -0.000 -1.038 -0.000) 1.038 16.432 ( -0.000 -4.910 -0.000) 4.910 17.070 ( 0.000 6.791 0.000) 6.791 17.620 ( 0.000 1.321 0.000) 1.321 17.665 ( -0.000 -3.574 -0.000) 3.574 18.226 ( 0.000 0.573 0.000) 0.573 18.582 ( -0.000 -0.485 -0.000) 0.485 18.627 ( 0.000 3.018 0.000) 3.018 22.116 ( 0.000 2.932 0.000) 2.932 22.271 ( -0.000 -2.287 -0.000) 2.287 26.634 ( 0.000 1.668 0.000) 1.668 26.801 ( 0.000 0.414 0.000) 0.414 28.074 ( -0.000 -0.255 -0.000) 0.255 28.436 ( 0.000 2.249 0.000) 2.249 28.921 ( -0.000 -3.548 -0.000) 3.548 29.381 ( -0.000 -1.834 -0.000) 1.834 29.443 ( -0.000 -1.653 -0.000) 1.653 30.015 ( 0.000 1.053 0.000) 1.053 30.392 ( -0.000 -3.115 -0.000) 3.115 32.412 ( 0.000 2.576 0.000) 2.576 34.082 ( 0.000 4.739 0.000) 4.739 34.452 ( 0.000 5.378 0.000) 5.378 34.645 ( -0.000 -2.509 -0.000) 2.509 35.234 ( -0.000 -4.635 -0.000) 4.635 ======================= Grid point 85 (26/160) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( -8.546 -0.000 21.708) 23.330 0.626 ( 7.669 0.000 29.402) 30.386 0.940 ( 25.556 0.000 44.879) 51.646 2.101 ( -4.069 -0.000 -4.560) 6.111 2.395 ( 7.533 0.000 -14.107) 15.993 2.705 ( 6.505 0.000 -9.708) 11.686 2.821 ( -0.142 -0.000 11.257) 11.257 3.076 ( -4.841 -0.000 10.369) 11.443 3.836 ( 7.185 0.000 10.010) 12.322 3.948 ( -4.729 -0.000 17.762) 18.380 4.052 ( 1.753 0.000 -5.154) 5.444 4.212 ( 3.545 0.000 3.197) 4.774 4.277 ( -0.885 -0.000 -1.489) 1.732 4.582 ( -10.402 -0.000 0.713) 10.427 4.782 ( -2.457 -0.000 -4.070) 4.754 4.803 ( -5.972 -0.000 -0.651) 6.007 5.097 ( -1.551 -0.000 3.210) 3.565 5.109 ( -3.227 -0.000 -9.331) 9.873 5.396 ( 7.107 0.000 9.991) 12.261 5.845 ( 5.848 0.000 -0.597) 5.878 5.883 ( -3.664 -0.000 -9.221) 9.922 6.280 ( 1.356 0.000 -6.154) 6.302 6.509 ( 0.778 0.000 0.206) 0.805 6.520 ( 5.570 0.000 -5.401) 7.759 6.728 ( -6.915 -0.000 -12.341) 14.146 6.953 ( -8.380 -0.000 -10.692) 13.585 6.978 ( -3.329 -0.000 -11.236) 11.719 7.151 ( -4.111 -0.000 2.851) 5.003 7.726 ( 14.819 0.000 15.875) 21.717 8.012 ( -0.522 -0.000 -9.063) 9.078 8.499 ( 3.838 0.000 7.563) 8.481 8.670 ( 1.523 0.000 3.289) 3.624 8.751 ( -7.069 -0.000 0.371) 7.078 9.071 ( 5.043 0.000 11.037) 12.135 9.425 ( 5.557 0.000 -5.753) 7.999 9.480 ( -0.487 -0.000 3.349) 3.384 10.128 ( -2.032 -0.000 -14.379) 14.522 10.367 ( -7.416 -0.000 -5.492) 9.229 10.880 ( -6.124 -0.000 17.119) 18.182 11.661 ( -4.931 -0.000 4.454) 6.645 11.966 ( 2.084 0.000 -3.284) 3.890 12.180 ( 3.958 0.000 -2.190) 4.524 12.654 ( -3.382 -0.000 -0.617) 3.438 13.235 ( 1.858 0.000 -7.774) 7.993 13.501 ( -1.500 -0.000 2.873) 3.241 13.558 ( 5.882 0.000 0.228) 5.887 15.203 ( -0.400 -0.000 0.721) 0.824 15.218 ( 3.019 0.000 0.903) 3.151 16.242 ( 2.049 0.000 -1.297) 2.425 16.467 ( -1.109 -0.000 -2.302) 2.556 17.109 ( -13.546 -0.000 4.489) 14.270 17.425 ( -0.340 -0.000 -0.952) 1.011 17.842 ( -0.062 -0.000 3.255) 3.255 18.235 ( 5.355 0.000 -1.432) 5.543 18.304 ( 19.314 0.000 0.735) 19.328 18.554 ( -0.687 -0.000 -1.789) 1.916 22.042 ( 1.927 0.000 0.595) 2.016 22.204 ( -1.883 -0.000 -1.272) 2.272 26.539 ( 4.259 0.000 0.297) 4.269 26.726 ( -0.243 -0.000 -1.860) 1.876 28.189 ( 0.031 0.000 -0.351) 0.353 28.364 ( 12.248 0.000 -1.433) 12.331 28.827 ( -2.631 -0.000 3.524) 4.398 29.277 ( -0.225 -0.000 -2.375) 2.385 30.174 ( -1.834 -0.000 3.462) 3.918 30.345 ( 2.284 0.000 1.595) 2.786 31.994 (-118.417 -0.000 1.231) 118.423 32.407 ( 6.668 0.000 -3.075) 7.343 34.154 ( 55.369 0.000 -0.494) 55.371 34.188 ( -5.790 -0.000 -2.763) 6.415 34.334 ( 2.526 0.000 4.265) 4.957 34.642 ( 1.247 0.000 -0.941) 1.562 ======================= Grid point 86 (27/160) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 14.555 -20.257 10.455) 27.046 0.882 ( 14.849 -10.211 23.263) 29.427 1.445 ( 16.874 -14.444 25.321) 33.683 1.987 ( -1.992 5.777 -5.163) 8.000 2.445 ( 6.587 1.526 -10.136) 12.185 2.744 ( 5.193 -9.349 -6.268) 12.396 3.025 ( 3.783 -8.568 12.930) 15.965 3.105 ( -2.559 -3.449 7.015) 8.225 3.876 ( 1.608 2.819 11.619) 12.064 3.987 ( -3.408 -0.910 14.213) 14.644 4.060 ( -1.971 -1.430 -0.463) 2.478 4.188 ( -1.880 3.090 -2.809) 4.580 4.288 ( 3.875 -0.879 2.478) 4.683 4.506 ( -7.823 2.358 -1.286) 8.272 4.752 ( 2.350 3.213 -2.176) 4.537 4.842 ( 4.058 -2.667 -3.961) 6.267 4.974 ( -2.764 3.080 -4.068) 5.803 5.214 ( -1.791 -7.373 -5.619) 9.441 5.511 ( 3.785 -1.462 12.183) 12.841 5.811 ( 1.882 0.303 -15.298) 15.416 5.929 ( 7.336 -0.639 1.536) 7.522 6.239 ( 1.276 3.462 -6.807) 7.742 6.446 ( -4.783 5.523 -1.263) 7.414 6.470 ( 3.135 4.380 -11.006) 12.253 6.677 ( -0.942 -1.462 -4.437) 4.765 6.813 ( -6.197 2.471 -14.610) 16.061 6.971 ( -4.971 -4.973 -6.019) 9.256 7.129 ( -4.721 -0.106 0.973) 4.822 7.799 ( 7.906 4.851 12.792) 15.801 8.098 ( 4.682 -5.449 -11.509) 13.567 8.540 ( 2.379 1.073 6.528) 7.030 8.658 ( -2.685 2.920 2.363) 4.617 8.721 ( 0.402 -1.426 1.692) 2.249 9.105 ( -0.135 1.512 6.446) 6.622 9.359 ( 0.173 5.968 0.228) 5.975 9.434 ( -0.889 4.520 5.288) 7.013 10.048 ( -3.031 0.141 -5.062) 5.902 10.226 ( -1.647 2.283 -4.413) 5.234 10.893 ( -4.464 -0.277 15.638) 16.265 11.638 ( -2.698 0.353 3.165) 4.174 12.056 ( -1.518 -5.311 -9.573) 11.052 12.213 ( 4.711 -0.533 -1.162) 4.881 12.628 ( -2.167 0.402 -1.329) 2.573 13.250 ( 2.928 -1.385 -8.837) 9.412 13.502 ( -2.126 -0.576 2.518) 3.346 13.599 ( 4.774 -0.006 0.072) 4.774 15.096 ( -2.400 7.083 7.584) 10.651 15.196 ( -0.230 0.755 0.562) 0.969 16.303 ( 3.021 -4.682 -0.901) 5.644 16.435 ( -3.746 0.774 -2.345) 4.487 17.078 ( -4.120 -0.171 3.832) 5.629 17.467 ( 2.087 -1.698 1.039) 2.884 17.816 ( -0.398 3.357 3.016) 4.530 18.228 ( 2.303 1.500 -1.207) 3.002 18.299 ( 8.248 5.831 4.579) 11.090 18.610 ( 2.751 -1.220 -5.133) 5.950 22.120 ( 0.790 -3.924 -1.635) 4.324 22.192 ( -1.464 -0.739 -1.815) 2.446 26.554 ( 4.919 2.290 0.059) 5.426 26.742 ( 0.055 -2.081 -2.450) 3.215 28.184 ( -1.083 -0.033 -0.451) 1.174 28.313 ( 5.441 8.150 3.265) 10.329 28.940 ( 2.407 -7.802 -6.954) 10.725 29.265 ( 0.825 0.485 -2.916) 3.069 30.039 ( -9.179 10.667 10.903) 17.802 30.329 ( -0.401 5.011 3.242) 5.982 30.843 ( -53.185 12.720 35.771) 65.345 32.432 ( 4.738 3.095 0.098) 5.660 34.051 ( 7.024 5.016 2.191) 8.905 34.220 ( -2.307 0.877 -2.111) 3.248 34.644 ( 3.127 1.082 0.114) 3.311 35.033 ( 8.648 -23.172 -20.829) 32.336 ======================= Grid point 87 (28/160) ======================= q-point: ( 0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 10.453 -15.408 4.674) 19.196 1.303 ( 13.727 -14.170 12.798) 23.516 1.819 ( 9.686 -8.360 5.553) 13.948 1.881 ( 2.712 2.171 -0.121) 3.477 2.384 ( 2.124 2.465 -12.808) 13.215 2.959 ( -1.210 -7.587 -0.353) 7.691 3.139 ( 8.832 -0.131 8.093) 11.980 3.231 ( -2.615 -3.223 2.851) 5.035 3.895 ( -0.724 -1.100 10.623) 10.704 3.982 ( -1.785 2.552 1.037) 3.283 4.053 ( -5.946 -0.085 9.491) 11.200 4.187 ( 3.211 -2.276 2.598) 4.716 4.323 ( -1.360 0.230 2.802) 3.123 4.420 ( -1.842 -0.986 1.950) 2.858 4.711 ( 2.351 0.883 -4.874) 5.483 4.797 ( 2.218 5.839 1.570) 6.440 4.988 ( 1.143 -4.147 -8.066) 9.141 5.300 ( -1.240 -5.485 -7.556) 9.419 5.579 ( 6.730 2.373 12.914) 14.755 5.782 ( -0.392 -1.374 -9.877) 9.980 5.975 ( 6.420 2.709 3.019) 7.594 6.153 ( -3.397 2.405 -9.244) 10.138 6.278 ( 0.875 9.528 -2.038) 9.783 6.397 ( -3.222 -0.687 -9.133) 9.709 6.636 ( -3.539 1.515 -0.321) 3.863 6.741 ( 1.020 0.294 -9.071) 9.133 7.010 ( -5.466 -4.729 -6.091) 9.453 7.102 ( -3.985 -1.235 -1.259) 4.357 7.801 ( 5.533 3.833 10.339) 12.337 8.119 ( 3.987 2.654 -8.281) 9.566 8.513 ( -2.692 2.922 4.131) 5.732 8.628 ( -2.635 -2.252 -1.353) 3.721 8.778 ( 1.779 -2.872 2.225) 4.045 9.109 ( 0.139 -1.401 -2.207) 2.617 9.266 ( 2.918 6.476 4.298) 8.302 9.360 ( -2.010 4.061 8.589) 9.711 10.043 ( -0.176 -0.760 -2.948) 3.049 10.187 ( 2.417 0.861 -8.914) 9.276 10.913 ( -4.862 -0.144 14.106) 14.921 11.622 ( -3.087 -0.026 2.722) 4.116 12.062 ( -2.012 -0.819 -9.001) 9.259 12.256 ( 4.990 -0.220 -0.578) 5.028 12.592 ( -2.269 1.158 -1.187) 2.810 13.259 ( 3.816 0.040 -8.460) 9.281 13.505 ( -2.671 -0.845 2.557) 3.793 13.637 ( 3.292 -0.682 0.531) 3.404 15.027 ( -1.145 1.850 5.667) 6.070 15.174 ( -0.187 1.485 0.186) 1.508 16.380 ( -4.207 0.489 -1.622) 4.535 16.447 ( 3.774 -7.654 -0.981) 8.590 17.046 ( -6.506 0.253 3.471) 7.378 17.496 ( 4.047 1.989 4.468) 6.348 17.741 ( -0.358 5.180 2.910) 5.952 18.216 ( 1.410 0.766 -1.961) 2.534 18.301 ( 3.192 0.658 3.362) 4.683 18.607 ( 2.731 1.564 -3.303) 4.562 22.156 ( -3.614 -2.138 -1.729) 4.541 22.207 ( 2.074 -0.867 -0.259) 2.263 26.545 ( 2.861 1.801 1.100) 3.555 26.772 ( -0.035 -1.820 -2.811) 3.349 28.169 ( -2.103 0.091 -0.448) 2.153 28.241 ( 3.830 4.120 1.870) 5.928 29.036 ( 1.327 -3.504 -7.783) 8.638 29.261 ( 3.205 -0.222 -5.818) 6.646 29.850 ( -9.481 4.406 12.664) 16.422 30.198 ( -3.619 6.746 4.115) 8.691 30.687 ( -16.872 -4.417 18.017) 25.076 32.371 ( 2.903 6.395 1.777) 7.244 34.041 ( 4.824 1.952 2.187) 5.644 34.157 ( -5.026 1.933 -3.444) 6.391 34.659 ( 3.021 0.193 1.523) 3.389 35.274 ( 2.367 -8.128 -12.157) 14.814 ======================= Grid point 88 (29/160) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 2.031 2.165 -1.904) 3.527 1.671 ( 1.929 -12.999 4.441) 13.871 1.970 ( 8.869 -8.121 1.816) 12.162 2.006 ( 9.437 -1.456 1.629) 9.686 2.322 ( 0.624 0.898 -11.131) 11.184 3.002 ( -5.655 -1.036 4.493) 7.297 3.149 ( -3.107 5.230 -4.971) 7.856 3.226 ( 5.198 2.655 6.127) 8.462 3.862 ( 3.741 2.416 -2.324) 5.023 4.020 ( 0.090 -2.050 7.126) 7.415 4.063 ( -4.534 -2.220 7.678) 9.190 4.219 ( -1.257 3.941 1.961) 4.577 4.290 ( -0.676 -0.792 6.878) 6.956 4.544 ( -1.936 -7.038 4.004) 8.326 4.743 ( 2.338 -3.760 -3.031) 5.366 4.773 ( 3.219 -2.125 -5.277) 6.536 5.039 ( 5.628 -1.720 -6.754) 8.958 5.373 ( -1.142 -5.523 -3.233) 6.501 5.579 ( 5.775 8.280 9.166) 13.635 5.791 ( 1.563 -0.138 -2.946) 3.338 5.937 ( 0.025 4.129 3.336) 5.308 6.002 ( -3.806 7.104 -2.034) 8.312 6.158 ( 2.604 2.623 -9.221) 9.934 6.359 ( -5.677 -2.396 -3.257) 6.970 6.665 ( 1.296 1.756 4.638) 5.126 6.698 ( 3.061 -2.198 -5.476) 6.647 7.010 ( -4.743 -1.362 -5.117) 7.108 7.117 ( -4.390 -5.035 -7.773) 10.249 7.815 ( 4.049 1.807 7.397) 8.624 8.058 ( 3.479 3.140 -4.733) 6.661 8.455 ( -3.588 2.104 2.967) 5.109 8.653 ( -2.396 -2.469 -1.359) 3.698 8.878 ( 1.246 -6.041 -1.554) 6.361 9.103 ( 2.115 2.997 -2.572) 4.480 9.184 ( 0.013 4.025 5.500) 6.816 9.330 ( -1.662 0.904 7.620) 7.852 10.014 ( 1.313 4.230 -0.231) 4.435 10.173 ( 4.138 -0.810 -12.320) 13.022 10.912 ( -5.874 0.701 13.197) 14.462 11.615 ( -3.351 -1.162 2.071) 4.107 12.019 ( -0.803 0.952 -7.436) 7.539 12.287 ( 4.631 0.734 -1.095) 4.815 12.551 ( -2.093 0.947 -0.063) 2.298 13.254 ( 4.017 0.645 -8.191) 9.145 13.509 ( -2.999 -0.901 2.664) 4.111 13.674 ( 2.283 -0.626 0.516) 2.422 15.027 ( -0.437 -0.477 3.218) 3.283 15.139 ( -0.329 2.007 -0.139) 2.038 16.346 ( -3.202 -0.471 -0.930) 3.367 16.625 ( 3.821 -7.795 -1.016) 8.740 17.008 ( -7.630 -0.939 4.072) 8.700 17.486 ( 2.517 3.042 3.887) 5.541 17.645 ( 0.547 6.089 4.323) 7.487 18.210 ( 1.577 0.282 -2.516) 2.982 18.321 ( 0.788 -0.015 1.615) 1.797 18.584 ( 2.172 1.819 -2.125) 3.542 22.157 ( -4.222 -2.020 -1.943) 5.068 22.238 ( 2.968 0.044 1.534) 3.341 26.539 ( 1.215 1.019 1.391) 2.110 26.790 ( 0.149 -1.164 -2.736) 2.977 28.150 ( -1.756 0.096 -0.924) 1.986 28.218 ( 3.070 1.782 0.032) 3.550 29.056 ( -0.256 -0.825 -3.271) 3.383 29.281 ( 5.113 -1.064 -10.540) 11.763 29.797 ( -5.288 -0.116 8.579) 10.079 30.070 ( -2.626 5.440 2.195) 6.427 30.730 ( -9.685 -4.175 15.065) 18.390 32.268 ( 1.084 6.363 1.843) 6.712 34.061 ( 6.523 2.677 3.313) 7.790 34.063 ( -6.665 0.436 -3.980) 7.775 34.681 ( 0.144 -0.367 1.125) 1.192 35.365 ( 2.579 -3.672 -7.158) 8.448 ======================= Grid point 89 (30/160) ======================= q-point: ( 0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -0.704 2.614 -0.364) 2.732 1.804 ( -3.468 -4.662 -1.939) 6.126 2.035 ( -1.280 1.971 -10.656) 10.912 2.194 ( 13.077 -1.793 0.328) 13.203 2.333 ( 1.954 -4.790 0.032) 5.174 2.977 ( -7.194 1.133 2.268) 7.628 3.021 ( -1.747 0.489 0.962) 2.053 3.206 ( 2.987 4.112 6.210) 8.025 3.911 ( 6.275 -1.213 -0.391) 6.403 4.025 ( 2.625 4.017 5.630) 7.397 4.089 ( -6.322 -1.164 5.835) 8.682 4.139 ( -4.426 -0.503 -0.063) 4.455 4.334 ( 0.488 0.592 8.459) 8.494 4.613 ( -2.542 -3.777 -7.025) 8.372 4.801 ( -2.110 -1.678 -6.553) 7.085 4.838 ( 2.446 -2.328 -3.016) 4.527 5.071 ( 8.322 4.489 -6.574) 11.516 5.449 ( -3.716 -2.063 -0.347) 4.265 5.461 ( 3.407 3.063 6.586) 8.023 5.770 ( -0.867 -0.143 -2.890) 3.020 5.875 ( 1.356 6.237 6.773) 9.306 5.930 ( 1.936 -0.655 6.478) 6.793 6.101 ( 0.503 0.745 -14.828) 14.855 6.390 ( -1.163 -1.082 -2.480) 2.945 6.606 ( 1.636 0.307 3.367) 3.756 6.823 ( 2.404 -3.252 3.798) 5.549 6.977 ( -1.274 -0.844 -2.655) 3.064 7.154 ( -5.688 -6.089 -12.667) 15.162 7.835 ( 2.026 1.322 6.473) 6.911 8.047 ( 3.296 -0.570 -5.134) 6.128 8.395 ( -3.719 2.719 6.431) 7.910 8.679 ( -0.296 -2.211 -0.638) 2.321 8.951 ( 3.548 1.476 -5.012) 6.315 9.052 ( -0.171 0.535 -2.092) 2.166 9.175 ( -2.266 -1.822 4.992) 5.777 9.324 ( -2.452 0.927 7.317) 7.772 9.923 ( 1.725 5.200 -1.395) 5.654 10.196 ( 4.915 -1.953 -11.943) 13.061 10.888 ( -6.075 1.424 12.940) 14.366 11.628 ( -2.284 -1.610 1.590) 3.215 11.981 ( 1.289 0.423 -6.002) 6.153 12.287 ( 2.962 1.632 -2.933) 4.476 12.537 ( -0.831 -0.449 1.980) 2.193 13.244 ( 3.719 0.612 -8.292) 9.108 13.512 ( -3.082 -0.950 2.649) 4.174 13.693 ( 1.245 0.306 0.191) 1.296 15.046 ( -0.295 -0.375 1.501) 1.575 15.101 ( -0.384 1.213 -0.020) 1.272 16.345 ( -1.848 -1.523 0.232) 2.406 16.755 ( 2.883 -2.746 -1.511) 4.259 16.996 ( -7.282 -2.232 4.167) 8.682 17.468 ( 1.025 0.651 3.775) 3.965 17.557 ( 0.848 5.430 4.827) 7.314 18.206 ( 2.187 0.862 -3.521) 4.234 18.325 ( -0.551 -0.070 0.950) 1.100 18.564 ( 0.580 0.630 -1.635) 1.846 22.158 ( -3.492 -1.812 -1.859) 4.351 22.259 ( 3.215 0.962 2.495) 4.182 26.530 ( -0.495 0.653 0.871) 1.196 26.804 ( 1.048 -0.695 -2.131) 2.474 28.135 ( -0.970 -0.165 -1.694) 1.959 28.213 ( 2.112 0.933 -0.432) 2.349 29.060 ( -0.146 -0.618 -0.642) 0.903 29.298 ( 5.396 -0.473 -12.746) 13.849 29.810 ( -2.949 -1.470 6.955) 7.696 29.975 ( -1.065 3.351 0.158) 3.520 30.778 ( -7.299 -2.309 15.349) 17.152 32.179 ( 0.059 3.781 0.949) 3.899 33.987 ( -4.421 0.559 -2.834) 5.281 34.101 ( 6.204 0.509 3.678) 7.230 34.675 ( -3.792 -0.368 -0.706) 3.875 35.418 ( 3.676 -1.608 -4.167) 5.785 ======================= Grid point 90 (31/160) ======================= q-point: (-0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( -0.090 0.154 -3.126) 3.131 1.803 ( -8.534 8.363 -3.392) 12.421 1.916 ( -1.828 -3.014 -4.357) 5.604 2.197 ( 8.319 7.174 -6.984) 13.017 2.464 ( 0.962 -7.008 -1.175) 7.171 2.952 ( -5.353 -3.936 0.042) 6.645 3.063 ( 1.949 2.007 8.445) 8.897 3.180 ( 0.368 1.153 5.985) 6.106 3.885 ( -0.939 3.098 0.062) 3.237 4.006 ( 0.265 4.795 -0.802) 4.869 4.090 ( -2.280 -4.312 4.222) 6.451 4.148 ( 1.010 0.583 4.217) 4.375 4.312 ( -4.349 3.114 9.459) 10.867 4.552 ( -2.120 6.958 -6.908) 10.031 4.723 ( 0.116 5.728 -2.754) 6.357 4.897 ( -1.721 -8.553 -7.496) 11.503 5.023 ( 3.204 0.852 -6.754) 7.523 5.364 ( -1.947 4.781 -0.116) 5.163 5.584 ( 4.457 0.262 4.424) 6.285 5.776 ( -2.356 -4.385 0.589) 5.013 5.793 ( 2.358 3.056 -1.007) 3.989 6.058 ( 3.925 -2.826 -3.814) 6.159 6.091 ( 2.920 -7.795 2.366) 8.654 6.311 ( -2.007 4.197 -6.921) 8.339 6.725 ( 2.751 -5.476 8.397) 10.396 6.822 ( -0.815 0.961 -3.837) 4.039 7.055 ( 2.678 -3.310 8.677) 9.665 7.164 ( -6.929 -4.574 -12.972) 15.401 7.817 ( 0.974 4.513 5.516) 7.193 8.069 ( 1.098 -2.159 -9.792) 10.087 8.363 ( -2.407 0.650 11.043) 11.321 8.736 ( 3.574 -1.819 0.558) 4.049 8.884 ( 3.274 4.267 -5.253) 7.518 9.023 ( -3.859 0.693 -4.140) 5.702 9.206 ( -0.612 0.302 3.806) 3.866 9.324 ( -2.971 -0.710 8.096) 8.653 9.877 ( 0.356 -0.779 -3.500) 3.604 10.233 ( 5.238 -1.809 -11.707) 12.952 10.859 ( -5.205 1.615 13.208) 14.288 11.641 ( -0.715 -0.124 2.288) 2.400 11.996 ( 3.855 -1.983 -5.941) 7.354 12.258 ( 1.139 1.621 -4.080) 4.535 12.565 ( 0.459 -1.592 3.029) 3.453 13.235 ( 3.323 0.180 -8.459) 9.091 13.515 ( -2.931 -0.937 2.591) 4.022 13.681 ( 0.214 1.512 -0.214) 1.542 15.021 ( -0.791 2.223 0.646) 2.447 15.111 ( -0.022 -1.724 0.440) 1.779 16.373 ( -0.754 -2.025 1.723) 2.764 16.737 ( 0.929 5.160 -3.481) 6.294 17.013 ( -5.361 -3.246 6.624) 9.119 17.463 ( -0.692 4.663 4.922) 6.815 17.544 ( 0.719 -4.681 2.376) 5.298 18.185 ( 2.788 1.936 -4.360) 5.526 18.324 ( -1.395 -0.124 0.828) 1.627 18.563 ( -1.050 -1.459 -1.614) 2.416 22.159 ( -2.166 -1.270 -1.798) 3.089 22.267 ( 3.190 1.649 2.836) 4.576 26.514 ( -1.697 0.214 0.190) 1.721 26.817 ( 1.769 -0.069 -1.527) 2.338 28.129 ( -0.339 -0.383 -2.138) 2.198 28.209 ( 1.248 0.708 -0.411) 1.493 29.075 ( 0.600 -0.928 -0.273) 1.139 29.295 ( 4.788 0.378 -12.330) 13.233 29.834 ( -2.774 -0.252 8.475) 8.921 29.945 ( 1.435 -0.876 -2.159) 2.737 30.803 ( -6.386 -0.236 16.794) 17.969 32.141 ( 0.151 0.290 -0.605) 0.688 33.957 ( -3.951 -1.430 -2.405) 4.841 34.163 ( 8.092 0.097 4.777) 9.397 34.635 ( -7.161 -0.564 -2.634) 7.651 35.453 ( 4.152 -0.137 -2.811) 5.016 ======================= Grid point 91 (32/160) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 1.538 5.161 -9.396) 10.830 1.455 ( -17.135 13.737 -2.270) 22.078 1.928 ( 1.625 4.788 0.222) 5.061 2.085 ( 5.003 7.979 -3.130) 9.925 2.586 ( -3.046 -6.760 -7.293) 10.400 2.900 ( -4.426 7.796 -4.359) 9.968 3.014 ( -0.803 1.987 8.903) 9.157 3.219 ( 0.818 -1.166 5.813) 5.985 3.817 ( 2.245 7.200 0.512) 7.559 3.933 ( 2.622 0.066 -1.188) 2.879 4.096 ( -3.134 2.873 9.644) 10.540 4.218 ( 2.243 -3.823 2.151) 4.926 4.247 ( -7.915 0.630 6.373) 10.181 4.413 ( 3.155 4.999 0.494) 5.932 4.632 ( -2.221 1.340 -5.069) 5.694 4.947 ( -3.044 0.826 -0.360) 3.174 5.068 ( -0.706 -6.450 -12.330) 13.933 5.283 ( -0.845 1.703 2.329) 3.007 5.524 ( 4.896 6.360 -0.094) 8.027 5.777 ( 1.116 -0.377 -1.429) 1.852 5.929 ( 0.236 -9.058 0.360) 9.068 6.103 ( -0.621 -4.543 -10.918) 11.842 6.205 ( 0.465 3.237 -1.375) 3.548 6.359 ( 5.639 -10.952 5.357) 13.433 6.762 ( -4.341 -2.434 -7.517) 9.016 6.902 ( 3.431 -3.939 10.256) 11.510 7.110 ( -5.069 -1.541 -3.937) 6.601 7.176 ( -0.755 -2.761 4.916) 5.689 7.712 ( 0.806 8.477 2.594) 8.902 8.087 ( 0.053 -3.449 -11.175) 11.695 8.386 ( -0.627 0.559 9.631) 9.668 8.728 ( 4.394 5.069 -0.481) 6.726 8.900 ( 2.536 -4.032 -3.875) 6.140 8.951 ( -3.720 2.127 -0.772) 4.354 9.194 ( -1.620 -0.029 1.432) 2.163 9.342 ( -3.531 -1.037 7.360) 8.229 9.921 ( 1.465 -3.539 -3.441) 5.149 10.259 ( 4.670 -1.060 -12.578) 13.459 10.839 ( -4.164 1.405 14.073) 14.743 11.639 ( -0.177 0.744 3.496) 3.579 12.062 ( 6.665 -2.579 -7.398) 10.286 12.222 ( 0.518 1.353 -4.117) 4.365 12.615 ( 0.635 -1.996 2.933) 3.604 13.235 ( 3.224 -0.526 -8.510) 9.115 13.518 ( -2.602 -0.667 2.576) 3.721 13.641 ( -0.555 2.286 -0.612) 2.430 14.976 ( -0.868 2.087 1.742) 2.853 15.147 ( -0.116 -1.884 0.297) 1.911 16.415 ( -0.208 -1.893 2.550) 3.183 16.589 ( -0.118 8.566 -3.624) 9.302 17.085 ( -2.539 -4.779 9.201) 10.675 17.378 ( -4.491 3.063 2.128) 5.837 17.665 ( 0.656 -5.776 1.949) 6.131 18.154 ( 3.398 2.281 -4.570) 6.134 18.309 ( -2.352 0.558 0.936) 2.592 18.589 ( -1.583 -2.796 -1.849) 3.708 22.159 ( -0.533 -0.400 -1.916) 2.029 22.265 ( 2.708 1.946 2.532) 4.187 26.503 ( -2.164 -0.679 -0.161) 2.274 26.817 ( 1.648 1.003 -1.389) 2.378 28.131 ( 0.107 -0.627 -2.008) 2.106 28.202 ( 0.723 0.693 -0.261) 1.035 29.091 ( 2.301 0.347 -3.040) 3.829 29.281 ( 2.633 0.215 -8.826) 9.213 29.843 ( -3.251 -0.721 10.058) 10.595 30.011 ( 3.367 -4.271 -1.299) 5.592 30.808 ( -6.398 0.574 19.980) 20.987 32.166 ( 1.654 -2.661 -2.471) 3.990 33.954 ( -3.882 -1.983 -1.896) 4.753 34.249 ( 9.447 -0.035 5.218) 10.792 34.580 ( -9.000 -1.733 -3.885) 9.955 35.461 ( 3.826 1.716 -3.750) 5.625 ======================= Grid point 92 (33/160) ======================= q-point: (-0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -6.024 20.238 -10.005) 23.366 1.079 ( -9.328 17.641 1.950) 20.050 1.677 ( -3.707 22.775 4.663) 23.541 2.018 ( 0.301 -1.456 -1.737) 2.287 2.517 ( -5.848 4.338 -13.094) 14.983 2.800 ( 6.803 3.413 -1.844) 7.832 2.969 ( -2.937 4.288 6.928) 8.661 3.232 ( -1.744 2.899 7.444) 8.177 3.726 ( 2.759 3.594 4.596) 6.454 3.954 ( 3.530 2.091 3.596) 5.456 4.080 ( 3.701 2.022 5.422) 6.869 4.205 ( -7.270 -1.333 2.804) 7.905 4.237 ( -1.199 1.427 -0.701) 1.991 4.470 ( 2.684 -6.653 3.540) 7.999 4.649 ( -0.381 -6.058 -3.963) 7.249 4.910 ( -6.498 -0.805 -0.134) 6.549 5.079 ( -1.510 -0.821 -11.008) 11.142 5.321 ( 4.085 -1.862 7.428) 8.679 5.426 ( 1.974 7.682 -0.585) 7.953 5.790 ( 0.291 -1.213 -5.169) 5.317 6.049 ( -4.139 1.665 -9.955) 10.908 6.111 ( 1.526 -9.508 -1.456) 9.739 6.289 ( 3.510 -7.537 -2.625) 8.719 6.527 ( 0.993 -2.684 -0.416) 2.892 6.793 ( -4.404 -5.754 -4.495) 8.527 6.986 ( -3.265 -3.656 -4.004) 6.329 7.083 ( -4.862 -0.371 3.386) 5.937 7.246 ( 0.009 -1.783 7.830) 8.030 7.561 ( 1.838 7.952 2.538) 8.547 8.123 ( 1.626 -3.142 -11.322) 11.861 8.391 ( 0.521 0.903 7.599) 7.670 8.669 ( 2.183 3.527 -1.079) 4.287 8.867 ( -5.152 1.426 -1.054) 5.449 8.996 ( 5.512 -0.898 1.705) 5.839 9.212 ( -1.495 -3.282 0.234) 3.614 9.372 ( -4.164 -3.278 6.567) 8.439 9.988 ( 3.415 -2.387 -0.091) 4.167 10.257 ( 3.646 -0.031 -13.432) 13.918 10.836 ( -3.597 0.993 15.365) 15.811 11.639 ( -0.576 0.245 4.168) 4.215 12.123 ( 8.495 -0.315 -9.668) 12.874 12.191 ( 1.170 1.166 -3.910) 4.245 12.659 ( -0.300 -1.451 2.345) 2.774 13.249 ( 3.741 -1.083 -8.411) 9.269 13.516 ( -2.176 -0.063 2.522) 3.331 13.589 ( -0.876 2.257 -0.991) 2.616 14.953 ( -0.262 0.558 4.622) 4.663 15.178 ( -0.329 -1.416 0.402) 1.509 16.403 ( 0.486 6.889 -2.656) 7.399 16.469 ( -0.410 -0.390 1.567) 1.666 17.200 ( -4.603 -5.153 10.846) 12.860 17.316 ( -4.182 -1.195 1.058) 4.477 17.762 ( -0.414 -3.947 0.393) 3.988 18.115 ( 4.000 3.588 -3.619) 6.478 18.280 ( -2.864 0.498 1.266) 3.171 18.621 ( -0.992 -2.079 -2.707) 3.554 22.151 ( 1.243 0.934 -2.548) 2.985 22.252 ( 1.489 1.851 1.423) 2.769 26.507 ( -2.376 -1.614 -0.397) 2.900 26.793 ( 0.948 2.029 -1.525) 2.709 28.144 ( 0.854 -1.032 -0.575) 1.457 28.195 ( 0.590 0.440 0.064) 0.739 29.058 ( 4.089 4.212 -7.627) 9.624 29.277 ( -0.204 -0.990 -3.710) 3.845 29.907 ( -4.357 -5.726 13.150) 14.990 30.135 ( 4.613 -5.693 0.579) 7.350 30.848 ( -8.295 -4.035 28.937) 30.371 32.243 ( 4.348 -4.055 -3.699) 7.002 33.956 ( -3.576 -1.840 -1.412) 4.262 34.310 ( 5.623 2.080 3.549) 6.967 34.562 ( -6.026 -4.193 -3.281) 8.041 35.402 ( 3.414 6.212 -9.555) 11.896 ======================= Grid point 93 (34/160) ======================= q-point: (-0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( 12.142 22.833 9.300) 27.482 0.682 ( -15.393 14.870 15.147) 26.220 1.158 ( -0.554 31.501 20.294) 37.476 2.076 ( -3.508 -5.604 -5.137) 8.373 2.417 ( 3.978 1.131 -10.650) 11.425 2.715 ( 5.588 6.646 -10.004) 13.246 2.902 ( -0.234 5.665 11.683) 12.986 3.132 ( -6.438 5.017 8.693) 11.924 3.758 ( 5.476 -0.490 5.855) 8.032 3.951 ( -1.235 1.940 11.972) 12.191 4.066 ( 5.501 3.240 -1.410) 6.538 4.193 ( 0.680 0.751 1.361) 1.696 4.251 ( -2.988 -4.291 -1.061) 5.335 4.615 ( -2.835 -4.821 2.742) 6.228 4.778 ( -5.976 -9.556 -4.301) 12.063 4.846 ( -1.888 3.128 -3.086) 4.782 5.063 ( -4.451 -3.146 -5.417) 7.684 5.270 ( -0.636 7.928 -3.732) 8.786 5.393 ( 4.864 2.769 6.808) 8.814 5.802 ( 0.689 -2.232 -5.910) 6.355 5.964 ( -3.271 1.499 -8.420) 9.156 6.257 ( -1.604 -5.715 -3.566) 6.925 6.430 ( 5.240 -5.457 -8.376) 11.287 6.527 ( -2.044 0.532 -0.764) 2.247 6.800 ( -7.955 -1.873 -7.055) 10.796 6.991 ( -6.348 -3.841 -11.277) 13.499 7.065 ( -3.823 1.290 2.203) 4.597 7.207 ( -4.925 3.571 -0.794) 6.135 7.560 ( 8.861 -0.276 15.495) 17.852 8.118 ( 3.257 2.839 -13.670) 14.336 8.436 ( 2.713 -1.085 9.026) 9.487 8.636 ( 0.599 0.012 1.116) 1.266 8.802 ( -6.724 0.142 -1.585) 6.909 9.024 ( 4.310 2.389 6.905) 8.483 9.313 ( 4.419 -5.641 1.449) 7.311 9.439 ( -2.238 -3.943 3.361) 5.643 10.095 ( 0.706 -7.453 1.128) 7.571 10.249 ( 3.374 -2.332 -8.610) 9.536 10.850 ( -3.886 0.012 16.879) 17.320 11.650 ( -1.587 -0.790 4.697) 5.020 12.107 ( 7.031 6.077 -12.659) 15.704 12.172 ( 2.470 0.907 -3.239) 4.173 12.674 ( -2.374 -0.602 0.976) 2.637 13.263 ( 3.551 0.244 -8.919) 9.603 13.505 ( -1.545 0.383 2.693) 3.128 13.545 ( 0.543 1.605 -0.371) 1.734 15.023 ( 3.680 -5.912 9.641) 11.893 15.197 ( -0.457 -0.732 0.626) 1.066 16.281 ( 1.048 4.709 -2.116) 5.268 16.482 ( -0.489 -0.194 -0.699) 0.874 17.199 ( -16.473 -3.028 3.380) 17.086 17.417 ( 2.026 -4.322 4.668) 6.676 17.809 ( -0.780 -1.910 0.114) 2.066 18.082 ( 8.661 2.068 2.672) 9.296 18.262 ( -1.816 -0.086 1.103) 2.127 18.618 ( 0.461 1.473 -4.339) 4.605 22.112 ( 2.544 4.302 -3.972) 6.384 22.228 ( -0.658 1.158 -0.217) 1.349 26.519 ( -1.810 -1.340 -0.330) 2.276 26.753 ( 0.341 1.952 -1.601) 2.548 28.183 ( 1.729 -0.540 0.196) 1.822 28.215 ( 3.097 -3.157 3.364) 5.557 28.945 ( 2.253 7.745 -5.675) 9.862 29.282 ( -0.774 -0.725 -2.210) 2.451 30.071 ( -3.975 -9.382 9.302) 13.796 30.281 ( 4.401 -4.550 1.389) 6.480 31.226 ( -19.796 -44.557 51.452) 70.885 32.348 ( 7.071 -3.256 -3.039) 8.357 33.958 ( -2.294 -1.058 -0.776) 2.643 34.286 ( -1.317 2.089 0.378) 2.498 34.607 ( -0.368 -2.981 -1.873) 3.540 35.108 ( 3.266 28.118 -26.222) 38.586 ======================= Grid point 95 (35/160) ======================= q-point: ( 0.11 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 25.365 0.000 14.029) 28.986 0.961 ( 12.196 0.000 23.879) 26.814 1.586 ( 22.214 0.000 26.709) 34.740 2.072 ( 3.768 0.000 6.305) 7.345 2.448 ( 10.024 0.000 -13.429) 16.758 2.695 ( 1.369 0.000 -10.965) 11.050 2.912 ( 1.294 0.000 10.440) 10.520 3.153 ( 3.609 0.000 14.465) 14.908 3.931 ( -3.837 -0.000 12.050) 12.646 4.026 ( -1.001 -0.000 -3.981) 4.106 4.040 ( -1.244 -0.000 20.613) 20.651 4.205 ( -7.875 -0.000 1.218) 7.969 4.297 ( 5.116 0.000 -2.469) 5.681 4.483 ( 0.150 0.000 -4.698) 4.701 4.717 ( -1.089 -0.000 -3.180) 3.361 4.855 ( 4.767 0.000 -0.063) 4.768 5.008 ( -1.695 -0.000 -10.102) 10.243 5.128 ( 3.789 0.000 2.236) 4.400 5.540 ( 2.740 0.000 9.483) 9.871 5.757 ( -3.450 -0.000 -11.787) 12.282 6.020 ( 13.166 0.000 0.750) 13.187 6.283 ( 5.738 0.000 -11.303) 12.676 6.422 ( -11.114 -0.000 -6.555) 12.904 6.533 ( 0.324 0.000 -0.398) 0.513 6.655 ( 8.157 0.000 -18.543) 20.258 6.713 ( -8.222 -0.000 -15.997) 17.986 6.886 ( -1.115 -0.000 -5.514) 5.626 7.091 ( -4.143 -0.000 -0.621) 4.189 7.971 ( 0.740 0.000 -3.622) 3.697 7.992 ( 8.143 0.000 9.327) 12.381 8.603 ( 1.686 0.000 5.655) 5.901 8.658 ( -3.725 -0.000 0.389) 3.746 8.731 ( 3.128 0.000 3.828) 4.943 9.204 ( 2.196 0.000 11.080) 11.295 9.380 ( -6.677 -0.000 -2.124) 7.007 9.486 ( -1.650 -0.000 3.822) 4.163 9.985 ( -5.899 -0.000 -6.575) 8.833 10.190 ( -7.363 -0.000 -3.431) 8.124 10.906 ( -4.906 -0.000 15.350) 16.115 11.640 ( 0.007 0.000 1.340) 1.340 11.959 ( -0.223 -0.000 -3.055) 3.063 12.245 ( 5.479 0.000 -0.122) 5.481 12.620 ( -0.115 -0.000 -2.365) 2.367 13.227 ( 3.576 0.000 -7.275) 8.106 13.481 ( -3.031 -0.000 1.330) 3.310 13.636 ( 4.071 0.000 -1.015) 4.195 15.159 ( -8.782 -0.000 6.371) 10.849 15.203 ( -0.186 -0.000 0.523) 0.555 16.281 ( 3.272 0.000 -0.206) 3.279 16.398 ( -5.010 -0.000 -3.741) 6.252 17.097 ( 2.525 0.000 0.613) 2.598 17.427 ( 1.278 0.000 0.612) 1.417 17.844 ( -2.279 -0.000 2.212) 3.176 18.237 ( -0.082 -0.000 -1.022) 1.025 18.538 ( 0.500 0.000 -2.410) 2.461 18.550 ( 11.934 0.000 -6.408) 13.546 22.094 ( 3.562 0.000 1.849) 4.013 22.166 ( -0.878 -0.000 -3.021) 3.146 26.636 ( 7.814 0.000 -3.815) 8.696 26.703 ( -0.882 -0.000 -2.352) 2.511 28.171 ( -1.852 -0.000 -0.565) 1.936 28.494 ( 7.653 0.000 -5.931) 9.683 28.825 ( -0.538 -0.000 3.098) 3.144 29.267 ( 1.261 0.000 -2.658) 2.942 30.153 ( -3.458 -0.000 2.745) 4.415 30.377 ( -2.279 -0.000 4.133) 4.720 30.535 ( -79.539 -0.000 48.313) 93.062 32.484 ( 3.901 0.000 0.925) 4.009 34.097 ( -2.948 -0.000 -3.505) 4.580 34.402 ( 2.985 0.000 3.139) 4.332 34.594 ( 4.985 0.000 -6.166) 7.929 34.804 ( 24.250 0.000 -11.850) 26.990 ======================= Grid point 96 (36/160) ======================= q-point: ( 0.22 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 19.205 -10.891 10.289) 24.358 1.222 ( 13.275 -8.965 15.781) 22.486 1.803 ( 8.857 -3.764 1.314) 9.713 2.078 ( 16.184 7.763 16.433) 24.336 2.447 ( 2.502 5.439 -10.714) 12.273 2.766 ( 2.505 -10.873 -6.520) 12.923 3.075 ( -1.497 -9.985 4.143) 10.913 3.238 ( 5.995 -0.224 14.754) 15.927 3.920 ( -3.101 1.950 9.176) 9.880 3.989 ( -7.484 0.886 -2.018) 7.802 4.068 ( -4.517 1.092 17.999) 18.589 4.153 ( 1.815 -2.492 0.273) 3.095 4.335 ( 2.355 0.423 0.576) 2.461 4.447 ( 1.606 2.338 -4.390) 5.226 4.766 ( 2.077 1.490 -2.416) 3.517 4.849 ( -1.652 -3.688 -2.282) 4.641 4.935 ( 0.774 4.309 -2.962) 5.286 5.206 ( 5.005 -3.287 -2.048) 6.328 5.628 ( 0.128 -4.410 8.952) 9.980 5.719 ( -0.200 -1.476 -11.270) 11.368 6.089 ( 10.573 3.387 -1.229) 11.170 6.189 ( 0.242 7.260 -9.812) 12.208 6.300 ( -8.437 -1.030 -4.051) 9.416 6.456 ( 0.281 6.528 -8.431) 10.667 6.582 ( -5.045 0.060 -14.361) 15.222 6.722 ( 4.330 -1.655 -4.596) 6.528 6.888 ( -0.891 -1.896 -3.936) 4.459 7.080 ( -1.751 -1.246 -0.853) 2.312 7.944 ( 3.480 3.299 6.036) 7.709 8.100 ( 2.146 -3.013 -4.136) 5.549 8.557 ( -5.785 2.969 2.421) 6.938 8.633 ( 2.015 2.498 2.495) 4.066 8.799 ( 3.880 -0.253 3.694) 5.363 9.108 ( -2.912 4.468 3.487) 6.372 9.371 ( 0.335 1.243 3.255) 3.501 9.447 ( -2.971 3.273 5.615) 7.146 9.968 ( -2.382 -3.472 -6.265) 7.549 10.162 ( -1.617 -1.903 -5.266) 5.828 10.918 ( -5.476 -0.122 14.247) 15.264 11.629 ( -0.203 1.602 1.054) 1.928 11.977 ( -2.317 -2.721 -5.286) 6.380 12.292 ( 5.733 -0.308 0.415) 5.756 12.600 ( -0.183 1.248 -2.156) 2.498 13.249 ( 3.963 -1.146 -7.316) 8.399 13.467 ( -3.714 -0.914 0.756) 3.899 13.659 ( 3.148 -0.055 -0.172) 3.153 15.079 ( -5.242 3.078 6.952) 9.235 15.196 ( -0.183 0.796 0.325) 0.879 16.335 ( -3.499 -0.876 -2.353) 4.307 16.357 ( 1.103 -3.723 -1.288) 4.091 17.066 ( -0.689 3.677 1.725) 4.120 17.504 ( 2.324 -3.770 0.861) 4.512 17.812 ( -2.657 1.857 2.105) 3.865 18.227 ( 0.044 0.484 -1.351) 1.436 18.430 ( 5.445 7.020 1.263) 8.974 18.629 ( 3.417 -0.507 -4.667) 5.807 22.109 ( -0.813 0.296 -0.829) 1.198 22.193 ( 2.483 -2.464 -0.850) 3.600 26.620 ( 3.416 3.324 -1.326) 4.948 26.729 ( 1.134 -2.023 -3.143) 3.906 28.152 ( -2.417 0.068 -0.647) 2.503 28.399 ( 3.755 8.465 1.074) 9.323 28.927 ( 1.205 -6.326 -4.814) 8.040 29.269 ( 2.317 0.208 -3.104) 3.879 29.928 ( -18.162 9.064 19.158) 27.911 30.259 ( -15.739 1.742 11.019) 19.292 30.480 ( -12.725 -8.280 13.736) 20.473 32.487 ( 1.202 3.012 2.122) 3.875 34.057 ( -1.699 0.969 -2.712) 3.344 34.285 ( 6.821 8.886 1.954) 11.371 34.655 ( -0.233 -1.960 -2.222) 2.972 35.075 ( 9.541 -11.866 -11.960) 19.361 ======================= Grid point 97 (37/160) ======================= q-point: ( 0.33 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 6.188 -4.593 4.098) 8.729 1.492 ( 5.657 -8.491 3.138) 10.675 1.925 ( 10.940 -4.232 -1.613) 11.841 2.157 ( 14.784 3.873 13.170) 20.175 2.325 ( 0.534 3.415 -7.419) 8.185 2.904 ( -4.381 -5.330 -2.824) 7.455 3.187 ( -3.722 -0.975 -2.882) 4.807 3.316 ( 8.702 1.083 3.533) 9.454 3.891 ( -2.642 0.999 -1.786) 3.342 3.961 ( -2.393 -4.597 6.817) 8.564 4.066 ( -4.657 0.998 14.207) 14.984 4.251 ( -3.530 -2.900 4.565) 6.459 4.311 ( 4.272 3.454 2.041) 5.861 4.469 ( 4.976 -3.542 1.344) 6.254 4.693 ( -0.137 2.108 -4.199) 4.701 4.848 ( 1.962 4.789 -0.311) 5.184 4.956 ( 2.214 -6.250 -3.651) 7.569 5.293 ( 3.898 -3.067 -3.054) 5.825 5.728 ( 0.233 -4.039 -7.168) 8.231 5.744 ( 2.605 -1.315 10.346) 10.750 5.981 ( -5.024 6.195 -6.598) 10.352 6.124 ( 5.949 4.265 0.897) 7.375 6.260 ( -3.939 0.902 2.866) 4.954 6.266 ( -1.407 6.565 -13.716) 15.271 6.578 ( -2.397 -6.956 -10.649) 12.944 6.729 ( 1.189 2.072 0.965) 2.576 6.897 ( -1.761 -0.884 -4.227) 4.664 7.089 ( 1.381 -0.128 -0.818) 1.610 7.922 ( 3.183 3.800 5.740) 7.584 8.110 ( 1.417 1.105 -5.782) 6.055 8.463 ( -5.005 2.181 0.563) 5.489 8.625 ( 1.068 0.491 2.862) 3.094 8.813 ( 1.162 -0.712 0.741) 1.551 9.105 ( 1.116 -1.251 -2.812) 3.274 9.326 ( 1.535 5.232 3.677) 6.576 9.374 ( -3.783 3.159 8.039) 9.429 10.007 ( -0.217 -3.260 -5.456) 6.359 10.170 ( 2.114 -0.273 -7.004) 7.321 10.916 ( -6.544 0.239 13.068) 14.617 11.594 ( -2.291 1.147 1.604) 3.023 11.977 ( -2.371 -1.328 -5.985) 6.573 12.339 ( 5.728 0.379 0.084) 5.741 12.561 ( -0.859 1.663 -1.109) 2.176 13.265 ( 3.807 0.049 -7.395) 8.318 13.463 ( -3.969 -1.460 0.820) 4.308 13.687 ( 2.585 -0.421 0.642) 2.696 15.033 ( -2.418 0.823 4.786) 5.425 15.172 ( -0.231 1.636 -0.050) 1.653 16.294 ( -4.880 -0.881 -2.884) 5.737 16.498 ( 3.182 -7.833 -0.271) 8.459 16.992 ( -3.700 2.831 3.842) 6.039 17.550 ( 1.505 0.966 0.856) 1.983 17.759 ( -1.004 3.250 4.035) 5.277 18.215 ( 0.273 0.302 -1.678) 1.727 18.379 ( 4.722 3.533 1.803) 6.167 18.623 ( 1.700 1.451 -3.380) 4.051 22.095 ( -2.355 -0.743 -1.696) 2.996 22.252 ( 2.821 -1.430 0.932) 3.297 26.584 ( 1.368 2.303 0.215) 2.687 26.759 ( 0.988 -1.424 -2.658) 3.174 28.130 ( -2.343 -0.009 -0.834) 2.487 28.307 ( 3.398 4.755 0.775) 5.896 29.002 ( 0.148 -3.213 -5.321) 6.217 29.277 ( 3.841 -0.127 -5.574) 6.770 29.789 ( -9.487 1.424 13.221) 16.335 30.141 ( -7.324 4.221 5.085) 9.865 30.592 ( -8.907 -7.330 12.642) 17.113 32.404 ( -0.382 6.367 2.030) 6.694 34.018 ( -3.026 0.653 -2.495) 3.976 34.204 ( 6.650 5.980 2.675) 9.334 34.669 ( -0.595 -0.637 -2.415) 2.568 35.265 ( 4.187 -7.053 -7.089) 10.841 ======================= Grid point 98 (38/160) ======================= q-point: ( 0.44 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -0.272 4.124 -1.151) 4.290 1.667 ( 0.308 -6.430 -2.451) 6.888 2.031 ( 4.794 -0.004 -13.878) 14.682 2.267 ( 9.794 -1.973 16.650) 19.417 2.301 ( 2.923 0.459 0.633) 3.025 2.931 ( -4.631 -3.494 1.477) 5.987 3.051 ( -3.766 6.615 -10.001) 12.568 3.338 ( 5.028 4.269 2.900) 7.206 3.914 ( 3.257 -2.291 -0.869) 4.075 4.034 ( -4.110 0.114 7.850) 8.862 4.082 ( -0.503 -2.984 4.756) 5.637 4.194 ( -2.143 4.054 5.790) 7.386 4.348 ( 2.910 -1.630 2.358) 4.084 4.554 ( 0.178 0.338 3.583) 3.603 4.689 ( 0.394 -2.785 -10.083) 10.468 4.826 ( 2.063 -1.445 0.458) 2.560 5.096 ( 6.129 -6.342 -3.813) 9.608 5.354 ( 0.306 -2.163 -0.499) 2.241 5.687 ( -0.618 11.243 1.425) 11.350 5.751 ( -0.442 -0.013 -3.383) 3.411 5.899 ( -2.693 -3.526 3.771) 5.823 6.015 ( -4.669 8.528 -1.750) 9.879 6.120 ( 6.772 3.560 -9.512) 12.207 6.344 ( 2.626 -5.130 7.955) 9.823 6.640 ( -2.156 -1.287 -5.614) 6.150 6.740 ( -0.610 -6.167 0.034) 6.198 6.864 ( -4.031 -0.136 -4.757) 6.237 7.100 ( 4.129 0.942 -2.563) 4.950 7.896 ( 1.608 2.364 3.819) 4.771 8.076 ( 2.815 1.926 -3.756) 5.074 8.408 ( -3.918 0.726 0.854) 4.075 8.643 ( 0.291 -1.007 1.952) 2.216 8.879 ( 0.883 -5.441 -2.838) 6.200 9.092 ( -0.854 1.376 -2.305) 2.817 9.224 ( -0.241 6.461 5.598) 8.553 9.352 ( -1.363 0.855 5.599) 5.826 10.019 ( 0.244 1.977 -1.465) 2.473 10.165 ( 4.967 -0.478 -11.372) 12.418 10.898 ( -6.994 0.508 12.537) 14.365 11.577 ( -3.032 -1.195 1.673) 3.663 11.962 ( -0.762 -0.672 -5.621) 5.712 12.351 ( 4.494 2.482 -1.497) 5.348 12.533 ( -0.492 0.255 0.819) 0.989 13.259 ( 3.424 0.762 -7.771) 8.526 13.466 ( -3.743 -1.553 1.248) 4.240 13.712 ( 1.801 0.039 0.857) 1.995 15.034 ( -1.162 -0.729 2.686) 3.016 15.133 ( -0.275 2.140 -0.279) 2.175 16.284 ( -3.322 -2.254 -1.774) 4.389 16.670 ( 2.753 -7.533 -1.137) 8.100 16.942 ( -5.070 0.491 5.681) 7.630 17.514 ( 0.173 2.860 0.992) 3.032 17.697 ( 0.638 5.154 5.360) 7.463 18.211 ( 0.502 -0.192 -2.277) 2.340 18.362 ( 3.616 2.497 0.937) 4.494 18.587 ( 0.121 1.900 -2.557) 3.188 22.093 ( -2.410 -1.618 -1.545) 3.288 22.294 ( 2.533 -0.397 1.816) 3.142 26.553 ( -0.141 1.709 0.507) 1.788 26.784 ( 1.140 -1.299 -2.130) 2.743 28.114 ( -1.622 -0.303 -1.314) 2.109 28.266 ( 3.042 2.579 -0.481) 4.017 29.030 ( -0.510 -1.677 -2.602) 3.137 29.292 ( 4.956 -0.350 -9.233) 10.485 29.778 ( -4.542 -1.451 8.559) 9.798 30.032 ( -4.025 3.948 2.268) 6.077 30.696 ( -7.294 -5.544 13.662) 16.450 32.280 ( -0.926 6.393 1.259) 6.581 33.965 ( -3.332 1.302 -2.282) 4.243 34.187 ( 6.168 2.343 3.997) 7.714 34.650 ( -1.975 0.707 -3.361) 3.962 35.377 ( 3.106 -4.139 -3.845) 6.447 ======================= Grid point 99 (39/160) ======================= q-point: ( 0.56 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -0.728 2.833 0.456) 2.961 1.778 ( 1.979 -7.583 -3.379) 8.534 1.921 ( -2.086 8.299 -10.645) 13.659 2.297 ( 2.783 1.058 -7.005) 7.612 2.411 ( 3.994 -0.864 9.492) 10.335 2.869 ( -6.895 2.121 -0.874) 7.266 3.078 ( 5.057 -7.771 4.066) 10.124 3.270 ( 1.024 6.163 4.140) 7.495 3.903 ( -5.364 2.227 -0.269) 5.814 4.035 ( -1.955 -1.443 3.534) 4.289 4.062 ( -3.453 3.217 2.753) 5.464 4.221 ( 7.988 1.291 6.892) 10.629 4.396 ( 1.608 2.323 6.776) 7.342 4.542 ( -0.554 -3.030 -6.115) 6.847 4.677 ( -3.646 -1.706 -10.254) 11.016 4.856 ( -0.579 2.035 1.151) 2.409 5.139 ( 5.661 5.823 -6.196) 10.214 5.437 ( 1.771 -4.877 1.674) 5.452 5.551 ( 3.383 3.128 3.897) 6.035 5.702 ( -5.879 1.321 -3.654) 7.047 5.867 ( -3.467 1.575 -3.768) 5.357 5.965 ( -1.890 -5.170 1.543) 5.717 6.084 ( 6.533 3.231 -5.112) 8.903 6.398 ( 2.463 4.194 2.249) 5.358 6.680 ( 1.877 -2.552 3.981) 5.088 6.833 ( 0.365 0.069 1.036) 1.101 6.888 ( -5.506 -12.237 -7.801) 15.521 7.099 ( 3.748 1.241 -0.559) 3.988 7.880 ( -0.538 1.432 3.091) 3.449 8.055 ( 3.168 1.365 -6.151) 7.052 8.377 ( -3.960 0.198 5.621) 6.879 8.691 ( 1.370 -3.350 0.496) 3.653 8.954 ( 1.255 -1.482 -6.325) 6.616 9.035 ( 0.297 4.484 -0.834) 4.571 9.182 ( -1.560 -1.956 5.231) 5.798 9.330 ( -2.742 1.561 6.443) 7.174 9.930 ( 0.652 5.863 -1.949) 6.212 10.195 ( 5.180 -2.128 -11.683) 12.956 10.879 ( -6.189 0.527 12.783) 14.212 11.604 ( -1.918 -2.799 1.532) 3.723 11.963 ( 1.364 -1.455 -5.307) 5.670 12.310 ( 2.419 3.479 -2.957) 5.167 12.550 ( 0.388 -1.220 2.210) 2.554 13.242 ( 3.271 0.742 -8.283) 8.937 13.473 ( -3.157 -1.496 1.705) 3.887 13.714 ( 0.860 1.150 0.717) 1.605 15.046 ( -0.726 0.075 1.163) 1.373 15.097 ( -0.144 0.782 0.093) 0.801 16.314 ( -1.807 -3.143 -0.294) 3.637 16.772 ( 1.362 -1.432 -3.958) 4.423 16.942 ( -4.540 -2.187 8.758) 10.105 17.493 ( -0.044 -0.851 2.136) 2.300 17.603 ( -0.013 6.914 4.469) 8.233 18.210 ( 1.019 0.157 -3.210) 3.372 18.344 ( 2.370 2.041 0.661) 3.197 18.545 ( -1.139 0.989 -1.869) 2.401 22.107 ( -1.598 -1.943 -1.160) 2.770 22.316 ( 1.910 0.529 2.026) 2.834 26.521 ( -0.966 1.355 0.437) 1.720 26.811 ( 1.348 -1.124 -1.771) 2.493 28.108 ( -0.680 -0.573 -1.793) 2.001 28.245 ( 2.101 1.713 -0.678) 2.794 29.050 ( -0.554 -1.487 -0.620) 1.703 29.301 ( 5.681 0.085 -11.930) 13.214 29.814 ( -2.782 -2.143 7.367) 8.162 29.956 ( -1.234 2.072 -0.404) 2.445 30.773 ( -6.682 -3.203 15.092) 16.813 32.178 ( -0.768 3.729 0.574) 3.850 33.919 ( -2.252 0.474 -1.529) 2.763 34.229 ( 5.493 -0.465 4.663) 7.220 34.591 ( -3.468 1.894 -4.009) 5.629 35.447 ( 2.479 -2.240 -2.737) 4.319 ======================= Grid point 100 (40/160) ======================= q-point: (-0.33 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 1.730 0.364 -2.703) 3.230 1.635 ( -5.054 15.314 -3.903) 16.592 1.948 ( 4.072 -5.849 0.284) 7.133 2.251 ( 7.221 6.814 -11.218) 14.980 2.419 ( -7.446 -3.538 -1.364) 8.356 2.884 ( -1.115 -4.678 2.173) 5.277 3.126 ( -3.341 8.170 8.593) 12.319 3.254 ( 3.690 -1.609 5.329) 6.678 3.862 ( -3.367 -3.792 -2.336) 5.583 3.971 ( 0.082 5.289 -1.523) 5.505 4.056 ( -2.825 -1.220 3.891) 4.961 4.243 ( 1.904 1.765 6.038) 6.573 4.314 ( -5.354 5.712 10.577) 13.159 4.513 ( 3.767 5.533 -3.976) 7.786 4.719 ( 0.743 3.543 -1.108) 3.786 4.823 ( 0.056 -10.197 -7.418) 12.610 5.051 ( 3.437 7.703 -1.143) 8.512 5.331 ( -2.389 6.330 -1.390) 6.907 5.627 ( 0.186 1.738 -3.297) 3.732 5.730 ( -2.222 -10.158 -0.945) 10.442 5.815 ( 1.558 2.223 -0.562) 2.772 6.046 ( 3.086 -0.776 -10.182) 10.667 6.142 ( -0.704 -9.853 0.348) 9.885 6.340 ( 4.812 4.316 8.131) 10.388 6.681 ( -3.695 -0.513 -7.765) 8.615 6.877 ( -0.662 -2.278 -1.147) 2.635 7.019 ( -0.648 -4.724 -0.212) 4.773 7.145 ( 2.754 -2.874 7.180) 8.209 7.833 ( -1.946 4.004 1.080) 4.581 8.024 ( 1.978 0.486 -10.093) 10.297 8.397 ( -2.809 -2.038 10.261) 10.832 8.787 ( 2.457 -4.340 -0.690) 5.035 8.908 ( 3.636 5.251 -4.603) 7.873 8.953 ( -1.693 2.107 -1.762) 3.226 9.209 ( -1.557 1.073 2.820) 3.396 9.329 ( -3.460 -0.873 7.827) 8.602 9.862 ( 0.729 -0.473 -2.900) 3.028 10.229 ( 4.547 -1.462 -11.839) 12.766 10.871 ( -4.884 0.552 13.466) 14.335 11.643 ( -0.827 -1.304 2.224) 2.708 12.011 ( 3.385 -3.705 -6.347) 8.091 12.254 ( 1.491 2.644 -3.376) 4.540 12.589 ( -0.023 -1.817 2.176) 2.835 13.231 ( 3.583 0.225 -8.609) 9.327 13.485 ( -2.341 -1.296 2.197) 3.463 13.687 ( 0.137 2.275 0.539) 2.342 15.017 ( -0.442 2.161 1.025) 2.432 15.112 ( -0.144 -1.722 0.381) 1.769 16.364 ( -1.266 -3.089 1.177) 3.540 16.716 ( 0.334 5.639 -4.826) 7.430 17.009 ( -2.743 -4.110 11.042) 12.097 17.472 ( -2.017 7.219 2.782) 7.995 17.563 ( -0.304 -5.278 1.798) 5.585 18.197 ( 1.996 1.113 -3.651) 4.307 18.325 ( 0.750 1.709 0.935) 2.087 18.531 ( -1.301 -1.240 -1.451) 2.310 22.131 ( -0.270 -1.602 -0.832) 1.826 22.316 ( 0.825 1.254 1.567) 2.170 26.494 ( -0.939 0.759 0.565) 1.333 26.830 ( 1.178 -0.309 -1.793) 2.167 28.113 ( 0.276 -0.729 -1.856) 2.013 28.226 ( 0.937 1.294 -0.443) 1.658 29.075 ( -0.324 -1.633 -0.324) 1.696 29.294 ( 5.851 0.984 -12.780) 14.090 29.841 ( -3.876 -0.228 8.438) 9.289 29.957 ( 1.996 -2.719 -2.147) 3.998 30.812 ( -7.068 -1.033 16.701) 18.164 32.142 ( 0.281 -0.113 -0.016) 0.303 33.905 ( -1.312 -0.715 -0.776) 1.684 34.316 ( 5.410 -2.747 4.510) 7.560 34.505 ( -4.414 2.658 -3.746) 6.370 35.479 ( 1.549 -0.507 -3.563) 3.918 ======================= Grid point 101 (41/160) ======================= q-point: (-0.22 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 2.585 12.916 0.059) 13.172 1.339 ( 1.532 10.346 -1.758) 10.605 1.951 ( 1.269 8.089 -1.168) 8.271 2.077 ( -3.417 8.786 -4.795) 10.576 2.452 ( -2.685 -3.681 -11.887) 12.730 2.911 ( 3.730 3.158 5.245) 7.169 3.041 ( -1.843 1.560 7.322) 7.710 3.273 ( 0.161 1.331 4.431) 4.629 3.866 ( 2.088 6.005 1.569) 6.549 3.946 ( -0.031 -4.783 -1.094) 4.907 4.078 ( -3.321 -2.913 2.874) 5.270 4.201 ( -6.779 4.308 9.790) 12.663 4.260 ( 1.107 0.443 6.766) 6.871 4.448 ( 2.052 2.559 1.377) 3.557 4.652 ( 5.080 2.775 -1.655) 6.021 4.880 ( -4.740 6.564 -0.883) 8.144 4.998 ( 2.616 -6.292 -10.937) 12.886 5.301 ( 1.208 -2.473 3.043) 4.103 5.555 ( -0.213 4.558 -3.409) 5.696 5.792 ( 2.593 0.220 -1.253) 2.888 5.883 ( -4.231 -7.243 -2.716) 8.816 6.061 ( 4.681 -2.149 -7.054) 8.734 6.232 ( 1.267 -1.360 -1.651) 2.486 6.446 ( 1.867 -6.398 3.907) 7.726 6.651 ( -4.089 -3.285 -6.139) 8.075 6.870 ( -4.179 -1.922 -11.408) 12.301 7.073 ( -2.591 -0.819 8.414) 8.842 7.248 ( 2.858 -1.938 7.299) 8.074 7.701 ( -1.883 6.991 -2.211) 7.570 8.036 ( 2.126 -3.387 -8.723) 9.596 8.443 ( -0.735 -0.237 9.780) 9.811 8.769 ( 2.563 5.416 -4.210) 7.323 8.862 ( -2.285 2.427 -1.890) 3.831 8.984 ( 4.168 -5.829 3.013) 7.774 9.171 ( -1.738 1.454 0.237) 2.278 9.324 ( -4.681 -0.253 7.090) 8.500 9.937 ( 2.727 -5.261 -1.158) 6.037 10.236 ( 3.516 -0.313 -12.998) 13.469 10.873 ( -3.972 0.567 14.377) 14.926 11.651 ( -1.206 0.317 3.309) 3.536 12.094 ( 4.350 -3.964 -8.890) 10.662 12.216 ( 1.707 1.607 -3.005) 3.811 12.626 ( -1.379 -1.887 1.266) 2.658 13.236 ( 4.339 -0.635 -8.711) 9.753 13.499 ( -1.473 -0.782 2.799) 3.258 13.639 ( 0.022 2.845 0.461) 2.883 14.984 ( -0.098 1.522 2.745) 3.140 15.146 ( -0.220 -1.811 0.278) 1.845 16.411 ( -1.719 -2.463 1.534) 3.372 16.568 ( 0.799 8.401 -3.344) 9.077 17.117 ( -2.843 -4.919 11.106) 12.475 17.342 ( -1.843 4.780 2.814) 5.845 17.667 ( -1.095 -5.525 0.096) 5.633 18.182 ( 3.142 1.303 -3.065) 4.578 18.294 ( -0.657 2.036 1.651) 2.703 18.559 ( -0.418 -2.650 -1.767) 3.213 22.154 ( 1.102 -0.696 -0.819) 1.540 22.291 ( -0.862 1.722 0.396) 1.966 26.485 ( -0.273 -0.079 0.882) 0.927 26.824 ( 0.631 1.036 -2.053) 2.384 28.130 ( 1.259 -1.069 -0.969) 1.915 28.208 ( 0.009 0.843 -0.274) 0.887 29.094 ( 0.833 -0.350 -3.113) 3.242 29.271 ( 4.471 1.246 -10.526) 11.504 29.845 ( -4.854 -1.375 9.311) 10.590 30.053 ( 2.568 -5.621 -0.250) 6.185 30.821 ( -9.218 -0.422 19.194) 21.297 32.188 ( 2.440 -3.662 -0.442) 4.422 33.916 ( -0.021 -1.135 0.097) 1.139 34.400 ( -9.202 0.271 -5.196) 10.571 34.441 ( 9.352 -1.476 5.614) 11.007 35.459 ( 0.457 1.927 -6.644) 6.933 ======================= Grid point 102 (42/160) ======================= q-point: (-0.11 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 10.186 16.880 14.116) 24.248 1.086 ( 7.258 21.556 -1.537) 22.797 1.689 ( 0.560 19.745 6.943) 20.937 1.948 ( -4.243 -1.919 -5.929) 7.539 2.423 ( 2.741 0.332 -12.234) 12.542 2.926 ( 9.248 8.980 -2.228) 13.082 2.985 ( -1.644 0.594 12.718) 12.837 3.243 ( -2.703 4.417 6.044) 7.959 3.811 ( 2.311 2.395 8.546) 9.171 3.991 ( -2.597 -0.393 5.936) 6.491 4.115 ( -6.742 1.032 3.492) 7.663 4.136 ( 1.365 -2.265 0.857) 2.780 4.270 ( 4.621 2.068 3.054) 5.912 4.481 ( -4.311 -5.028 1.409) 6.771 4.678 ( 5.077 -1.389 -2.318) 5.752 4.805 ( -4.748 -3.103 -0.707) 5.716 5.016 ( 2.183 1.387 -10.288) 10.608 5.395 ( -2.044 2.283 -3.660) 4.773 5.424 ( 1.854 1.679 8.320) 8.688 5.822 ( 7.053 0.623 -6.067) 9.325 5.913 ( -3.710 -2.245 -4.850) 6.506 6.169 ( 4.814 -4.336 -1.356) 6.620 6.297 ( 0.610 -7.059 -5.078) 8.718 6.490 ( -2.325 -0.761 -6.707) 7.139 6.703 ( -4.505 -3.632 -0.915) 5.859 6.837 ( -3.994 -2.678 -12.913) 13.779 7.069 ( -4.153 0.615 5.863) 7.211 7.229 ( -5.540 4.467 -4.088) 8.207 7.643 ( 5.165 -0.561 9.160) 10.531 8.105 ( 4.586 -3.282 -9.009) 10.629 8.476 ( 1.647 -0.534 8.994) 9.159 8.677 ( 0.564 3.800 -3.588) 5.256 8.776 ( -3.947 2.799 -1.036) 4.948 9.107 ( 2.627 1.841 4.059) 5.174 9.196 ( 0.956 -8.230 1.332) 8.392 9.348 ( -3.600 -3.495 6.604) 8.294 10.036 ( 1.982 -2.508 0.731) 3.279 10.218 ( 2.868 -0.293 -12.558) 12.885 10.882 ( -3.833 0.553 15.119) 15.607 11.644 ( -2.304 0.150 3.750) 4.404 12.137 ( 2.153 -0.718 -11.656) 11.875 12.202 ( 3.172 0.923 -2.086) 3.907 12.640 ( -2.895 -1.076 -0.106) 3.090 13.257 ( 4.337 -0.798 -9.087) 10.101 13.508 ( -0.906 -0.041 3.377) 3.497 13.595 ( 1.457 2.247 0.474) 2.719 14.993 ( 0.388 -1.440 5.972) 6.156 15.176 ( -0.280 -1.381 0.374) 1.458 16.407 ( 2.517 7.106 -2.256) 7.869 16.443 ( -3.420 -0.999 0.392) 3.585 17.135 ( -8.419 1.024 5.166) 9.930 17.375 ( 4.845 -4.243 8.158) 10.394 17.745 ( -1.181 -3.978 -0.275) 4.159 18.177 ( 5.079 1.409 -1.037) 5.372 18.261 ( -0.938 1.083 2.464) 2.850 18.599 ( 0.843 -1.925 -3.062) 3.714 22.163 ( 2.049 0.897 -1.540) 2.715 22.241 ( -2.875 1.877 -1.164) 3.625 26.501 ( 1.242 -0.928 1.140) 1.925 26.789 ( 0.154 2.062 -2.240) 3.049 28.176 ( 2.833 -2.602 1.506) 4.131 28.194 ( -0.793 0.178 -0.121) 0.822 29.059 ( 3.027 3.930 -8.706) 10.020 29.259 ( 1.662 -0.262 -5.035) 5.308 29.899 ( -7.420 -6.052 12.188) 15.499 30.193 ( 1.510 -7.034 2.011) 7.470 30.827 ( -17.749 -3.856 24.643) 30.613 32.304 ( 4.837 -5.446 -0.212) 7.288 33.951 ( 3.096 -1.402 1.353) 3.658 34.296 ( -7.402 1.849 -3.418) 8.360 34.563 ( 6.079 -2.916 2.551) 7.209 35.347 ( 0.333 7.814 -13.619) 15.705 ======================= Grid point 105 (43/160) ======================= q-point: ( 0.22 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 20.647 0.000 11.315) 23.544 1.294 ( 13.622 0.000 16.848) 21.666 1.824 ( 9.199 0.000 -4.761) 10.359 2.418 ( 18.310 0.000 27.023) 32.642 2.474 ( 3.671 0.000 -12.304) 12.839 2.623 ( -0.190 -0.000 -13.239) 13.241 2.962 ( -2.658 -0.000 5.728) 6.315 3.324 ( 3.072 0.000 17.736) 18.000 3.924 ( -11.568 -0.000 1.175) 11.627 3.976 ( 1.996 0.000 9.340) 9.551 4.082 ( -7.966 -0.000 13.827) 15.957 4.113 ( 0.553 0.000 -4.525) 4.559 4.386 ( 6.675 0.000 -0.483) 6.692 4.463 ( 1.260 0.000 -7.380) 7.486 4.747 ( 4.368 0.000 2.807) 5.192 4.875 ( -2.084 -0.000 2.335) 3.130 4.917 ( -0.819 -0.000 -10.913) 10.944 5.248 ( 8.225 0.000 3.837) 9.076 5.578 ( -3.255 -0.000 -1.265) 3.492 5.660 ( -0.719 -0.000 -1.411) 1.583 6.192 ( 5.478 0.000 -7.256) 9.091 6.199 ( -6.769 -0.000 0.293) 6.775 6.321 ( 7.999 0.000 -13.058) 15.313 6.351 ( -11.889 -0.000 -15.133) 19.245 6.623 ( 3.377 0.000 -16.029) 16.381 6.690 ( 7.230 0.000 -0.123) 7.232 6.879 ( 1.412 0.000 1.326) 1.937 7.031 ( -1.912 -0.000 -2.962) 3.525 7.986 ( 2.509 0.000 0.634) 2.588 8.104 ( 0.682 0.000 6.158) 6.196 8.536 ( -8.074 -0.000 1.856) 8.284 8.719 ( 5.156 0.000 0.994) 5.251 8.807 ( 3.650 0.000 2.964) 4.702 9.256 ( -8.063 -0.000 1.339) 8.173 9.263 ( -4.309 -0.000 10.397) 11.254 9.494 ( 0.112 0.000 3.380) 3.382 9.876 ( -3.693 -0.000 -5.793) 6.870 10.107 ( 0.614 0.000 -7.314) 7.340 10.919 ( -6.416 -0.000 14.146) 15.533 11.663 ( 2.556 0.000 -1.208) 2.827 11.923 ( -1.511 -0.000 -3.191) 3.530 12.333 ( 5.349 0.000 0.812) 5.410 12.611 ( 1.008 0.000 -2.734) 2.914 13.247 ( 4.694 0.000 -6.032) 7.643 13.428 ( -4.144 -0.000 -0.375) 4.161 13.678 ( 2.356 0.000 -0.487) 2.406 15.083 ( -7.130 -0.000 7.106) 10.067 15.203 ( -0.178 -0.000 0.225) 0.287 16.282 ( -6.261 -0.000 -3.872) 7.361 16.330 ( 2.849 0.000 0.301) 2.865 17.127 ( 1.315 0.000 -0.316) 1.352 17.476 ( 3.536 0.000 2.891) 4.568 17.799 ( -4.594 -0.000 -0.054) 4.595 18.227 ( -0.035 -0.000 -1.616) 1.617 18.538 ( 1.390 0.000 -2.241) 2.637 18.628 ( 3.972 0.000 -3.456) 5.265 22.138 ( 0.167 0.000 -3.983) 3.986 22.165 ( 3.658 0.000 2.116) 4.226 26.673 ( -1.012 -0.000 -2.293) 2.506 26.709 ( 5.259 0.000 -3.891) 6.542 28.131 ( -2.599 -0.000 -0.735) 2.701 28.525 ( 1.573 0.000 -4.933) 5.178 28.849 ( 0.868 0.000 3.186) 3.302 29.280 ( 2.506 0.000 -2.225) 3.351 29.944 ( -38.022 -0.000 36.518) 52.718 30.111 ( -3.918 -0.000 1.887) 4.349 30.413 ( -1.142 -0.000 5.908) 6.018 32.521 ( -0.771 -0.000 2.382) 2.503 34.062 ( 1.206 0.000 -2.825) 3.072 34.461 ( 2.431 0.000 2.104) 3.215 34.596 ( 1.036 0.000 -3.622) 3.767 34.998 ( 12.132 0.000 -9.458) 15.383 ======================= Grid point 106 (44/160) ======================= q-point: ( 0.33 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 8.571 -3.441 7.879) 12.140 1.472 ( 10.600 -2.392 7.208) 13.040 1.941 ( 15.942 -3.516 -4.254) 16.870 2.396 ( -0.843 5.327 -5.997) 8.066 2.425 ( 9.568 8.001 8.673) 15.192 2.747 ( 0.714 -7.011 -0.506) 7.065 3.044 ( -5.043 -8.030 -0.983) 9.533 3.401 ( 3.755 -0.095 9.755) 10.453 3.843 ( -8.289 -1.194 -0.670) 8.401 3.953 ( 1.836 3.775 4.034) 5.821 4.071 ( -7.794 -0.911 12.725) 14.950 4.194 ( 0.943 -3.182 3.114) 4.551 4.405 ( 6.731 1.259 -1.599) 7.032 4.456 ( 3.309 -1.105 -5.314) 6.357 4.758 ( -2.539 5.404 -1.324) 6.116 4.837 ( 1.663 -3.538 1.958) 4.372 4.945 ( 3.371 -0.917 -2.894) 4.536 5.301 ( 5.025 0.897 3.775) 6.349 5.584 ( -3.811 -5.270 -5.573) 8.565 5.710 ( 0.328 -3.697 2.978) 4.759 6.098 ( -3.040 9.325 -9.078) 13.364 6.131 ( -6.407 -2.718 -4.408) 8.238 6.237 ( 5.825 0.771 -3.228) 6.704 6.380 ( 0.345 -1.196 -9.284) 9.367 6.481 ( 1.876 8.123 -8.868) 12.172 6.778 ( 4.344 0.040 0.646) 4.392 6.897 ( 1.998 -0.139 2.665) 3.334 7.057 ( 0.302 -3.359 -3.411) 4.797 8.014 ( 3.021 1.244 2.258) 3.972 8.103 ( -0.215 0.484 0.861) 1.011 8.461 ( -7.392 1.773 0.993) 7.666 8.697 ( 3.615 3.828 1.521) 5.481 8.863 ( 1.941 1.899 2.057) 3.407 9.085 ( -1.866 1.666 0.918) 2.665 9.364 ( -6.654 -2.965 5.773) 9.295 9.446 ( 0.065 5.066 3.137) 5.959 9.898 ( -1.399 -5.324 -5.783) 7.984 10.125 ( 2.352 -2.639 -7.409) 8.209 10.910 ( -7.451 0.168 13.373) 15.309 11.640 ( 1.229 3.430 -0.721) 3.714 11.915 ( -1.865 -1.341 -3.939) 4.560 12.379 ( 4.827 -0.464 0.274) 4.857 12.591 ( 0.673 1.862 -1.930) 2.765 13.269 ( 4.117 -0.320 -5.809) 7.127 13.407 ( -3.741 -1.239 -0.607) 3.987 13.697 ( 1.983 -0.469 0.082) 2.039 15.043 ( -4.921 0.990 5.854) 7.712 15.194 ( -0.243 0.861 0.070) 0.897 16.230 ( -5.229 -0.587 -3.158) 6.136 16.397 ( 2.363 -4.798 -0.042) 5.349 17.073 ( -0.100 5.232 2.276) 5.707 17.555 ( 3.094 -2.305 2.115) 4.400 17.764 ( -4.477 -0.446 0.179) 4.502 18.217 ( 0.043 0.382 -1.895) 1.934 18.500 ( 3.749 3.885 0.064) 5.399 18.638 ( 1.123 0.484 -3.294) 3.514 22.094 ( 0.231 1.986 -2.232) 2.997 22.235 ( 2.530 -2.608 0.572) 3.678 26.634 ( 0.197 2.176 -1.401) 2.596 26.742 ( 2.818 -0.833 -2.796) 4.056 28.109 ( -2.312 -0.020 -0.761) 2.434 28.437 ( 1.203 6.220 -1.249) 6.457 28.920 ( 0.526 -4.055 -1.108) 4.237 29.292 ( 3.115 0.202 -2.503) 4.001 29.781 ( -17.595 1.908 21.706) 28.007 30.121 ( -8.674 -1.376 5.187) 10.200 30.459 ( -2.816 -4.262 7.776) 9.304 32.488 ( -2.663 2.984 1.637) 4.321 34.039 ( 1.398 2.667 -1.721) 3.469 34.387 ( 4.718 7.238 1.861) 8.838 34.629 ( -0.241 -2.098 -3.541) 4.123 35.136 ( 6.273 -7.558 -6.744) 11.915 ======================= Grid point 107 (45/160) ======================= q-point: ( 0.44 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -0.301 1.826 -0.649) 1.961 1.605 ( 7.547 -2.418 0.885) 7.974 2.034 ( 6.078 1.997 -14.704) 16.036 2.340 ( 3.216 0.500 9.484) 10.027 2.430 ( 8.499 2.690 13.255) 15.974 2.811 ( -4.081 -3.672 -3.815) 6.685 3.066 ( -6.292 0.722 -10.093) 11.916 3.440 ( 5.341 1.391 0.933) 5.598 3.873 ( 2.001 -4.806 -2.119) 5.621 3.980 ( 0.119 -4.645 3.887) 6.058 4.059 ( -7.289 1.039 9.651) 12.139 4.180 ( -6.431 0.340 3.131) 7.160 4.420 ( 4.553 2.664 1.217) 5.414 4.564 ( 7.148 -4.256 1.284) 8.418 4.669 ( 0.404 2.367 -2.787) 3.678 4.851 ( -0.416 1.674 -0.050) 1.726 5.015 ( 6.214 -3.801 -2.470) 7.692 5.333 ( 0.433 -1.090 2.205) 2.497 5.667 ( -1.885 -5.556 -4.714) 7.526 5.777 ( -2.066 -3.581 -0.481) 4.162 5.875 ( -4.774 8.533 -1.562) 9.901 6.168 ( 2.766 6.704 -13.949) 15.721 6.244 ( 4.520 6.365 2.009) 8.061 6.272 ( 0.483 -7.273 7.616) 10.542 6.442 ( -2.070 -3.801 -8.483) 9.523 6.779 ( 2.414 2.664 3.781) 5.217 6.884 ( -1.055 3.057 2.234) 3.930 7.120 ( 4.105 -2.327 -2.840) 5.508 7.975 ( 0.973 4.019 1.193) 4.304 8.111 ( 2.299 0.325 -1.217) 2.621 8.387 ( -4.790 0.778 -0.257) 4.859 8.668 ( 1.694 2.029 1.841) 3.221 8.826 ( 0.447 0.440 -0.131) 0.641 9.098 ( 0.424 -0.115 -2.773) 2.808 9.324 ( -6.271 2.689 6.202) 9.221 9.384 ( 0.818 2.494 2.620) 3.709 9.975 ( 0.298 -4.429 -4.634) 6.417 10.163 ( 3.869 -1.101 -8.450) 9.359 10.889 ( -8.004 0.273 12.431) 14.787 11.576 ( -1.224 2.615 0.969) 3.045 11.916 ( -1.064 -1.449 -4.393) 4.747 12.414 ( 4.110 0.680 -1.338) 4.375 12.551 ( 0.006 1.819 -0.155) 1.826 13.272 ( 2.893 0.627 -6.356) 7.012 13.412 ( -2.570 -1.757 0.205) 3.120 13.722 ( 1.446 -0.508 0.610) 1.650 15.021 ( -2.778 -0.172 3.762) 4.680 15.167 ( -0.185 1.713 -0.138) 1.728 16.211 ( -3.316 -1.901 -2.038) 4.332 16.534 ( 1.781 -7.860 -0.918) 8.111 16.982 ( -1.731 4.431 5.530) 7.295 17.572 ( 0.903 2.280 0.699) 2.550 17.753 ( -2.363 -0.048 2.098) 3.160 18.204 ( 0.055 0.212 -2.225) 2.236 18.466 ( 5.305 3.832 1.142) 6.644 18.608 ( -0.807 1.511 -3.169) 3.602 22.064 ( -0.371 0.393 -1.468) 1.565 22.294 ( 1.627 -1.730 0.695) 2.474 26.591 ( 0.039 2.236 -0.278) 2.253 26.766 ( 1.725 -0.884 -2.088) 2.849 28.094 ( -1.486 -0.194 -0.836) 1.716 28.347 ( 2.026 4.126 -1.397) 4.804 28.977 ( -0.015 -2.659 -2.372) 3.563 29.302 ( 3.778 0.308 -4.559) 5.929 29.742 ( -8.125 -1.261 13.068) 15.439 30.063 ( -6.199 2.257 3.480) 7.459 30.568 ( -4.926 -6.650 10.773) 13.585 32.386 ( -2.846 5.593 0.371) 6.287 33.984 ( -0.020 2.996 -0.928) 3.136 34.310 ( 4.202 5.269 2.431) 7.164 34.640 ( 0.462 -0.234 -3.823) 3.858 35.286 ( 2.866 -6.387 -4.022) 8.074 ======================= Grid point 108 (46/160) ======================= q-point: ( 0.56 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -0.518 3.790 0.116) 3.827 1.680 ( 4.625 -3.030 -4.528) 7.146 1.960 ( -0.183 1.414 -13.495) 13.570 2.343 ( -0.480 4.091 2.793) 4.977 2.522 ( 8.556 2.033 17.328) 19.432 2.881 ( -7.570 -1.066 3.995) 8.625 2.924 ( 1.871 -3.404 -14.972) 15.468 3.412 ( 2.713 5.371 1.176) 6.131 3.932 ( -2.416 3.807 -0.675) 4.559 3.999 ( -1.881 -1.428 0.587) 2.434 4.088 ( -2.444 -1.751 7.584) 8.158 4.219 ( -1.580 -9.125 2.802) 9.675 4.398 ( 1.435 2.110 1.569) 2.996 4.588 ( 1.257 5.482 1.178) 5.746 4.650 ( 2.783 0.281 -8.151) 8.618 4.870 ( 2.856 -1.332 4.024) 5.111 5.145 ( 4.117 -5.875 -5.877) 9.274 5.356 ( -1.401 -1.712 2.695) 3.487 5.627 ( -0.837 4.215 -1.369) 4.510 5.765 ( -1.548 -2.851 -2.245) 3.945 5.858 ( -3.960 0.980 -4.115) 5.794 5.890 ( -1.692 9.869 -6.025) 11.686 6.197 ( 4.819 4.109 -3.287) 7.135 6.462 ( -0.100 -1.124 0.098) 1.133 6.574 ( 4.052 -15.233 7.704) 17.545 6.717 ( -1.506 4.515 0.080) 4.760 6.853 ( 0.418 0.449 4.434) 4.476 7.156 ( 4.174 1.078 -2.804) 5.143 7.914 ( -0.791 2.616 -0.229) 2.743 8.106 ( 3.759 2.119 -1.571) 4.592 8.355 ( -3.317 -0.280 0.524) 3.369 8.661 ( -0.101 -0.486 0.963) 1.083 8.871 ( 0.960 -4.520 -3.254) 5.652 9.067 ( -0.745 1.357 -0.181) 1.559 9.236 ( -2.810 4.474 4.556) 6.977 9.365 ( -0.766 1.584 3.313) 3.752 10.006 ( -0.295 0.963 -2.341) 2.549 10.173 ( 5.975 -0.280 -11.320) 12.803 10.869 ( -7.439 -0.324 12.214) 14.305 11.552 ( -1.684 -1.030 2.037) 2.836 11.927 ( 0.562 -1.521 -4.442) 4.729 12.389 ( 2.256 3.591 -3.090) 5.247 12.541 ( 0.139 -0.447 1.432) 1.506 13.255 ( 2.789 0.890 -7.346) 7.908 13.430 ( -1.716 -1.572 1.572) 2.809 13.736 ( 0.602 0.272 0.656) 0.931 15.028 ( -1.545 -1.121 2.008) 2.770 15.129 ( 0.020 2.133 -0.132) 2.138 16.238 ( -1.209 -3.208 -0.675) 3.494 16.685 ( 0.773 -6.893 -2.894) 7.515 16.935 ( -2.262 1.149 9.170) 9.514 17.522 ( -0.051 2.910 1.168) 3.136 17.713 ( -1.885 3.724 1.981) 4.620 18.198 ( 0.091 -0.336 -2.864) 2.886 18.433 ( 4.209 4.033 0.685) 5.870 18.559 ( -1.080 1.686 -2.150) 2.938 22.066 ( -0.329 -1.161 -0.669) 1.380 22.328 ( 0.536 -0.754 0.693) 1.156 26.550 ( -0.287 2.049 0.393) 2.106 26.790 ( 1.154 -1.233 -1.915) 2.553 28.089 ( -0.426 -0.451 -1.064) 1.232 28.296 ( 1.764 2.540 -1.882) 3.621 29.011 ( -0.024 -1.879 -1.580) 2.455 29.308 ( 4.578 0.205 -7.928) 9.157 29.770 ( -4.181 -2.520 8.969) 10.211 29.986 ( -3.146 2.600 1.137) 4.237 30.687 ( -5.706 -5.735 13.343) 15.604 32.259 ( -2.023 5.496 -0.287) 5.864 33.929 ( -0.431 2.181 -0.378) 2.255 34.273 ( 1.403 1.800 2.093) 3.096 34.619 ( 1.884 2.141 -2.567) 3.837 35.390 ( 1.294 -4.277 -3.060) 5.416 ======================= Grid point 109 (47/160) ======================= q-point: (-0.33 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 0.071 2.596 1.327) 2.916 1.806 ( 5.619 -5.106 -4.743) 8.953 1.881 ( 2.653 4.231 -3.733) 6.236 2.248 ( -3.461 0.917 -3.302) 4.871 2.496 ( 3.754 10.184 -6.181) 12.490 2.819 ( -2.187 -2.981 11.595) 12.170 3.140 ( -0.906 -11.949 0.775) 12.008 3.291 ( -1.910 8.663 3.421) 9.508 3.806 ( -4.327 3.079 -3.742) 6.497 4.010 ( 0.346 0.504 -1.396) 1.524 4.083 ( -2.107 1.702 9.567) 9.943 4.315 ( -1.044 2.398 6.237) 6.763 4.453 ( -1.954 7.789 -0.133) 8.032 4.508 ( 2.722 -13.194 -4.179) 14.105 4.622 ( 4.515 2.843 -4.178) 6.777 4.863 ( -0.124 4.925 3.280) 5.919 5.175 ( 4.024 1.421 -3.457) 5.492 5.496 ( 3.440 -0.293 -0.561) 3.498 5.533 ( -7.943 3.308 -6.851) 10.998 5.622 ( 2.129 0.558 2.217) 3.124 5.827 ( 0.373 -3.495 -1.436) 3.797 5.887 ( -4.732 -3.793 -6.735) 9.064 6.146 ( 4.520 3.195 -4.186) 6.940 6.474 ( 2.451 1.619 5.785) 6.488 6.628 ( -4.335 1.216 -4.395) 6.292 6.796 ( -1.015 -2.470 -5.232) 5.874 6.951 ( 5.585 -6.658 12.224) 14.998 7.158 ( 3.278 -0.333 1.514) 3.626 7.859 ( -3.004 1.732 -0.770) 3.552 8.068 ( 3.873 3.942 -6.375) 8.437 8.354 ( -3.703 -1.835 5.679) 7.024 8.704 ( -0.096 -4.101 -0.710) 4.164 8.924 ( 0.867 -0.993 -6.118) 6.258 9.053 ( 1.858 3.026 0.966) 3.679 9.188 ( -1.959 -1.476 4.122) 4.796 9.327 ( -2.987 1.762 6.051) 6.975 9.920 ( 0.248 5.623 -2.725) 6.253 10.200 ( 5.477 -1.416 -11.482) 12.800 10.870 ( -6.144 -0.770 12.712) 14.140 11.596 ( -0.683 -3.240 2.162) 3.954 11.955 ( 2.006 -2.246 -4.885) 5.739 12.317 ( 1.296 3.846 -3.480) 5.347 12.563 ( -0.662 -1.265 1.526) 2.090 13.238 ( 3.401 0.625 -8.202) 8.901 13.456 ( -0.844 -1.382 2.813) 3.245 13.723 ( -0.159 1.366 0.413) 1.436 15.042 ( -0.747 -0.155 0.941) 1.211 15.097 ( 0.063 0.745 0.297) 0.804 16.299 ( 0.039 -3.441 0.651) 3.502 16.749 ( -0.162 -0.819 -4.243) 4.324 16.973 ( -1.160 -2.364 11.899) 12.187 17.496 ( -1.011 -0.594 1.243) 1.709 17.600 ( -2.842 6.484 1.099) 7.165 18.198 ( 0.503 -0.454 -3.516) 3.581 18.387 ( 1.682 3.252 0.500) 3.695 18.522 ( 0.135 1.119 -0.977) 1.492 22.096 ( 0.512 -1.959 0.110) 2.028 22.333 ( -0.855 0.263 0.268) 0.934 26.515 ( -0.161 1.583 0.922) 1.839 26.815 ( 0.751 -1.189 -2.075) 2.507 28.097 ( 0.598 -0.708 -1.233) 1.543 28.260 ( 0.685 1.852 -1.561) 2.517 29.040 ( -0.021 -1.596 -0.586) 1.700 29.310 ( 5.532 0.372 -11.264) 12.555 29.818 ( -3.618 -2.136 8.324) 9.325 29.938 ( -0.040 0.618 -1.580) 1.697 30.773 ( -6.386 -3.240 15.108) 16.719 32.166 ( -0.939 2.798 -0.061) 2.952 33.901 ( 0.484 0.739 0.251) 0.918 34.270 ( -2.960 -1.578 -0.499) 3.391 34.581 ( 4.359 3.818 1.051) 5.889 35.446 ( 0.305 -2.292 -3.896) 4.531 ======================= Grid point 110 (48/160) ======================= q-point: (-0.22 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 2.482 -1.023 -1.063) 2.888 1.657 ( 8.200 16.345 3.541) 18.626 1.994 ( 0.999 -4.414 -1.085) 4.654 2.229 ( -7.043 9.850 -7.853) 14.432 2.299 ( 5.175 -3.950 -10.938) 12.729 2.954 ( 3.733 -4.437 9.393) 11.038 3.109 ( -5.502 7.478 7.772) 12.108 3.267 ( -5.699 -3.525 0.599) 6.727 3.783 ( -1.744 -4.400 -4.662) 6.644 3.985 ( 1.855 2.073 -0.484) 2.823 4.076 ( 1.949 1.413 3.638) 4.362 4.279 ( -6.333 1.835 13.675) 15.182 4.286 ( -2.733 6.229 1.732) 7.019 4.586 ( 6.626 3.957 0.554) 7.737 4.721 ( -0.192 1.994 -0.629) 2.100 4.823 ( 5.738 -8.497 -6.763) 12.283 5.091 ( -0.028 13.309 0.091) 13.310 5.287 ( 0.675 0.211 -2.114) 2.230 5.586 ( -1.371 2.176 -3.493) 4.338 5.713 ( 0.705 -6.479 -0.561) 6.542 5.839 ( 1.048 0.569 1.478) 1.899 5.977 ( -3.465 -9.497 -9.508) 13.878 6.143 ( 2.599 -1.548 -3.032) 4.283 6.484 ( 4.941 2.788 8.324) 10.074 6.570 ( -4.316 -0.468 -4.720) 6.413 6.775 ( -2.464 -1.085 -10.428) 10.770 7.058 ( -1.816 -1.308 4.913) 5.399 7.262 ( 5.439 -2.578 6.928) 9.177 7.780 ( -3.434 4.068 -2.423) 5.849 8.004 ( 3.190 1.523 -7.470) 8.264 8.411 ( -3.439 -3.934 8.569) 10.037 8.778 ( -1.804 -3.116 -3.430) 4.973 8.916 ( 2.607 -0.370 -4.873) 5.539 8.978 ( 3.216 5.512 2.168) 6.740 9.202 ( -1.763 1.228 2.572) 3.351 9.321 ( -3.937 -0.130 7.289) 8.285 9.868 ( 2.213 -1.825 -1.838) 3.407 10.217 ( 4.249 -0.404 -11.976) 12.714 10.884 ( -5.071 -0.651 13.464) 14.403 11.646 ( -0.818 -1.257 2.440) 2.864 12.013 ( 2.499 -3.966 -6.670) 8.152 12.257 ( 1.651 2.398 -3.165) 4.300 12.583 ( -2.035 -1.484 0.981) 2.703 13.233 ( 4.143 -0.075 -8.598) 9.544 13.486 ( -0.111 -1.045 3.740) 3.885 13.688 ( -0.341 2.190 0.177) 2.223 15.023 ( 0.066 1.702 1.488) 2.262 15.111 ( -0.293 -1.664 0.282) 1.713 16.359 ( -0.529 -2.465 1.427) 2.897 16.699 ( 1.492 4.942 -3.621) 6.306 17.059 ( -1.931 -3.270 12.311) 12.883 17.438 ( -3.158 5.835 0.547) 6.657 17.557 ( -1.423 -4.365 0.856) 4.670 18.197 ( 1.343 -0.028 -3.414) 3.669 18.343 ( 0.010 2.459 1.177) 2.726 18.521 ( 1.256 -0.856 -0.842) 1.737 22.141 ( 1.607 -1.680 0.609) 2.404 22.306 ( -2.529 1.230 -0.590) 2.873 26.498 ( 0.461 0.784 1.428) 1.693 26.826 ( 0.271 -0.265 -2.428) 2.458 28.117 ( 1.496 -1.008 -0.972) 2.049 28.226 ( -0.349 1.374 -1.092) 1.790 29.067 ( -0.180 -1.472 -0.576) 1.591 29.300 ( 5.986 1.199 -13.009) 14.370 29.830 ( -4.434 0.107 7.790) 8.964 29.974 ( 1.535 -3.958 -1.221) 4.418 30.807 ( -7.810 -0.616 16.208) 18.002 32.150 ( 0.601 -1.368 0.569) 1.599 33.910 ( 1.949 -0.478 1.074) 2.276 34.266 ( -7.606 -2.654 -4.563) 9.258 34.567 ( 7.135 3.043 5.458) 9.485 35.453 ( -0.341 -0.143 -5.955) 5.966 ======================= Grid point 111 (49/160) ======================= q-point: (-0.11 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 6.275 2.253 -1.876) 6.926 1.447 ( 13.207 16.924 11.108) 24.171 1.953 ( -4.432 6.300 -1.092) 7.780 1.957 ( 0.465 10.005 -5.969) 11.659 2.380 ( 2.751 -2.736 -13.817) 14.351 3.007 ( -0.862 0.242 10.336) 10.374 3.089 ( 5.204 0.858 3.172) 6.154 3.250 ( -5.768 -1.139 1.948) 6.194 3.858 ( -0.450 -4.562 -3.597) 5.827 3.971 ( 1.151 1.574 4.797) 5.178 4.071 ( -0.878 1.030 3.114) 3.396 4.186 ( -2.578 2.482 9.532) 10.182 4.296 ( -3.440 -2.405 6.914) 8.088 4.515 ( 3.641 8.473 3.187) 9.758 4.690 ( 1.087 -1.613 0.561) 2.024 4.814 ( -1.031 9.067 -4.982) 10.397 5.006 ( 6.299 -2.710 -10.057) 12.172 5.368 ( 3.857 -2.719 3.159) 5.679 5.500 ( -1.903 2.716 -1.254) 3.545 5.799 ( -0.149 -3.006 -4.349) 5.289 5.869 ( 2.214 -2.111 5.267) 6.091 6.088 ( 2.847 -6.595 -8.218) 10.914 6.188 ( -2.940 -3.456 -4.113) 6.124 6.462 ( -1.517 1.649 -4.550) 5.072 6.592 ( -0.685 -3.138 5.040) 5.976 6.751 ( -0.891 -1.674 -11.460) 11.616 7.061 ( -3.570 -0.112 3.616) 5.082 7.264 ( -4.241 4.688 -4.991) 8.054 7.704 ( 3.023 1.413 5.112) 6.105 8.035 ( 3.730 -3.780 -5.847) 7.898 8.472 ( -2.617 -2.243 6.377) 7.249 8.726 ( -2.873 3.258 -5.886) 7.315 8.860 ( 1.369 6.347 0.738) 6.535 9.060 ( 3.411 -7.874 1.659) 8.740 9.161 ( -0.072 1.916 1.516) 2.444 9.312 ( -3.001 -0.409 7.695) 8.269 9.980 ( 2.853 -5.753 0.251) 6.427 10.201 ( 3.360 0.555 -13.015) 13.453 10.902 ( -4.635 -0.240 13.974) 14.725 11.644 ( -2.454 0.646 2.852) 3.818 12.074 ( 1.048 -3.040 -9.041) 9.596 12.236 ( 3.155 0.823 -1.859) 3.753 12.592 ( -2.970 -1.377 -0.105) 3.275 13.246 ( 4.400 -0.730 -8.669) 9.749 13.512 ( -0.548 -0.312 4.010) 4.060 13.647 ( 0.879 2.110 0.164) 2.292 15.006 ( 0.173 0.740 3.333) 3.418 15.144 ( -0.287 -1.849 0.119) 1.875 16.388 ( -2.288 -1.418 0.687) 2.778 16.579 ( 3.121 8.140 -2.208) 8.993 17.098 ( -7.561 -0.163 6.463) 9.949 17.390 ( 3.758 -0.884 6.568) 7.619 17.644 ( -1.551 -5.470 0.100) 5.686 18.201 ( 1.978 -0.154 -2.743) 3.385 18.305 ( 0.016 2.076 2.257) 3.066 18.560 ( 2.016 -2.116 -1.767) 3.415 22.180 ( 2.179 -0.503 0.546) 2.302 22.246 ( -3.922 1.936 -1.594) 4.655 26.505 ( 1.467 -0.288 1.693) 2.258 26.811 ( -0.167 1.054 -2.717) 2.919 28.154 ( 1.781 -1.754 0.170) 2.506 28.198 ( -0.437 0.718 -0.844) 1.191 29.079 ( 0.133 -0.141 -3.297) 3.303 29.274 ( 5.185 1.546 -11.170) 12.411 29.823 ( -5.614 -1.008 8.820) 10.503 30.078 ( 0.141 -6.117 1.099) 6.217 30.784 ( -10.938 1.460 17.131) 20.377 32.229 ( 2.408 -5.245 1.216) 5.898 33.957 ( 4.235 -1.504 2.074) 4.949 34.217 ( -9.185 -0.954 -5.351) 10.672 34.609 ( 6.390 0.405 5.209) 8.254 35.403 ( -0.173 2.908 -8.944) 9.406 ======================= Grid point 115 (50/160) ======================= q-point: ( 0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 1.908 0.000 5.743) 6.051 1.584 ( 13.047 0.000 7.913) 15.259 2.041 ( 22.379 0.000 -2.548) 22.524 2.395 ( -6.320 -0.000 -6.855) 9.323 2.526 ( 1.203 0.000 -13.648) 13.701 2.762 ( 6.178 0.000 13.635) 14.969 2.893 ( -8.362 -0.000 1.270) 8.458 3.440 ( -0.843 -0.000 10.236) 10.271 3.756 ( -9.397 -0.000 -0.718) 9.424 3.997 ( -9.420 -0.000 7.573) 12.086 4.136 ( 8.292 0.000 6.914) 10.796 4.149 ( 5.143 0.000 -0.485) 5.166 4.420 ( 1.036 0.000 -10.040) 10.094 4.453 ( 2.211 0.000 -1.646) 2.756 4.781 ( -0.988 -0.000 -0.915) 1.346 4.859 ( -2.903 -0.000 5.675) 6.375 4.919 ( 7.142 0.000 -2.951) 7.728 5.386 ( 5.125 0.000 4.731) 6.975 5.477 ( -6.058 -0.000 -2.328) 6.490 5.688 ( 1.754 0.000 1.793) 2.509 6.024 ( -7.408 -0.000 -4.612) 8.726 6.116 ( -6.044 -0.000 -8.339) 10.299 6.270 ( 5.447 0.000 -8.262) 9.896 6.379 ( 8.193 0.000 -5.383) 9.803 6.588 ( 2.496 0.000 -7.554) 7.956 6.817 ( 6.949 0.000 3.285) 7.686 6.927 ( 1.184 0.000 6.749) 6.852 6.994 ( 0.236 0.000 -4.662) 4.668 8.054 ( 4.598 0.000 3.444) 5.745 8.121 ( -1.749 -0.000 2.771) 3.277 8.418 ( -8.513 -0.000 1.350) 8.619 8.793 ( 4.698 0.000 -1.195) 4.847 8.871 ( 2.710 0.000 1.209) 2.968 9.156 ( -5.793 -0.000 -0.594) 5.823 9.216 ( -9.241 -0.000 8.372) 12.470 9.526 ( 0.755 0.000 2.746) 2.848 9.793 ( -2.152 -0.000 -5.087) 5.523 10.099 ( 5.274 0.000 -9.472) 10.841 10.896 ( -8.355 -0.000 13.442) 15.827 11.692 ( 2.743 0.000 -2.622) 3.795 11.879 ( -1.210 -0.000 -3.416) 3.624 12.402 ( 2.993 0.000 -0.641) 3.060 12.612 ( 1.300 0.000 -2.286) 2.629 13.282 ( 3.923 0.000 -4.205) 5.751 13.366 ( -2.497 -0.000 -1.203) 2.772 13.705 ( 1.529 0.000 -0.128) 1.535 15.030 ( -5.531 -0.000 5.813) 8.024 15.200 ( -0.206 -0.000 0.108) 0.233 16.179 ( -4.077 -0.000 -2.468) 4.766 16.365 ( 1.564 0.000 -0.377) 1.609 17.144 ( 0.736 0.000 1.686) 1.840 17.564 ( 4.695 0.000 4.146) 6.264 17.711 ( -5.778 -0.000 -1.852) 6.068 18.215 ( 0.184 0.000 -2.316) 2.323 18.548 ( 1.585 0.000 -1.649) 2.287 18.646 ( 1.059 0.000 -1.844) 2.126 22.120 ( 0.926 0.000 -3.973) 4.080 22.222 ( 2.075 0.000 1.206) 2.400 26.647 ( -0.427 -0.000 -1.659) 1.713 26.752 ( 3.413 0.000 -2.644) 4.318 28.090 ( -1.924 -0.000 -0.748) 2.065 28.491 ( -1.696 -0.000 -4.316) 4.637 28.888 ( 0.977 0.000 3.789) 3.913 29.312 ( 3.029 0.000 -0.976) 3.183 29.727 ( -19.301 -0.000 24.630) 31.292 30.066 ( -3.099 -0.000 1.173) 3.313 30.431 ( -2.070 -0.000 6.794) 7.102 32.493 ( -3.912 -0.000 0.485) 3.942 34.090 ( 3.399 0.000 -0.513) 3.438 34.501 ( 1.296 0.000 1.264) 1.810 34.588 ( 0.940 0.000 -3.051) 3.192 35.084 ( 6.633 0.000 -6.304) 9.151 ======================= Grid point 116 (51/160) ======================= q-point: ( 0.44 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -1.668 -0.487 1.331) 2.189 1.675 ( 9.413 1.201 0.642) 9.511 2.133 ( 9.318 6.814 -9.823) 15.157 2.343 ( -4.419 -2.261 0.484) 4.987 2.514 ( 8.524 -2.627 0.669) 8.944 2.803 ( 0.526 2.879 5.402) 6.143 2.908 ( -9.216 -6.994 -4.287) 12.338 3.461 ( -0.797 -1.229 0.483) 1.542 3.736 ( -5.419 -5.228 -2.104) 7.818 3.958 ( -6.763 -0.861 3.892) 7.850 4.088 ( 4.734 4.488 4.210) 7.764 4.193 ( -3.260 3.519 -0.575) 4.832 4.455 ( 0.139 -0.325 -2.519) 2.544 4.512 ( 7.858 -7.591 -2.586) 11.228 4.738 ( 0.993 3.946 0.593) 4.112 4.849 ( -1.994 0.260 4.111) 4.577 5.005 ( 5.785 -3.067 -3.252) 7.311 5.359 ( -2.979 3.233 4.826) 6.528 5.518 ( -1.150 -6.483 0.552) 6.607 5.710 ( -0.809 -1.043 -4.202) 4.404 6.016 ( 1.131 6.921 0.812) 7.060 6.044 ( -3.294 -8.103 -3.026) 9.255 6.260 ( 4.009 2.055 -11.125) 12.002 6.404 ( 5.464 3.481 2.184) 6.837 6.499 ( 4.793 6.526 -1.482) 8.231 6.857 ( 3.589 1.762 3.881) 5.572 6.942 ( -1.186 2.224 5.527) 6.075 7.054 ( 2.658 -5.560 -2.781) 6.761 8.060 ( -0.108 3.904 0.801) 3.987 8.125 ( 3.516 -0.820 2.091) 4.172 8.358 ( -6.659 0.276 1.090) 6.753 8.749 ( 2.521 4.532 -0.491) 5.209 8.885 ( -0.104 3.978 0.625) 4.028 9.064 ( -0.537 -1.818 -1.431) 2.375 9.268 ( -9.311 -3.984 3.754) 10.801 9.467 ( 0.018 4.957 2.117) 5.390 9.853 ( -0.348 -6.625 -3.889) 7.690 10.133 ( 5.973 -1.965 -9.764) 11.613 10.872 ( -8.822 0.273 12.865) 15.602 11.651 ( 1.223 4.603 -1.718) 5.063 11.872 ( -0.426 -1.093 -3.661) 3.844 12.425 ( 1.568 -0.971 -2.357) 2.993 12.594 ( 0.953 2.085 -1.132) 2.556 13.287 ( 2.312 0.659 -3.703) 4.415 13.368 ( -0.272 -1.475 -0.900) 1.749 13.721 ( 1.058 -0.615 0.134) 1.231 15.007 ( -4.207 0.021 4.505) 6.164 15.191 ( -0.107 0.905 0.081) 0.915 16.157 ( -2.004 -0.991 -1.351) 2.612 16.417 ( 0.733 -4.803 -1.177) 4.999 17.096 ( 0.432 5.550 4.377) 7.081 17.615 ( 2.165 0.816 1.610) 2.818 17.693 ( -3.677 -3.242 0.010) 4.902 18.205 ( 0.288 0.422 -2.684) 2.732 18.551 ( 3.043 0.767 -0.476) 3.174 18.622 ( -0.610 2.118 -2.165) 3.089 22.088 ( 0.997 2.088 -2.504) 3.409 22.264 ( 0.778 -2.280 -0.113) 2.411 26.627 ( 0.190 1.491 -0.855) 1.729 26.767 ( 2.324 -0.019 -2.031) 3.086 28.078 ( -1.078 -0.215 -0.618) 1.261 28.422 ( -0.890 3.503 -3.674) 5.154 28.929 ( 0.342 -2.057 1.759) 2.728 29.328 ( 3.001 0.554 -1.081) 3.238 29.690 ( -11.729 -1.497 18.077) 21.601 30.051 ( -3.954 0.166 2.013) 4.440 30.470 ( -2.765 -3.677 8.274) 9.467 32.436 ( -3.949 2.644 -1.243) 4.913 34.067 ( 2.393 4.325 0.523) 4.970 34.447 ( 1.614 5.680 1.042) 5.996 34.613 ( 1.354 -2.073 -2.953) 3.854 35.174 ( 3.767 -5.910 -4.582) 8.373 ======================= Grid point 117 (52/160) ======================= q-point: ( 0.56 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -1.053 1.569 -1.613) 2.485 1.695 ( 4.915 0.737 -4.856) 6.949 1.967 ( -1.616 5.935 -10.946) 12.556 2.373 ( -2.722 -1.565 3.162) 4.456 2.699 ( 9.478 1.356 18.618) 20.936 2.753 ( 0.116 -3.221 -1.977) 3.781 2.897 ( -4.362 0.359 -13.373) 14.071 3.478 ( -0.207 -0.376 -2.089) 2.133 3.859 ( -2.781 -11.260 -5.298) 12.751 3.951 ( -6.910 -0.937 0.126) 6.974 4.047 ( 2.870 2.132 1.186) 3.767 4.122 ( -4.674 0.133 6.710) 8.179 4.444 ( -0.212 0.679 -1.673) 1.817 4.631 ( -3.398 -0.524 -3.098) 4.628 4.677 ( 2.651 2.754 -1.796) 4.223 4.875 ( 4.830 -2.108 5.315) 7.484 5.094 ( 7.055 -2.734 -3.514) 8.342 5.309 ( -6.392 -0.751 3.585) 7.367 5.658 ( 2.820 -6.211 -0.322) 6.828 5.689 ( -3.226 -0.870 -8.991) 9.592 5.873 ( 2.488 10.322 6.335) 12.364 6.098 ( -0.722 8.698 -11.532) 14.462 6.191 ( -3.448 -4.343 -5.361) 7.713 6.384 ( 5.718 0.415 2.171) 6.131 6.548 ( 10.128 -3.054 13.675) 17.290 6.815 ( -1.693 5.961 1.487) 6.373 6.895 ( 0.318 1.721 7.218) 7.427 7.153 ( 1.864 -2.909 -3.098) 4.640 7.967 ( -1.753 4.275 -2.425) 5.218 8.167 ( 4.557 0.882 2.134) 5.109 8.325 ( -3.095 -0.536 -0.207) 3.148 8.681 ( -0.878 3.026 -0.609) 3.209 8.835 ( 1.712 0.499 -0.301) 1.808 9.090 ( 0.847 0.378 -1.963) 2.171 9.249 ( -7.410 -0.362 3.449) 8.181 9.406 ( -0.075 2.311 1.878) 2.979 9.952 ( 0.280 -4.612 -3.633) 5.877 10.178 ( 6.234 -0.978 -10.475) 12.229 10.843 ( -8.375 -0.125 12.217) 14.813 11.570 ( -0.368 3.191 0.934) 3.346 11.888 ( 1.023 -1.696 -3.770) 4.259 12.430 ( 0.349 0.483 -4.558) 4.597 12.557 ( 0.393 1.759 1.070) 2.097 13.273 ( 2.557 1.154 -5.176) 5.887 13.399 ( 0.128 -1.671 1.063) 1.984 13.738 ( 0.224 -0.411 0.259) 0.535 15.001 ( -2.672 -0.863 2.756) 3.935 15.166 ( 0.141 1.704 0.033) 1.710 16.180 ( 0.290 -2.378 0.017) 2.396 16.536 ( -0.104 -7.679 -2.286) 8.013 17.011 ( -0.496 4.861 7.852) 9.249 17.585 ( 0.010 2.776 0.726) 2.870 17.725 ( -2.106 -0.702 0.397) 2.255 18.189 ( 0.250 0.346 -3.241) 3.269 18.541 ( 1.415 4.352 -0.574) 4.612 18.569 ( 0.653 0.429 -1.381) 1.586 22.060 ( 0.795 0.692 -0.933) 1.408 22.303 ( -0.473 -1.799 -0.705) 1.989 26.592 ( 0.357 2.234 0.133) 2.266 26.776 ( 1.199 -0.403 -1.944) 2.320 28.078 ( 0.002 -0.380 -0.443) 0.583 28.347 ( 0.162 2.794 -3.774) 4.698 28.973 ( 0.609 -2.005 -0.370) 2.128 29.329 ( 3.016 0.910 -3.177) 4.474 29.716 ( -6.375 -2.780 12.761) 14.533 30.008 ( -2.980 1.835 1.443) 3.786 30.574 ( -3.934 -6.192 11.406) 13.561 32.334 ( -2.822 4.570 -2.391) 5.879 33.995 ( 1.169 4.432 0.951) 4.681 34.345 ( -0.710 5.279 -0.183) 5.329 34.654 ( 3.537 -0.612 -0.913) 3.704 35.294 ( 1.491 -5.653 -3.603) 6.868 ======================= Grid point 118 (53/160) ======================= q-point: (-0.33 -0.67 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -0.323 2.736 -0.012) 2.755 1.743 ( 6.406 -3.590 -2.937) 7.908 1.877 ( -0.507 -1.046 -8.886) 8.962 2.322 ( -4.183 5.288 1.394) 6.885 2.695 ( 7.151 8.025 -10.532) 15.049 2.782 ( -8.882 -2.178 16.946) 19.256 2.942 ( 6.090 -7.007 -1.406) 9.390 3.419 ( -2.918 5.432 -0.237) 6.171 3.833 ( -3.552 3.149 -5.824) 7.513 4.015 ( 0.180 -2.096 -0.556) 2.176 4.098 ( -4.483 -0.833 10.573) 11.515 4.176 ( -2.240 -11.680 -2.683) 12.192 4.408 ( -0.615 2.680 1.090) 2.958 4.551 ( -5.851 0.380 -4.241) 7.237 4.668 ( 4.650 0.754 -3.745) 6.019 4.946 ( 1.838 1.916 4.903) 5.576 5.181 ( 6.097 -1.433 -4.476) 7.698 5.348 ( -2.630 -7.125 4.693) 8.928 5.611 ( -5.091 3.576 -13.841) 15.175 5.695 ( 5.361 5.468 4.452) 8.857 5.814 ( -0.985 -1.891 -3.954) 4.492 5.869 ( 1.859 8.577 -1.170) 8.853 6.188 ( -0.315 0.368 -7.185) 7.202 6.448 ( 1.739 -2.639 2.045) 3.765 6.672 ( -4.000 5.709 -0.469) 6.986 6.783 ( 7.546 -3.748 12.335) 14.938 6.932 ( 3.861 -2.696 9.968) 11.025 7.166 ( 0.062 -0.358 -3.160) 3.181 7.869 ( -3.420 2.823 -3.572) 5.695 8.165 ( 4.725 3.769 -1.142) 6.151 8.321 ( -2.264 -0.851 1.747) 2.984 8.643 ( -1.850 -1.042 -0.859) 2.290 8.873 ( 2.430 -2.416 -3.744) 5.075 9.078 ( 1.133 0.382 2.512) 2.782 9.200 ( -4.628 1.578 2.406) 5.450 9.369 ( -1.411 2.375 2.718) 3.876 9.980 ( -0.398 0.900 -3.436) 3.574 10.196 ( 6.919 0.040 -11.427) 13.358 10.838 ( -7.099 -1.327 12.219) 14.194 11.554 ( -0.180 -1.133 2.707) 2.940 11.922 ( 2.537 -1.708 -3.970) 5.011 12.377 ( -0.260 2.992 -5.127) 5.942 12.548 ( -0.501 -0.039 1.820) 1.889 13.253 ( 3.183 1.071 -7.123) 7.875 13.438 ( 0.494 -1.514 3.212) 3.585 13.737 ( -0.686 0.405 -0.040) 0.797 15.015 ( -1.591 -1.531 1.381) 2.604 15.132 ( 0.351 2.078 0.166) 2.114 16.246 ( 1.937 -3.251 1.311) 4.005 16.662 ( -0.684 -6.362 -3.143) 7.129 16.982 ( -0.794 0.577 10.698) 10.743 17.529 ( -0.068 3.258 1.554) 3.610 17.671 ( -3.691 3.834 -1.101) 5.435 18.178 ( 0.385 -0.371 -3.947) 3.983 18.454 ( -1.896 3.572 -0.749) 4.112 18.564 ( 3.050 1.998 -0.199) 3.651 22.073 ( 1.316 -1.221 0.527) 1.871 22.316 ( -1.815 -0.776 -1.092) 2.256 26.554 ( 0.202 2.128 0.860) 2.304 26.791 ( 0.654 -1.063 -2.131) 2.470 28.089 ( 0.952 -0.531 -0.486) 1.194 28.291 ( -0.149 2.026 -3.261) 3.842 29.012 ( 1.290 -1.638 -1.086) 2.350 29.323 ( 3.631 0.606 -7.005) 7.914 29.770 ( -3.887 -2.908 9.657) 10.808 29.958 ( -0.867 1.947 -0.332) 2.157 30.696 ( -5.013 -5.371 14.238) 16.021 32.222 ( -1.539 4.302 -2.096) 5.027 33.942 ( 1.573 2.533 1.319) 3.261 34.248 ( -3.773 2.679 -2.077) 5.073 34.677 ( 4.551 1.659 2.350) 5.384 35.377 ( 0.549 -3.790 -4.214) 5.695 ======================= Grid point 119 (54/160) ======================= q-point: (-0.22 -0.67 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 0.022 1.957 0.922) 2.164 1.877 ( 0.484 -6.207 0.375) 6.237 1.924 ( 10.073 -0.287 -4.702) 11.120 2.176 ( -3.847 4.577 -0.764) 6.027 2.475 ( 4.409 11.905 -14.351) 19.161 2.913 ( -2.988 -6.467 20.097) 21.323 3.079 ( -2.994 -6.542 -3.176) 7.865 3.243 ( -6.615 8.407 1.814) 10.850 3.768 ( 3.506 1.924 -2.913) 4.948 3.999 ( -2.498 0.537 -0.517) 2.607 4.116 ( 0.067 -0.498 4.812) 4.838 4.292 ( -8.260 -1.326 7.927) 11.525 4.370 ( -2.871 3.192 -3.473) 5.522 4.570 ( 4.479 -7.568 -0.020) 8.794 4.695 ( 5.786 -0.360 -2.365) 6.261 4.880 ( 1.500 5.135 -1.598) 5.583 5.214 ( 0.878 0.832 -2.042) 2.374 5.358 ( -2.807 9.209 -8.947) 13.142 5.542 ( -2.840 -8.392 3.329) 9.464 5.669 ( 2.774 1.191 1.399) 3.327 5.787 ( 0.628 -1.029 -3.198) 3.418 5.856 ( 2.076 0.241 -0.417) 2.131 6.159 ( 2.500 0.363 -7.827) 8.225 6.518 ( 0.761 -3.026 2.455) 3.970 6.553 ( -3.723 3.457 -2.778) 5.790 6.797 ( 2.148 4.703 3.488) 6.237 7.031 ( -1.651 -1.092 0.969) 2.203 7.260 ( 5.692 -5.196 6.578) 10.133 7.791 ( -3.753 1.427 -2.377) 4.666 8.087 ( 3.929 5.895 -5.833) 9.176 8.343 ( -3.347 -2.576 6.834) 8.034 8.685 ( -0.730 -3.933 -1.141) 4.160 8.901 ( 1.561 -0.904 -6.776) 7.012 9.098 ( 2.515 2.867 1.467) 4.087 9.173 ( -2.935 -2.554 3.256) 5.073 9.321 ( -3.156 1.547 6.473) 7.366 9.906 ( 0.521 4.151 -3.324) 5.344 10.210 ( 5.860 -0.089 -11.445) 12.858 10.861 ( -6.034 -1.814 12.731) 14.205 11.610 ( 0.181 -2.883 2.731) 3.976 11.960 ( 2.887 -1.709 -4.942) 5.973 12.303 ( 0.399 2.759 -4.524) 5.315 12.553 ( -1.676 -0.535 1.681) 2.433 13.238 ( 3.702 0.446 -8.230) 9.035 13.482 ( 0.775 -1.194 4.374) 4.599 13.714 ( -1.027 1.169 -0.455) 1.621 15.036 ( -0.683 -0.988 0.763) 1.423 15.102 ( 0.155 1.154 0.455) 1.250 16.322 ( 1.542 -2.403 1.920) 3.441 16.729 ( 0.601 -1.744 -2.391) 3.020 17.036 ( -1.246 -2.363 10.818) 11.143 17.480 ( -2.050 2.095 0.773) 3.031 17.547 ( -3.349 4.165 -0.321) 5.354 18.183 ( 1.047 -0.938 -4.162) 4.393 18.383 ( -2.024 2.344 0.392) 3.122 18.545 ( 2.646 1.771 -0.282) 3.197 22.123 ( 2.309 -2.064 1.595) 3.484 22.296 ( -3.164 0.445 -1.541) 3.547 26.526 ( 0.285 1.342 1.361) 1.933 26.808 ( 0.439 -0.960 -2.390) 2.613 28.109 ( 1.659 -0.818 -0.599) 1.944 28.244 ( -0.859 1.592 -2.292) 2.920 29.044 ( 1.058 -1.069 -0.560) 1.605 29.316 ( 4.773 0.433 -11.180) 12.164 29.816 ( -3.810 -1.391 8.631) 9.537 29.934 ( 1.009 -0.407 -2.018) 2.293 30.778 ( -6.260 -2.474 15.562) 16.955 32.152 ( -0.439 1.479 -0.644) 1.672 33.936 ( 3.091 0.659 1.932) 3.704 34.175 ( -5.989 0.143 -3.966) 7.185 34.681 ( 3.883 2.492 4.860) 6.701 35.417 ( 0.581 -1.676 -5.567) 5.843 ======================= Grid point 120 (55/160) ======================= q-point: (-0.11 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 0.816 -2.208 -0.730) 2.465 1.864 ( 5.065 11.506 6.069) 13.960 1.953 ( 2.754 -0.398 0.206) 2.790 2.119 ( 1.407 4.153 -10.651) 11.518 2.319 ( 4.763 1.576 -9.025) 10.326 3.052 ( -4.010 3.497 4.110) 6.723 3.081 ( -3.590 -6.629 13.031) 15.055 3.140 ( -4.400 -2.404 -3.364) 6.038 3.792 ( 6.147 -0.916 -1.525) 6.399 3.997 ( -0.580 -1.471 1.692) 2.316 4.134 ( 0.978 1.562 1.100) 2.147 4.216 ( -7.475 3.459 4.138) 9.218 4.283 ( -3.130 1.132 10.367) 10.888 4.690 ( -2.162 4.539 -3.933) 6.383 4.716 ( 8.446 1.170 1.663) 8.688 4.875 ( 4.624 -3.042 -6.281) 8.372 5.038 ( 0.379 7.129 -8.593) 11.172 5.355 ( 4.326 -4.292 6.295) 8.761 5.532 ( -4.601 4.255 -0.949) 6.338 5.748 ( 3.456 -2.659 0.826) 4.438 5.863 ( -1.497 -6.016 1.175) 6.310 5.875 ( -0.270 -4.455 -1.924) 4.860 6.156 ( 2.862 -0.014 -8.008) 8.504 6.456 ( -4.211 2.682 -3.968) 6.378 6.591 ( 0.603 -3.526 1.549) 3.898 6.736 ( 3.323 4.124 1.249) 5.442 7.027 ( -3.027 -1.226 -1.105) 3.448 7.302 ( -2.702 3.770 -5.597) 7.269 7.760 ( 1.368 0.577 4.180) 4.435 8.021 ( 3.952 1.481 -4.725) 6.336 8.407 ( -3.747 -3.956 7.212) 9.039 8.715 ( -2.601 -0.113 -3.185) 4.113 8.929 ( 3.192 -2.357 -4.499) 5.999 9.038 ( 2.631 3.793 0.764) 4.678 9.187 ( -2.517 0.835 3.026) 4.023 9.315 ( -3.086 -0.051 7.532) 8.140 9.898 ( 2.653 -3.817 -1.275) 4.820 10.204 ( 4.511 0.945 -12.052) 12.903 10.891 ( -5.625 -1.458 13.214) 14.435 11.645 ( -1.514 -0.042 2.200) 2.671 12.001 ( 1.726 -2.590 -6.581) 7.280 12.265 ( 2.319 0.819 -3.095) 3.953 12.552 ( -2.388 -0.645 1.085) 2.701 13.240 ( 4.085 -0.361 -8.467) 9.408 13.515 ( -0.419 -0.392 4.335) 4.373 13.683 ( 0.090 1.299 -0.419) 1.368 15.036 ( 0.150 1.039 1.677) 1.979 15.107 ( -0.431 -1.533 0.098) 1.596 16.360 ( -0.796 -0.677 1.252) 1.630 16.717 ( 3.090 3.850 -1.882) 5.283 17.070 ( -5.845 0.249 7.073) 9.179 17.423 ( 0.240 0.795 3.563) 3.659 17.541 ( -1.187 -3.715 1.449) 4.160 18.198 ( 1.855 -0.676 -3.575) 4.084 18.337 ( -1.516 1.453 1.231) 2.434 18.548 ( 2.332 -0.378 -0.938) 2.542 22.183 ( 2.399 -1.347 1.783) 3.279 22.244 ( -3.692 1.463 -1.782) 4.353 26.519 ( 0.694 0.246 1.632) 1.790 26.811 ( 0.164 0.087 -2.660) 2.667 28.139 ( 1.566 -1.117 -0.570) 2.007 28.207 ( -0.581 0.939 -1.401) 1.784 29.063 ( 0.177 -0.583 -0.680) 0.913 29.301 ( 5.507 1.011 -13.104) 14.250 29.815 ( -3.864 0.671 7.202) 8.200 29.982 ( 0.179 -4.103 -0.242) 4.114 30.792 ( -7.888 0.799 15.721) 17.607 32.166 ( 0.670 -2.841 0.928) 3.063 33.974 ( 4.546 -0.929 2.607) 5.322 34.120 ( -6.737 -0.681 -4.575) 8.172 34.680 ( 2.014 1.569 4.485) 5.161 35.413 ( 1.338 0.712 -6.676) 6.846 ======================= Grid point 125 (56/160) ======================= q-point: ( 0.44 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -3.562 -0.000 1.136) 3.739 1.728 ( 0.813 0.000 -6.239) 6.291 2.258 ( -3.322 -0.000 0.998) 3.468 2.320 ( 10.605 0.000 -5.398) 11.900 2.520 ( 6.862 0.000 -7.622) 10.256 2.701 ( -4.415 -0.000 -7.158) 8.410 2.875 ( -6.094 -0.000 12.419) 13.833 3.409 ( -6.272 -0.000 -4.134) 7.512 3.631 ( -5.037 -0.000 -4.688) 6.881 3.889 ( -8.449 -0.000 2.182) 8.726 4.183 ( -1.964 -0.000 -3.297) 3.838 4.252 ( -0.756 -0.000 3.245) 3.332 4.421 ( 8.330 0.000 -5.309) 9.878 4.463 ( 2.992 0.000 -0.441) 3.024 4.800 ( 2.083 0.000 3.169) 3.792 4.862 ( -2.539 -0.000 6.745) 7.207 4.985 ( 3.486 0.000 -4.002) 5.307 5.377 ( -6.175 -0.000 -0.931) 6.244 5.448 ( -0.560 -0.000 3.720) 3.762 5.705 ( 1.763 0.000 0.441) 1.818 5.929 ( -1.029 -0.000 -3.253) 3.412 6.127 ( 7.236 0.000 6.455) 9.697 6.271 ( 3.377 0.000 -11.265) 11.760 6.514 ( 7.058 0.000 4.739) 8.501 6.596 ( 5.879 0.000 -2.282) 6.306 6.906 ( 1.895 0.000 0.356) 1.928 6.986 ( 1.710 0.000 -0.609) 1.815 7.001 ( 0.794 0.000 10.980) 11.009 8.090 ( -3.357 -0.000 -0.990) 3.500 8.165 ( 6.359 0.000 4.012) 7.519 8.307 ( -7.506 -0.000 2.891) 8.043 8.846 ( 4.205 0.000 -3.338) 5.369 8.893 ( -0.548 -0.000 -0.854) 1.015 9.071 ( -2.934 -0.000 -3.685) 4.711 9.111 ( -10.317 -0.000 6.073) 11.972 9.539 ( -1.071 -0.000 1.537) 1.873 9.752 ( 0.581 0.000 -3.256) 3.308 10.133 ( 7.592 0.000 -10.741) 13.153 10.849 ( -9.151 -0.000 12.994) 15.893 11.707 ( 1.718 0.000 -3.601) 3.990 11.848 ( 0.383 0.000 -3.615) 3.635 12.403 ( -0.744 -0.000 -4.328) 4.392 12.619 ( 1.157 0.000 -1.357) 1.784 13.301 ( 1.556 0.000 -1.197) 1.964 13.356 ( 1.912 0.000 -1.535) 2.452 13.721 ( 0.726 0.000 -0.161) 0.743 14.989 ( -4.410 -0.000 4.396) 6.227 15.200 ( 0.024 0.000 0.239) 0.240 16.137 ( 0.067 0.000 -0.432) 0.437 16.368 ( -0.183 -0.000 -1.822) 1.831 17.181 ( 1.553 0.000 4.671) 4.922 17.607 ( -5.662 -0.000 -2.570) 6.218 17.663 ( 4.270 0.000 4.102) 5.921 18.203 ( 0.612 0.000 -3.153) 3.212 18.563 ( 1.427 0.000 -0.849) 1.661 18.640 ( -0.273 -0.000 -1.913) 1.932 22.115 ( 1.697 0.000 -3.441) 3.837 22.237 ( -0.479 -0.000 -0.501) 0.693 26.641 ( 0.712 0.000 -0.683) 0.986 26.781 ( 2.336 0.000 -1.753) 2.921 28.067 ( -0.395 -0.000 -0.563) 0.687 28.424 ( -2.752 -0.000 -5.418) 6.077 28.923 ( -0.172 -0.000 4.609) 4.612 29.355 ( 2.408 0.000 0.819) 2.544 29.647 ( -10.348 -0.000 18.392) 21.103 30.038 ( -1.325 -0.000 0.878) 1.589 30.441 ( -3.047 -0.000 8.199) 8.747 32.423 ( -3.584 -0.000 -3.224) 4.820 34.142 ( 2.415 0.000 2.011) 3.143 34.516 ( -0.095 -0.000 0.713) 0.719 34.586 ( 1.283 0.000 -2.591) 2.891 35.127 ( 4.063 0.000 -4.792) 6.283 ======================= Grid point 126 (57/160) ======================= q-point: (-0.44 -0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -4.355 -0.861 -2.223) 4.965 1.672 ( -6.744 -1.416 -10.184) 12.297 2.090 ( -3.085 11.724 -8.298) 14.692 2.341 ( 3.028 -0.938 2.385) 3.967 2.682 ( 8.325 -6.800 -5.143) 11.916 2.754 ( -3.306 -7.162 -7.706) 11.028 2.837 ( -2.560 2.131 14.758) 15.130 3.371 ( -7.074 -4.561 -9.615) 12.778 3.640 ( -2.734 -6.037 -6.396) 9.210 3.860 ( -6.984 -2.433 0.543) 7.415 4.099 ( -4.012 3.433 -3.231) 6.191 4.190 ( -0.131 3.938 4.929) 6.310 4.427 ( 2.072 1.039 -4.946) 5.462 4.574 ( 0.150 -2.409 -0.157) 2.419 4.761 ( 0.714 4.260 1.399) 4.541 4.894 ( 2.038 -1.980 7.769) 8.273 5.048 ( 2.758 -5.166 -4.511) 7.392 5.285 ( -6.064 2.869 0.575) 6.732 5.521 ( -1.400 -6.363 -1.304) 6.645 5.703 ( 4.399 2.385 1.986) 5.384 6.006 ( 0.941 -6.475 -0.699) 6.580 6.146 ( 8.648 8.092 7.743) 14.150 6.220 ( 0.987 4.085 -10.643) 11.442 6.487 ( 3.640 4.442 -0.723) 5.789 6.658 ( 11.248 1.656 11.126) 15.908 6.897 ( -0.076 2.764 -1.112) 2.980 6.963 ( -0.408 2.611 8.581) 8.978 7.087 ( 0.483 -3.654 3.437) 5.040 8.013 ( -4.370 3.646 -4.006) 6.959 8.226 ( 6.581 0.017 1.595) 6.772 8.284 ( -4.851 -1.098 4.189) 6.503 8.752 ( -1.680 5.835 -2.360) 6.514 8.889 ( 2.061 2.579 -0.520) 3.342 9.049 ( -1.105 -3.872 -0.947) 4.136 9.149 ( -7.012 -4.433 -0.271) 8.300 9.470 ( -1.392 4.372 1.678) 4.886 9.836 ( 1.248 -6.463 -3.018) 7.241 10.169 ( 7.535 -1.278 -10.902) 13.314 10.820 ( -8.751 0.155 12.619) 15.357 11.652 ( 0.548 4.690 -2.295) 5.251 11.857 ( 1.706 -1.360 -3.651) 4.253 12.392 ( -1.941 -1.439 -6.000) 6.469 12.604 ( 0.911 1.903 0.051) 2.111 13.302 ( 2.549 1.071 -2.463) 3.702 13.379 ( 1.404 -1.200 0.404) 1.890 13.730 ( 0.040 -0.471 -0.246) 0.533 14.975 ( -3.499 -0.479 3.353) 4.870 15.193 ( 0.210 0.900 0.254) 0.958 16.157 ( 2.289 -1.182 0.703) 2.670 16.403 ( -0.879 -4.790 -2.522) 5.484 17.144 ( 0.957 5.964 6.855) 9.137 17.587 ( -3.643 -1.748 -1.530) 4.321 17.709 ( 2.343 -0.286 2.503) 3.441 18.191 ( 0.694 0.624 -3.740) 3.855 18.564 ( -1.409 1.081 -1.509) 2.331 18.615 ( 1.973 1.170 -1.174) 2.577 22.092 ( 1.440 1.989 -1.940) 3.130 22.253 ( -1.317 -2.231 -1.724) 3.112 26.634 ( 1.135 1.446 -0.009) 1.839 26.783 ( 1.386 0.648 -1.831) 2.386 28.071 ( 0.582 -0.455 -0.247) 0.779 28.367 ( -2.022 1.594 -5.856) 6.397 28.947 ( -0.254 -1.310 2.990) 3.274 29.363 ( 1.621 1.055 0.502) 1.999 29.663 ( -6.586 -2.247 16.176) 17.609 30.024 ( -0.854 1.087 1.042) 1.731 30.484 ( -3.334 -4.048 10.320) 11.576 32.366 ( -2.323 2.222 -4.855) 5.823 34.106 ( 1.231 5.159 2.418) 5.829 34.445 ( -1.818 5.977 -0.829) 6.302 34.636 ( 2.816 -3.446 -0.632) 4.495 35.193 ( 2.621 -4.890 -4.216) 6.968 ======================= Grid point 127 (58/160) ======================= q-point: (-0.33 -0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -3.276 -0.956 -4.823) 5.908 1.674 ( -2.629 -6.319 -5.991) 9.096 1.878 ( -1.682 5.281 -5.362) 7.711 2.326 ( -5.918 1.916 -1.653) 6.436 2.749 ( -6.353 -1.385 17.777) 18.929 2.785 ( 6.367 0.900 -22.021) 22.941 2.941 ( 7.673 -3.139 7.654) 11.284 3.393 ( -7.318 -4.389 -6.549) 10.756 3.754 ( -1.113 -8.496 -8.308) 11.935 3.856 ( -5.939 -3.819 -1.053) 7.139 4.066 ( -1.316 -2.494 2.952) 4.082 4.136 ( -1.349 3.221 6.026) 6.964 4.407 ( -1.258 -1.026 -8.463) 8.617 4.485 ( -8.249 4.684 1.277) 9.572 4.722 ( 3.542 2.288 -0.113) 4.218 4.992 ( 2.512 -1.722 5.623) 6.395 5.147 ( -1.209 -5.151 -4.297) 6.817 5.251 ( 1.169 -2.253 3.364) 4.214 5.556 ( -4.914 -0.287 -10.558) 11.649 5.751 ( 7.619 -1.752 1.252) 7.917 6.008 ( -1.377 6.840 -4.482) 8.293 6.019 ( 7.573 13.752 5.714) 16.707 6.144 ( 0.430 -1.027 -0.663) 1.296 6.470 ( 4.861 0.943 -1.562) 5.192 6.765 ( -2.482 6.600 4.565) 8.400 6.817 ( 8.319 -3.528 13.240) 16.029 6.974 ( 2.201 0.728 8.793) 9.093 7.128 ( -2.538 -1.205 -1.369) 3.126 7.884 ( -5.415 3.747 -6.649) 9.358 8.261 ( 5.624 2.104 0.628) 6.038 8.287 ( -2.244 -1.120 1.206) 2.783 8.636 ( -3.201 2.739 -1.863) 4.607 8.891 ( 5.674 1.282 -0.157) 5.819 9.090 ( -2.006 -1.442 1.306) 2.794 9.160 ( -3.800 -1.624 -1.014) 4.255 9.403 ( -2.048 2.118 2.190) 3.671 9.937 ( 0.998 -3.834 -3.831) 5.511 10.210 ( 7.354 -0.695 -11.246) 13.455 10.802 ( -7.476 -0.742 12.347) 14.453 11.575 ( 0.091 2.519 1.190) 2.787 11.899 ( 3.611 -2.032 -3.662) 5.530 12.372 ( -2.488 -0.232 -6.889) 7.328 12.575 ( 0.611 1.896 2.023) 2.839 13.281 ( 2.912 1.758 -5.649) 6.594 13.424 ( 1.214 -1.811 3.220) 3.889 13.731 ( -1.067 -0.119 -0.579) 1.220 14.978 ( -2.369 -1.314 2.015) 3.376 15.172 ( 0.364 1.660 0.223) 1.714 16.220 ( 3.940 -2.396 1.999) 5.026 16.507 ( -1.187 -7.636 -2.901) 8.254 17.062 ( -0.502 4.906 9.305) 10.531 17.579 ( -1.343 0.828 0.426) 1.634 17.701 ( -0.807 2.477 -0.312) 2.624 18.169 ( 0.549 0.532 -4.635) 4.698 18.486 ( -4.236 2.999 -1.665) 5.450 18.624 ( 3.652 1.189 -0.339) 3.856 22.076 ( 1.597 0.223 0.195) 1.624 22.272 ( -2.064 -1.674 -2.285) 3.505 26.603 ( 0.521 2.562 0.551) 2.671 26.776 ( 0.585 -0.161 -2.089) 2.175 28.088 ( 1.396 -0.460 0.123) 1.475 28.306 ( -1.427 1.509 -5.324) 5.715 28.988 ( 1.559 -1.966 -0.328) 2.530 29.346 ( 1.328 1.470 -2.072) 2.867 29.722 ( -3.871 -2.749 13.120) 13.953 29.993 ( 0.103 2.082 0.249) 2.099 30.599 ( -3.740 -6.137 14.007) 15.743 32.278 ( -1.013 3.758 -5.074) 6.395 34.026 ( 1.424 4.446 2.392) 5.246 34.297 ( -3.911 6.164 -2.423) 7.691 34.714 ( 2.807 -1.657 2.034) 3.842 35.292 ( 2.139 -4.806 -4.333) 6.815 ======================= Grid point 128 (59/160) ======================= q-point: (-0.22 -0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -1.285 0.497 -3.716) 3.963 1.789 ( -1.784 -4.364 3.388) 5.805 1.877 ( 7.927 -6.721 -5.691) 11.849 2.205 ( -11.012 2.011 -4.244) 11.971 2.656 ( 4.201 8.814 -16.536) 19.203 2.830 ( -2.192 -3.413 17.227) 17.698 3.041 ( 3.607 -1.202 4.032) 5.542 3.318 ( -8.022 4.413 -2.452) 9.479 3.817 ( 5.338 -0.995 -3.587) 6.507 3.942 ( -6.384 -5.211 -4.128) 9.217 4.083 ( -4.450 -2.267 6.058) 7.851 4.164 ( 0.042 -3.605 1.595) 3.942 4.389 ( -6.062 -2.036 4.143) 7.620 4.414 ( -3.294 -3.466 -5.916) 7.606 4.729 ( 4.572 0.197 -1.154) 4.719 4.973 ( -0.548 4.433 0.827) 4.542 5.218 ( 0.296 -2.056 -4.031) 4.534 5.365 ( 1.750 -6.241 4.657) 7.981 5.431 ( -5.571 2.873 -11.882) 13.434 5.780 ( 1.313 5.214 -5.806) 7.913 5.838 ( 5.894 5.505 1.322) 8.172 5.940 ( 6.984 4.828 7.763) 11.504 6.142 ( 0.145 0.582 -4.234) 4.277 6.480 ( 0.019 -0.413 -7.310) 7.322 6.631 ( -0.965 5.727 8.416) 10.226 6.923 ( 2.078 3.533 7.799) 8.811 7.011 ( -1.239 0.312 1.393) 1.890 7.196 ( 4.219 -7.405 6.918) 10.977 7.770 ( -5.095 1.239 -5.549) 7.635 8.214 ( 3.505 5.752 -6.041) 9.048 8.303 ( -2.721 -1.496 5.655) 6.451 8.622 ( 0.233 -2.660 0.116) 2.673 8.890 ( 3.299 1.443 -5.381) 6.475 9.110 ( -3.670 -2.282 5.132) 6.709 9.149 ( 0.257 0.785 -0.447) 0.939 9.357 ( -2.783 2.170 3.631) 5.064 9.953 ( 0.231 1.283 -4.329) 4.521 10.229 ( 7.172 0.543 -11.463) 13.533 10.818 ( -6.164 -1.950 12.558) 14.125 11.579 ( 0.672 -1.455 3.226) 3.602 11.950 ( 4.654 -1.130 -4.343) 6.465 12.321 ( -1.769 1.258 -6.293) 6.657 12.558 ( -0.080 1.123 2.757) 2.978 13.253 ( 3.082 1.176 -7.596) 8.282 13.479 ( 1.138 -1.527 4.559) 4.941 13.714 ( -1.816 0.354 -1.147) 2.177 14.999 ( -1.487 -1.914 1.007) 2.624 15.140 ( 0.356 2.045 0.311) 2.099 16.306 ( 3.663 -2.250 2.834) 5.149 16.633 ( -0.490 -7.090 -2.551) 7.551 17.035 ( -1.522 0.512 10.112) 10.238 17.530 ( -2.482 3.190 0.842) 4.129 17.608 ( -1.814 5.189 -0.818) 5.557 18.159 ( 1.006 -0.708 -5.080) 5.227 18.403 ( -3.695 2.057 -0.220) 4.234 18.608 ( 2.296 2.587 -0.556) 3.503 22.112 ( 2.766 -1.753 1.999) 3.837 22.266 ( -2.904 -0.462 -2.396) 3.793 26.559 ( -0.519 2.011 0.718) 2.197 26.787 ( 0.958 -0.966 -2.003) 2.421 28.109 ( 1.792 -0.485 -0.041) 1.857 28.253 ( -1.499 1.282 -3.773) 4.258 29.034 ( 2.650 -1.351 -1.573) 3.366 29.322 ( 2.258 0.812 -6.741) 7.155 29.783 ( -2.855 -2.269 10.152) 10.787 29.956 ( 1.162 2.035 -1.212) 2.638 30.722 ( -4.756 -4.512 16.226) 17.500 32.189 ( -0.331 3.279 -3.428) 4.755 33.994 ( 3.654 1.874 2.737) 4.935 34.156 ( -5.434 3.758 -3.435) 7.447 34.742 ( 0.284 0.798 3.354) 3.459 35.369 ( 2.873 -2.916 -4.763) 6.281 ======================= Grid point 129 (60/160) ======================= q-point: (-0.11 -0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -0.777 0.778 -1.239) 1.657 1.852 ( -2.351 -2.476 1.381) 3.683 2.060 ( 4.732 -3.786 -10.876) 12.450 2.099 ( -0.573 -0.588 0.546) 0.986 2.458 ( 3.408 9.317 -8.704) 13.198 2.938 ( -3.456 -4.532 11.442) 12.783 3.085 ( -0.639 0.604 1.401) 1.654 3.149 ( -4.732 4.375 4.213) 7.700 3.876 ( 10.487 1.089 0.435) 10.552 3.933 ( -4.115 -2.801 -1.353) 5.159 4.122 ( -1.559 -1.332 -1.021) 2.291 4.199 ( -9.858 -1.600 9.278) 13.631 4.329 ( -3.359 2.818 3.461) 5.586 4.604 ( 0.371 -13.462 -2.708) 13.737 4.736 ( 2.284 1.009 -4.148) 4.842 4.908 ( 4.203 2.488 -3.607) 6.071 5.101 ( -4.618 6.619 -12.105) 14.548 5.380 ( 2.637 -0.100 -0.496) 2.686 5.500 ( -1.741 -3.261 5.796) 6.874 5.733 ( 4.670 -1.782 -0.126) 5.000 5.801 ( -0.780 2.062 1.242) 2.530 5.931 ( 5.944 4.301 5.917) 9.426 6.124 ( 0.849 -0.749 -9.571) 9.638 6.431 ( -4.229 -0.700 -11.091) 11.891 6.599 ( 3.058 3.243 10.187) 11.119 6.863 ( 0.724 3.930 2.582) 4.758 6.989 ( -1.029 0.628 0.904) 1.507 7.309 ( -2.098 0.370 -4.804) 5.255 7.762 ( 0.332 -2.690 3.900) 4.750 8.100 ( 2.638 5.239 -6.936) 9.084 8.340 ( -3.410 -2.551 8.744) 9.726 8.689 ( 1.819 -1.609 0.238) 2.440 8.883 ( 2.098 -1.875 -6.647) 7.217 9.100 ( -2.310 1.118 -3.280) 4.164 9.176 ( 0.044 -1.278 5.356) 5.507 9.319 ( -3.182 0.815 7.453) 8.145 9.892 ( 0.656 2.219 -3.577) 4.260 10.225 ( 5.864 1.210 -11.539) 13.000 10.856 ( -5.710 -2.122 12.902) 14.268 11.630 ( -0.040 -1.631 2.700) 3.155 11.976 ( 3.596 -0.104 -5.437) 6.520 12.276 ( 0.408 0.494 -4.852) 4.894 12.547 ( -0.767 0.734 2.699) 2.900 13.239 ( 3.506 0.157 -8.316) 9.026 13.519 ( -0.396 -0.480 4.426) 4.470 13.691 ( -0.933 0.212 -1.147) 1.494 15.030 ( -0.783 -1.819 0.593) 2.067 15.107 ( 0.107 1.567 0.492) 1.646 16.358 ( 0.907 -0.253 2.315) 2.499 16.733 ( 1.509 -3.500 -1.832) 4.229 17.054 ( -4.416 -0.194 6.830) 8.135 17.453 ( -2.065 1.618 2.832) 3.861 17.523 ( -0.243 2.535 1.421) 2.916 18.177 ( 2.013 -1.563 -4.599) 5.258 18.350 ( -2.507 1.266 0.738) 2.904 18.573 ( 1.094 1.792 -0.959) 2.308 22.180 ( 2.516 -1.681 2.227) 3.757 22.233 ( -2.554 0.522 -1.722) 3.124 26.532 ( -0.763 0.640 0.850) 1.309 26.804 ( 1.186 -0.453 -2.020) 2.386 28.132 ( 1.466 -0.630 -0.743) 1.760 28.213 ( -0.853 0.831 -2.023) 2.347 29.061 ( 1.447 -0.155 -0.477) 1.531 29.308 ( 4.195 0.213 -11.634) 12.369 29.821 ( -2.949 -0.433 8.407) 8.920 29.939 ( 1.187 -0.323 -1.920) 2.280 30.789 ( -6.183 -1.164 16.293) 17.466 32.144 ( 0.027 0.286 -0.868) 0.915 34.014 ( 3.401 1.208 2.336) 4.299 34.066 ( -3.164 0.144 -2.687) 4.154 34.718 ( -2.750 1.480 2.280) 3.867 35.412 ( 3.629 -0.711 -4.663) 5.951 ======================= Grid point 135 (61/160) ======================= q-point: (-0.44 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -8.727 -0.000 -4.647) 9.887 1.500 ( -18.272 -0.000 -12.909) 22.372 2.206 ( -9.164 -0.000 -14.749) 17.364 2.347 ( 9.072 0.000 1.692) 9.229 2.620 ( -13.274 -0.000 -0.652) 13.290 2.630 ( 11.915 0.000 -1.622) 12.025 2.866 ( -1.200 -0.000 8.626) 8.709 3.208 ( -10.572 -0.000 -15.382) 18.665 3.563 ( 2.704 0.000 -7.429) 7.905 3.785 ( -5.970 -0.000 0.595) 6.000 4.103 ( -2.188 -0.000 -4.172) 4.711 4.177 ( -9.687 -0.000 2.734) 10.066 4.522 ( 2.410 0.000 0.780) 2.533 4.560 ( 9.870 0.000 0.072) 9.870 4.836 ( -1.581 -0.000 3.844) 4.157 4.866 ( -1.762 -0.000 5.446) 5.724 4.974 ( -0.541 -0.000 -4.104) 4.140 5.301 ( 0.439 0.000 -5.406) 5.424 5.426 ( -5.053 -0.000 3.030) 5.892 5.805 ( 5.750 0.000 10.318) 11.812 5.958 ( 6.861 0.000 -1.432) 7.009 6.218 ( -0.815 -0.000 -11.166) 11.196 6.329 ( 10.640 0.000 7.948) 13.281 6.549 ( 2.065 0.000 -3.042) 3.677 6.829 ( 13.728 0.000 11.663) 18.014 6.904 ( 1.613 0.000 -4.585) 4.860 7.016 ( -1.885 -0.000 7.912) 8.133 7.090 ( 1.034 0.000 12.707) 12.749 7.990 ( -7.240 -0.000 -6.002) 9.404 8.223 ( -2.352 -0.000 -1.576) 2.831 8.303 ( 3.727 0.000 9.726) 10.416 8.835 ( -4.510 -0.000 -3.497) 5.707 8.867 ( 1.397 0.000 -5.400) 5.577 9.004 ( -7.162 -0.000 4.420) 8.416 9.037 ( 1.049 0.000 -2.764) 2.956 9.514 ( -2.870 -0.000 0.269) 2.883 9.769 ( 3.770 0.000 -2.056) 4.294 10.180 ( 7.909 0.000 -10.855) 13.430 10.798 ( -8.436 -0.000 12.738) 15.278 11.695 ( 0.244 0.000 -4.335) 4.341 11.846 ( 2.431 0.000 -3.788) 4.501 12.333 ( -2.765 -0.000 -7.371) 7.872 12.630 ( 0.845 0.000 -0.087) 0.850 13.327 ( 2.572 0.000 -1.665) 3.064 13.381 ( 1.507 0.000 0.910) 1.760 13.723 ( -0.150 -0.000 -0.736) 0.751 14.954 ( -3.537 -0.000 3.420) 4.920 15.204 ( 0.239 0.000 0.366) 0.437 16.175 ( 4.315 0.000 1.293) 4.504 16.339 ( -1.383 -0.000 -2.992) 3.297 17.254 ( 2.594 0.000 7.577) 8.009 17.512 ( -4.622 -0.000 -1.780) 4.953 17.742 ( 3.026 0.000 2.692) 4.050 18.192 ( 1.172 0.000 -4.318) 4.475 18.579 ( 1.033 0.000 -0.002) 1.033 18.611 ( -1.297 -0.000 -3.568) 3.797 22.126 ( 2.330 0.000 -2.643) 3.523 22.202 ( -2.708 -0.000 -2.146) 3.456 26.659 ( 1.743 0.000 0.137) 1.748 26.799 ( 1.596 0.000 -2.011) 2.567 28.071 ( 1.251 0.000 -0.286) 1.283 28.339 ( -2.854 -0.000 -7.117) 7.668 28.939 ( -2.066 -0.000 5.196) 5.591 29.385 ( -0.055 -0.000 1.862) 1.863 29.658 ( -3.555 -0.000 18.204) 18.548 30.040 ( 0.691 0.000 1.243) 1.422 30.451 ( -3.889 -0.000 11.221) 11.876 32.354 ( -0.908 -0.000 -6.916) 6.976 34.182 ( 0.261 0.000 3.738) 3.747 34.507 ( -1.715 -0.000 0.446) 1.772 34.593 ( 1.646 0.000 -2.231) 2.773 35.146 ( 2.642 0.000 -4.892) 5.560 ======================= Grid point 136 (62/160) ======================= q-point: (-0.33 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -11.479 -3.414 -9.630) 15.368 1.413 ( -15.863 -9.848 -8.925) 20.695 1.987 ( -2.818 8.038 -7.534) 11.371 2.315 ( -11.188 4.373 -6.682) 13.745 2.653 ( -5.883 -9.056 4.986) 11.895 2.759 ( 8.612 -2.631 -2.427) 9.326 2.929 ( 3.484 -4.046 3.075) 6.161 3.145 ( -10.236 -7.799 -14.572) 19.441 3.612 ( 4.826 -4.185 -5.603) 8.497 3.766 ( -5.433 -1.625 -0.139) 5.673 4.044 ( -3.258 1.241 2.132) 4.086 4.140 ( -5.578 -1.081 0.837) 5.743 4.489 ( 6.706 5.778 -2.216) 9.126 4.533 ( -4.809 6.165 1.365) 7.937 4.791 ( 1.301 2.191 2.668) 3.689 4.951 ( -0.738 -4.533 7.728) 8.990 5.013 ( -1.453 -4.496 -6.890) 8.354 5.264 ( 2.585 0.912 -0.305) 2.758 5.450 ( -5.354 -3.799 -2.836) 7.151 5.856 ( 9.535 2.324 6.820) 11.952 6.050 ( 4.277 -0.119 -2.681) 5.049 6.131 ( -1.683 2.183 -6.042) 6.641 6.355 ( 8.708 8.350 7.499) 14.205 6.528 ( 3.685 2.618 -3.488) 5.710 6.871 ( 4.061 1.226 3.893) 5.758 6.914 ( 3.854 5.786 7.262) 10.053 7.024 ( 0.464 -0.171 9.435) 9.448 7.118 ( -0.395 1.665 9.465) 9.618 7.870 ( -8.737 2.996 -9.406) 13.183 8.237 ( -0.396 -2.396 -2.837) 3.734 8.352 ( 3.904 1.485 6.659) 7.860 8.681 ( -4.068 5.751 -2.727) 7.554 8.948 ( 5.120 -3.027 -5.328) 7.985 8.977 ( -7.384 -3.155 5.722) 9.860 9.099 ( 1.071 -3.899 -2.185) 4.596 9.446 ( -2.879 3.569 1.252) 4.754 9.853 ( 3.436 -4.755 -2.681) 6.450 10.213 ( 7.585 -0.871 -10.867) 13.281 10.779 ( -7.415 -0.161 12.695) 14.702 11.638 ( -0.340 3.633 -2.204) 4.263 11.877 ( 4.145 -2.068 -3.809) 5.997 12.305 ( -2.851 -1.575 -7.689) 8.350 12.621 ( 0.746 1.475 1.257) 2.077 13.319 ( 2.217 1.710 -4.569) 5.359 13.412 ( 1.398 -1.482 3.391) 3.956 13.718 ( -1.019 -0.039 -1.262) 1.622 14.946 ( -2.872 -0.735 2.780) 4.064 15.199 ( 0.228 0.874 0.336) 0.963 16.230 ( 5.724 -1.204 2.081) 6.208 16.364 ( -1.471 -4.892 -3.140) 5.996 17.209 ( 0.618 7.143 8.595) 11.193 17.533 ( -2.219 -3.512 -0.405) 4.174 17.753 ( 1.640 1.846 1.372) 2.825 18.175 ( 1.046 1.075 -5.413) 5.617 18.508 ( -4.023 3.873 -2.283) 6.033 18.642 ( 2.230 -1.705 -1.562) 3.213 22.104 ( 1.217 1.646 -0.775) 2.189 22.210 ( -1.840 -2.415 -3.015) 4.279 26.657 ( 1.465 1.975 0.350) 2.484 26.782 ( 0.397 1.287 -2.559) 2.892 28.091 ( 1.974 -0.660 0.188) 2.090 28.289 ( -2.439 0.494 -7.097) 7.521 28.957 ( -0.899 -1.961 2.623) 3.396 29.374 ( -0.914 1.150 0.912) 1.729 29.714 ( -1.196 -0.875 18.231) 18.291 30.037 ( 1.491 1.613 1.037) 2.429 30.512 ( -3.677 -4.914 15.182) 16.376 32.309 ( 0.552 1.963 -7.815) 8.076 34.136 ( 0.116 5.055 3.623) 6.220 34.389 ( -4.086 7.352 -2.055) 8.659 34.675 ( 1.926 -4.598 0.707) 5.035 35.203 ( 2.860 -4.991 -5.190) 7.747 ======================= Grid point 137 (63/160) ======================= q-point: (-0.22 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -6.087 -6.761 -10.202) 13.669 1.563 ( -8.961 -15.989 0.268) 18.331 1.870 ( 2.849 2.758 -0.972) 4.082 2.114 ( -16.505 1.185 -9.301) 18.982 2.730 ( 1.443 0.087 -6.499) 6.658 2.834 ( 2.221 -1.749 5.912) 6.553 3.024 ( -0.037 -3.364 -2.783) 4.366 3.220 ( -7.123 -7.237 -3.923) 10.886 3.745 ( -2.752 -6.949 0.749) 7.511 3.765 ( 2.704 -4.375 -5.866) 7.801 4.041 ( -5.846 -0.854 5.676) 8.193 4.153 ( 3.005 -2.854 -0.176) 4.148 4.337 ( -3.174 7.321 2.329) 8.312 4.436 ( -1.424 3.545 -1.043) 3.960 4.765 ( 0.786 1.932 0.134) 2.090 5.008 ( -1.747 -0.112 -1.183) 2.113 5.093 ( -1.225 -7.347 4.315) 8.608 5.329 ( 5.045 -3.084 -0.463) 5.931 5.396 ( -7.304 2.151 -9.468) 12.150 5.881 ( 7.563 6.237 -5.390) 11.188 5.945 ( -0.305 2.780 -0.481) 2.838 6.133 ( 3.077 2.958 1.854) 4.653 6.254 ( 7.570 9.396 8.760) 14.911 6.471 ( -0.671 3.488 -8.741) 9.435 6.778 ( 1.002 6.428 8.495) 10.700 6.978 ( -0.532 0.825 3.397) 3.536 7.055 ( 2.102 0.527 10.064) 10.295 7.132 ( 2.318 -3.179 8.712) 9.559 7.719 ( -8.467 1.492 -9.889) 13.104 8.247 ( -0.081 0.115 -7.083) 7.084 8.343 ( 1.743 3.083 4.205) 5.497 8.594 ( -0.760 0.201 0.499) 0.931 8.969 ( 5.529 3.523 -6.960) 9.561 9.012 ( -7.669 -4.302 3.658) 9.524 9.169 ( 2.763 -1.113 1.848) 3.506 9.378 ( -3.240 1.771 3.444) 5.049 9.934 ( 2.118 -2.244 -4.079) 5.115 10.249 ( 7.346 -0.470 -11.443) 13.607 10.784 ( -5.897 -1.282 13.018) 14.348 11.588 ( 0.309 0.978 2.073) 2.313 11.949 ( 6.493 -2.175 -4.402) 8.140 12.284 ( -2.528 -0.799 -6.887) 7.380 12.601 ( 0.744 1.844 2.704) 3.357 13.279 ( 2.138 1.944 -6.832) 7.418 13.470 ( 1.206 -1.929 4.384) 4.939 13.697 ( -2.301 0.232 -1.899) 2.992 14.957 ( -2.027 -1.565 1.843) 3.155 15.178 ( 0.172 1.605 0.273) 1.637 16.313 ( 5.461 -1.772 3.097) 6.523 16.469 ( -0.986 -7.995 -2.942) 8.577 17.113 ( -1.139 5.293 9.935) 11.314 17.539 ( -4.128 0.967 -1.155) 4.394 17.705 ( 1.088 4.441 1.202) 4.727 18.143 ( 0.796 0.375 -6.383) 6.443 18.406 ( -5.022 2.148 -0.776) 5.517 18.659 ( 1.560 1.239 -1.402) 2.436 22.113 ( 2.403 -1.056 1.657) 3.104 22.222 ( -1.809 -1.283 -2.961) 3.699 26.603 ( -1.177 3.357 -0.176) 3.562 26.773 ( 0.967 -0.701 -1.807) 2.166 28.118 ( 2.010 -0.271 0.490) 2.087 28.242 ( -1.956 0.471 -5.345) 5.711 29.012 ( 2.689 -2.729 -2.159) 4.398 29.339 ( -0.550 1.623 -1.900) 2.558 29.774 ( -1.297 -0.630 14.404) 14.476 30.012 ( 2.414 2.666 -0.271) 3.606 30.651 ( -3.506 -5.680 18.928) 20.070 32.239 ( 1.057 3.382 -6.717) 7.595 34.069 ( 1.615 2.971 2.827) 4.408 34.209 ( -4.778 6.708 -2.501) 8.607 34.739 ( -1.598 -1.202 1.464) 2.478 35.315 ( 4.897 -4.797 -4.533) 8.218 ======================= Grid point 138 (64/160) ======================= q-point: (-0.11 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -0.339 -2.633 -7.521) 7.976 1.737 ( -12.097 -8.632 2.302) 15.039 1.944 ( -2.995 -6.525 -2.104) 7.482 2.015 ( 2.960 -3.183 -6.260) 7.621 2.627 ( 3.521 8.523 -10.912) 14.287 2.927 ( 0.146 -3.083 14.830) 15.148 3.048 ( -4.608 -2.952 -4.644) 7.177 3.207 ( -3.964 2.971 2.402) 5.505 3.822 ( -2.865 -5.724 -2.489) 6.868 3.901 ( 4.298 -4.547 -2.875) 6.886 4.064 ( -1.469 -4.754 5.923) 7.736 4.174 ( -1.020 4.088 5.448) 6.887 4.341 ( -6.014 2.641 0.174) 6.571 4.359 ( 1.178 -9.705 2.148) 10.010 4.734 ( -3.309 0.428 -3.974) 5.189 4.966 ( 0.437 2.427 -0.952) 2.643 5.159 ( -0.964 3.861 -10.118) 10.872 5.308 ( -4.003 -3.642 -1.011) 5.506 5.443 ( 4.584 -5.593 1.584) 7.403 5.772 ( 1.558 3.433 -3.431) 5.097 5.900 ( 2.652 6.057 0.725) 6.651 6.097 ( 4.885 3.705 -0.245) 6.137 6.181 ( 5.801 7.363 7.223) 11.834 6.351 ( -4.908 1.585 -12.729) 13.734 6.749 ( 4.747 4.100 12.557) 14.037 6.880 ( -4.990 3.046 -5.649) 8.130 7.068 ( 1.711 3.085 10.715) 11.281 7.258 ( -1.551 -2.590 -2.297) 3.793 7.688 ( -1.542 -5.316 0.448) 5.554 8.169 ( -0.678 3.936 -10.821) 11.535 8.334 ( -0.478 0.332 8.795) 8.814 8.658 ( 3.636 -4.303 1.201) 5.760 8.894 ( 2.582 3.929 -6.384) 7.929 9.036 ( -5.919 -2.867 -0.051) 6.577 9.188 ( 0.950 0.324 2.718) 2.897 9.342 ( -2.908 1.462 5.922) 6.758 9.932 ( 0.823 2.097 -4.509) 5.040 10.256 ( 6.293 1.074 -11.873) 13.480 10.818 ( -5.032 -1.957 13.272) 14.328 11.612 ( 0.611 -1.403 3.530) 3.847 12.002 ( 6.395 0.398 -5.672) 8.557 12.257 ( -1.037 -0.335 -5.485) 5.592 12.582 ( 0.619 1.807 3.251) 3.771 13.245 ( 2.779 0.882 -8.087) 8.597 13.518 ( -0.277 -0.866 4.376) 4.470 13.672 ( -2.045 -0.406 -1.960) 2.861 14.984 ( -1.314 -2.151 1.077) 2.741 15.145 ( 0.101 1.985 0.303) 2.010 16.377 ( 2.507 -0.165 3.315) 4.160 16.612 ( -0.063 -8.253 -2.937) 8.760 17.067 ( -2.475 2.134 8.922) 9.502 17.452 ( -5.925 1.608 -0.346) 6.149 17.627 ( 1.783 5.632 2.614) 6.459 18.146 ( 2.086 -1.552 -5.582) 6.158 18.349 ( -3.430 0.731 0.491) 3.541 18.617 ( -0.215 2.742 -1.454) 3.111 22.173 ( 2.013 -1.641 1.463) 2.980 22.215 ( -0.487 -0.541 -1.002) 1.239 26.540 ( -2.157 1.527 -0.154) 2.647 26.798 ( 1.841 -0.960 -1.387) 2.497 28.134 ( 1.274 -0.067 -0.654) 1.434 28.209 ( -0.938 0.276 -2.587) 2.766 29.066 ( 3.160 -1.020 -2.515) 4.165 29.304 ( 1.577 0.599 -7.329) 7.520 29.814 ( -2.179 -0.766 10.382) 10.636 29.975 ( 2.543 2.857 -1.568) 4.134 30.764 ( -4.966 -2.857 18.629) 19.490 32.169 ( 0.733 2.643 -3.657) 4.571 34.044 ( -4.993 2.257 -2.926) 6.212 34.098 ( 5.967 2.065 3.836) 7.388 34.710 ( -5.779 1.028 -0.168) 5.872 35.408 ( 5.361 -2.205 -3.426) 6.734 ======================= Grid point 145 (65/160) ======================= q-point: (-0.33 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -18.594 -0.000 -13.958) 23.250 1.091 ( -24.154 -0.000 -10.356) 26.280 1.944 ( -16.858 -0.000 -14.738) 22.392 2.315 ( -20.332 -0.000 4.979) 20.933 2.465 ( 8.703 0.000 -7.631) 11.575 2.840 ( 7.527 0.000 7.003) 10.281 2.886 ( -2.953 -0.000 3.702) 4.735 2.936 ( -3.982 -0.000 -20.498) 20.881 3.620 ( 9.671 0.000 -5.555) 11.153 3.717 ( -4.543 -0.000 1.852) 4.906 4.020 ( -12.838 -0.000 4.056) 13.463 4.100 ( 3.433 0.000 -0.754) 3.515 4.519 ( -4.145 -0.000 2.152) 4.670 4.669 ( 2.969 0.000 1.146) 3.183 4.817 ( -1.225 -0.000 0.227) 1.246 4.920 ( 5.845 0.000 4.104) 7.142 4.963 ( 2.851 0.000 -2.338) 3.687 5.306 ( 3.108 0.000 -4.746) 5.673 5.340 ( -8.669 -0.000 2.954) 9.158 5.957 ( 3.849 0.000 9.570) 10.315 6.102 ( 3.088 0.000 -0.995) 3.244 6.115 ( 5.842 0.000 -8.662) 10.448 6.501 ( 5.895 0.000 3.152) 6.685 6.580 ( 4.961 0.000 -3.757) 6.223 6.928 ( 4.401 0.000 -1.022) 4.518 7.012 ( 0.416 0.000 7.192) 7.204 7.044 ( -2.328 -0.000 12.288) 12.506 7.249 ( 8.960 0.000 10.589) 13.871 7.790 ( -11.170 -0.000 -11.162) 15.791 8.187 ( -1.295 -0.000 -0.971) 1.619 8.411 ( 2.359 0.000 6.298) 6.725 8.740 ( -4.286 -0.000 -3.655) 5.633 8.806 ( -4.371 -0.000 -0.963) 4.476 8.974 ( -0.292 -0.000 -0.023) 0.293 9.054 ( 1.724 0.000 1.369) 2.201 9.467 ( -2.813 -0.000 -0.219) 2.821 9.836 ( 6.111 0.000 -0.339) 6.121 10.227 ( 7.378 0.000 -10.557) 12.880 10.766 ( -6.832 -0.000 13.041) 14.722 11.661 ( -0.859 -0.000 -3.852) 3.947 11.869 ( 3.953 0.000 -4.012) 5.632 12.242 ( -2.081 -0.000 -7.910) 8.179 12.644 ( 0.526 0.000 1.230) 1.338 13.336 ( 1.289 0.000 -4.812) 4.982 13.420 ( 1.307 0.000 3.987) 4.196 13.706 ( -0.960 -0.000 -2.212) 2.411 14.927 ( -2.831 -0.000 3.404) 4.427 15.209 ( 0.024 0.000 0.405) 0.406 16.274 ( 6.811 0.000 1.848) 7.058 16.294 ( -1.486 -0.000 -3.267) 3.589 17.356 ( 3.231 0.000 10.049) 10.556 17.450 ( -2.494 -0.000 -0.242) 2.506 17.788 ( 1.428 0.000 1.094) 1.799 18.179 ( 1.683 0.000 -6.551) 6.764 18.546 ( -2.978 -0.000 -7.171) 7.765 18.592 ( 0.293 0.000 0.515) 0.592 22.136 ( -3.514 -0.000 -2.900) 4.556 22.149 ( 2.560 0.000 -1.574) 3.005 26.691 ( 2.037 0.000 0.343) 2.066 26.797 ( 0.642 0.000 -4.461) 4.507 28.099 ( 2.429 0.000 -0.079) 2.431 28.247 ( -2.735 -0.000 -7.392) 7.882 28.928 ( -3.838 -0.000 5.261) 6.513 29.375 ( -2.269 -0.000 1.190) 2.562 29.793 ( 3.665 0.000 23.571) 23.854 30.073 ( 1.974 0.000 2.188) 2.947 30.484 ( -4.338 -0.000 19.780) 20.250 32.310 ( 2.310 0.000 -9.324) 9.606 34.204 ( -0.772 -0.000 4.636) 4.700 34.469 ( -3.641 -0.000 0.252) 3.649 34.605 ( 1.783 0.000 -2.125) 2.774 35.138 ( 1.371 0.000 -7.850) 7.969 ======================= Grid point 146 (66/160) ======================= q-point: (-0.22 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -17.013 -11.580 -17.436) 26.973 1.130 ( -16.241 -18.948 -1.008) 24.977 1.774 ( -25.450 -5.592 -10.628) 28.141 2.084 ( -4.301 9.451 1.021) 10.434 2.641 ( 3.556 -8.990 -8.693) 13.001 2.771 ( -8.484 -1.588 -5.106) 10.028 2.928 ( -1.871 -4.179 -6.055) 7.591 3.057 ( 5.550 -6.537 7.300) 11.262 3.679 ( -2.146 -0.141 2.476) 3.279 3.709 ( 7.606 -2.741 -6.356) 10.284 3.975 ( -7.406 -2.758 6.392) 10.164 4.141 ( 3.740 -1.199 -0.117) 3.930 4.440 ( -7.825 4.851 2.734) 9.604 4.567 ( 3.195 8.794 -0.372) 9.364 4.834 ( 2.035 3.063 2.635) 4.524 4.953 ( -0.258 -1.108 -6.975) 7.067 5.029 ( 5.202 -3.260 8.017) 10.097 5.293 ( -2.588 -2.757 2.663) 4.625 5.338 ( -3.005 -0.482 -6.640) 7.304 5.970 ( -2.803 2.684 -2.586) 4.663 6.041 ( 4.858 3.117 -3.083) 6.543 6.186 ( 8.422 1.010 -0.179) 8.484 6.476 ( 1.395 7.123 2.892) 7.813 6.552 ( 4.041 4.969 -5.515) 8.452 6.931 ( 3.032 5.272 4.519) 7.576 6.997 ( -1.419 0.777 4.709) 4.979 7.080 ( 0.482 -1.504 11.054) 11.166 7.224 ( 2.242 6.616 10.455) 12.574 7.636 ( -11.439 1.955 -12.544) 17.089 8.216 ( 1.331 -1.963 -6.825) 7.225 8.413 ( -0.484 2.343 2.135) 3.206 8.629 ( -1.309 3.850 0.754) 4.136 8.863 ( -5.356 -5.314 1.426) 7.678 9.010 ( 2.385 -1.828 -6.372) 7.045 9.142 ( 3.072 -5.149 6.466) 8.818 9.415 ( -1.900 2.951 2.087) 4.083 9.905 ( 5.034 -1.682 -0.611) 5.343 10.252 ( 6.885 -0.696 -11.202) 13.167 10.767 ( -5.583 -0.618 13.819) 14.918 11.620 ( -0.537 1.751 -0.164) 1.839 11.931 ( 6.685 -3.607 -4.620) 8.891 12.221 ( -1.490 -1.463 -6.968) 7.274 12.643 ( 0.540 0.993 2.295) 2.558 13.307 ( 0.984 1.784 -6.186) 6.513 13.458 ( 1.056 -1.557 4.206) 4.607 13.680 ( -2.151 0.627 -3.155) 3.870 14.926 ( -2.246 -0.758 3.402) 4.147 15.202 ( -0.136 0.835 0.388) 0.931 16.318 ( -0.239 -4.110 -2.069) 4.608 16.348 ( 5.799 -2.044 1.249) 6.274 17.274 ( 0.127 8.474 9.540) 12.761 17.508 ( -1.903 -1.495 0.478) 2.466 17.779 ( 1.034 2.082 1.177) 2.606 18.144 ( 0.565 1.773 -8.859) 9.053 18.412 ( -6.207 3.995 -2.879) 7.923 18.655 ( 1.082 -2.452 -2.428) 3.616 22.109 ( -0.263 -1.013 -0.543) 1.179 22.180 ( 0.869 -1.324 -1.952) 2.514 26.668 ( -0.464 4.308 -1.325) 4.531 26.763 ( -0.081 0.145 -3.136) 3.140 28.129 ( 2.520 -0.619 0.585) 2.660 28.208 ( -2.099 -0.291 -6.027) 6.389 28.955 ( -0.707 -3.745 0.780) 3.890 29.351 ( -2.249 0.936 0.057) 2.436 29.865 ( 3.198 3.955 21.495) 22.089 30.081 ( 3.481 1.790 1.237) 4.105 30.596 ( -2.525 -5.209 27.705) 28.303 32.282 ( 3.225 2.080 -9.098) 9.874 34.159 ( -0.667 5.042 3.696) 6.287 34.298 ( -5.425 7.826 -2.495) 9.844 34.693 ( -0.368 -3.299 0.318) 3.335 35.212 ( 4.160 -8.084 -8.417) 12.390 ======================= Grid point 147 (67/160) ======================= q-point: (-0.11 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -3.397 -15.688 -14.110) 21.371 1.364 ( -20.709 -15.239 1.849) 25.778 1.775 ( -11.340 -13.722 -4.892) 18.461 1.969 ( 4.169 2.148 1.019) 4.800 2.709 ( 0.486 0.161 -12.461) 12.472 2.788 ( -7.686 -8.126 -3.266) 11.653 2.968 ( -1.565 -1.860 2.796) 3.705 3.198 ( -0.050 -3.238 6.016) 6.833 3.691 ( -1.653 -4.136 1.785) 4.799 3.851 ( 8.686 -4.742 -2.920) 10.318 4.018 ( -2.008 -2.177 7.486) 8.050 4.215 ( 3.872 -3.820 -0.122) 5.440 4.299 ( -6.829 3.445 5.531) 9.439 4.420 ( 1.031 8.392 0.105) 8.456 4.720 ( -4.217 4.777 -3.257) 7.157 4.976 ( -2.342 -1.098 -0.030) 2.587 5.165 ( 5.112 -0.948 -0.162) 5.201 5.229 ( -5.064 -0.307 -4.381) 6.703 5.389 ( 2.862 -4.362 0.595) 5.251 5.846 ( -1.484 4.699 -6.714) 8.328 6.027 ( 5.863 3.927 -0.800) 7.102 6.189 ( 1.821 1.603 -1.137) 2.679 6.288 ( -4.681 9.120 -4.541) 11.212 6.467 ( 5.641 6.933 1.036) 8.998 6.861 ( 0.624 4.080 1.155) 4.286 6.941 ( -2.046 4.941 7.793) 9.451 7.159 ( 0.099 1.578 7.813) 7.971 7.202 ( -0.817 -0.662 3.277) 3.441 7.555 ( -3.878 -5.590 -3.558) 7.678 8.187 ( 0.186 2.382 -10.728) 10.991 8.369 ( -1.100 1.263 3.393) 3.784 8.624 ( 2.635 -2.001 2.302) 4.031 8.920 ( -4.164 -3.877 1.941) 6.012 8.981 ( 1.287 3.195 -7.623) 8.365 9.216 ( 0.409 0.932 2.280) 2.497 9.371 ( -2.105 1.875 6.723) 7.290 9.949 ( 2.954 -0.055 -2.917) 4.152 10.273 ( 5.797 -0.068 -12.472) 13.754 10.796 ( -4.367 -1.415 14.398) 15.113 11.613 ( 0.373 -0.217 3.514) 3.540 12.035 ( 9.198 -1.570 -6.484) 11.363 12.217 ( -0.762 -1.154 -5.331) 5.508 12.633 ( 0.782 1.585 3.150) 3.612 13.261 ( 2.038 1.535 -7.753) 8.162 13.509 ( 0.022 -1.481 4.172) 4.427 13.639 ( -2.983 -0.029 -3.035) 4.255 14.944 ( -1.504 -1.517 2.665) 3.415 15.180 ( -0.170 1.519 0.319) 1.561 16.400 ( 2.396 -2.154 1.753) 3.668 16.447 ( 1.039 -6.394 -1.713) 6.701 17.161 ( -1.324 6.065 10.577) 12.264 17.435 ( -7.834 2.751 -2.022) 8.546 17.742 ( 1.560 3.953 2.428) 4.894 18.113 ( 1.483 -1.353 -7.107) 7.385 18.330 ( -4.501 0.494 0.407) 4.546 18.653 ( -0.582 1.724 -2.269) 2.908 22.153 ( 1.087 -1.999 -0.980) 2.478 22.204 ( 1.851 -1.105 0.747) 2.282 26.561 ( -3.285 3.291 -1.254) 4.816 26.783 ( 1.467 -1.573 -1.278) 2.501 28.144 ( 0.845 0.493 -0.484) 1.092 28.192 ( -0.297 -0.586 -2.633) 2.713 29.039 ( 3.776 -3.727 -5.005) 7.294 29.310 ( -1.146 1.433 -2.569) 3.157 29.856 ( -1.397 3.135 14.858) 15.249 30.062 ( 4.382 3.739 -0.324) 5.769 30.745 ( -3.642 -2.661 25.624) 26.018 32.224 ( 2.742 3.463 -6.427) 7.799 34.048 ( -5.380 3.515 -2.106) 6.763 34.197 ( 4.110 2.545 3.302) 5.854 34.680 ( -5.829 1.148 -1.606) 6.154 35.372 ( 6.190 -5.505 -5.369) 9.872 ======================= Grid point 155 (68/160) ======================= q-point: (-0.22 -0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -24.420 -0.000 -14.841) 28.576 0.670 ( -24.384 -0.000 -1.272) 24.417 1.417 ( -39.645 -0.000 -5.415) 40.013 2.201 ( -1.635 -0.000 2.262) 2.790 2.512 ( 5.182 0.000 -13.182) 14.164 2.674 ( -2.792 -0.000 -16.743) 16.975 2.836 ( -6.110 -0.000 4.232) 7.433 3.080 ( 5.200 0.000 11.020) 12.185 3.653 ( -3.240 -0.000 -1.621) 3.622 3.766 ( 13.315 0.000 -3.920) 13.880 3.900 ( -7.360 -0.000 9.345) 11.895 4.155 ( 2.583 0.000 0.807) 2.706 4.439 ( -7.521 -0.000 1.934) 7.765 4.692 ( -0.519 -0.000 2.743) 2.792 4.817 ( 2.032 0.000 -3.212) 3.801 5.039 ( 6.237 0.000 4.213) 7.526 5.062 ( 8.868 0.000 -0.936) 8.917 5.219 ( -9.129 -0.000 3.977) 9.957 5.301 ( 0.427 0.000 -5.936) 5.952 5.999 ( -2.789 -0.000 -6.830) 7.377 6.020 ( -0.680 -0.000 2.320) 2.417 6.307 ( 13.055 0.000 -2.889) 13.371 6.542 ( -0.632 -0.000 -0.314) 0.706 6.638 ( 7.016 0.000 -9.162) 11.540 7.000 ( -5.996 -0.000 5.505) 8.140 7.015 ( 4.585 0.000 3.820) 5.968 7.111 ( 0.097 0.000 11.211) 11.211 7.326 ( -2.764 -0.000 -16.506) 16.736 7.561 ( -8.915 -0.000 -2.976) 9.399 8.161 ( 0.375 0.000 -6.199) 6.210 8.428 ( -3.390 -0.000 2.807) 4.401 8.669 ( -2.569 -0.000 -1.541) 2.995 8.797 ( 0.648 0.000 8.470) 8.495 8.949 ( -2.310 -0.000 -2.742) 3.585 9.122 ( 3.834 0.000 8.585) 9.403 9.442 ( -0.411 -0.000 0.651) 0.770 9.965 ( 9.689 0.000 5.716) 11.249 10.258 ( 5.926 0.000 -11.246) 12.712 10.768 ( -4.824 -0.000 15.015) 15.771 11.631 ( -0.775 -0.000 -0.262) 0.818 11.907 ( 4.395 0.000 -4.212) 6.088 12.176 ( -0.074 -0.000 -6.477) 6.478 12.662 ( 0.276 0.000 2.577) 2.592 13.309 ( 0.245 0.000 -6.242) 6.246 13.463 ( 0.664 0.000 4.171) 4.223 13.660 ( -2.144 -0.000 -5.315) 5.731 14.921 ( -1.431 -0.000 5.909) 6.080 15.209 ( -0.395 -0.000 0.516) 0.649 16.257 ( -0.685 -0.000 -2.752) 2.836 16.386 ( 6.212 0.000 0.946) 6.284 17.432 ( -0.382 -0.000 0.738) 0.830 17.482 ( 3.927 0.000 11.240) 11.907 17.805 ( 0.383 0.000 0.611) 0.721 18.140 ( 0.482 0.000 -13.961) 13.969 18.414 ( -6.959 -0.000 -9.773) 11.997 18.592 ( -0.621 -0.000 0.317) 0.697 22.069 ( -2.605 -0.000 -2.453) 3.578 22.181 ( 2.277 0.000 -0.014) 2.277 26.720 ( 1.546 0.000 -0.139) 1.553 26.743 ( -2.280 -0.000 -9.787) 10.049 28.139 ( 2.719 0.000 -0.038) 2.720 28.174 ( -1.605 -0.000 -2.906) 3.320 28.895 ( -4.699 -0.000 4.862) 6.762 29.341 ( -2.466 -0.000 -0.181) 2.473 30.075 ( 12.546 0.000 18.384) 22.257 30.121 ( 1.817 0.000 3.195) 3.675 30.669 ( 4.180 0.000 55.355) 55.513 32.303 ( 4.995 0.000 -9.534) 10.763 34.227 ( -0.055 -0.000 4.821) 4.822 34.399 ( -5.545 -0.000 -0.122) 5.546 34.616 ( 1.570 0.000 -2.633) 3.065 35.051 ( -3.622 -0.000 -19.141) 19.480 ======================= Grid point 156 (69/160) ======================= q-point: (-0.11 -0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( -12.616 -25.528 -20.461) 35.065 0.912 ( -17.911 -19.285 9.218) 27.887 1.277 ( -27.614 -20.103 2.773) 34.269 2.102 ( 2.153 7.312 -0.198) 7.625 2.520 ( -5.748 -3.936 -15.091) 16.621 2.695 ( 6.029 -4.762 -11.353) 13.708 2.883 ( -4.483 -6.027 6.754) 10.101 3.157 ( -3.170 -2.724 11.055) 11.819 3.660 ( 2.931 -1.201 0.112) 3.169 3.848 ( 9.184 -1.754 0.603) 9.370 3.966 ( 1.103 -4.800 6.705) 8.319 4.186 ( 1.050 -1.555 0.861) 2.065 4.335 ( -7.539 4.562 1.682) 8.971 4.601 ( 0.705 8.081 2.833) 8.592 4.869 ( -0.160 9.281 -0.287) 9.287 4.898 ( -1.720 -0.811 -5.559) 5.875 5.179 ( -7.341 1.086 -3.067) 8.030 5.202 ( 10.284 -3.847 4.787) 11.978 5.320 ( -0.250 -3.567 -0.328) 3.591 5.882 ( -3.113 4.643 -6.512) 8.582 6.048 ( -1.322 -1.631 -4.487) 4.954 6.298 ( 5.881 7.898 -5.712) 11.384 6.446 ( -1.799 9.169 -5.855) 11.027 6.564 ( -0.013 2.195 -3.646) 4.256 6.935 ( -5.580 3.552 -0.950) 6.682 7.028 ( 1.015 2.780 8.860) 9.341 7.143 ( -1.922 -0.819 -0.740) 2.216 7.257 ( -2.006 -0.541 0.642) 2.175 7.440 ( -4.892 0.344 2.618) 5.560 8.174 ( 1.617 -1.156 -12.646) 12.801 8.392 ( -2.428 1.726 3.497) 4.594 8.629 ( -0.176 0.599 0.819) 1.029 8.857 ( -1.627 -1.523 9.105) 9.374 8.966 ( 0.535 -2.667 -8.135) 8.578 9.234 ( 3.233 -1.432 5.077) 6.187 9.427 ( 0.202 2.146 4.029) 4.570 10.004 ( 6.067 4.147 4.466) 8.599 10.264 ( 4.751 -0.411 -12.477) 13.357 10.795 ( -3.784 -0.722 16.101) 16.556 11.628 ( 0.046 0.325 3.536) 3.551 12.021 ( 10.161 -5.974 -6.999) 13.708 12.175 ( 0.666 -1.296 -5.040) 5.246 12.668 ( 0.332 0.628 3.175) 3.254 13.277 ( 1.369 1.194 -7.358) 7.579 13.495 ( 0.117 -1.394 3.911) 4.154 13.607 ( -3.717 0.665 -5.105) 6.350 14.935 ( -0.246 0.260 6.648) 6.658 15.200 ( -0.455 0.778 0.523) 1.042 16.292 ( -0.211 -4.828 -2.567) 5.472 16.446 ( 4.570 -1.000 1.189) 4.827 17.340 ( -0.427 9.501 10.420) 14.108 17.436 ( -8.541 5.432 -2.352) 10.392 17.808 ( 1.085 1.224 1.879) 2.491 18.063 ( -1.458 -1.100 -10.791) 10.945 18.307 ( -5.098 0.927 -0.053) 5.182 18.643 ( 0.015 -2.044 -3.390) 3.959 22.102 ( 1.311 -3.921 -2.736) 4.957 22.205 ( 2.059 -0.753 1.169) 2.485 26.603 ( -4.981 5.085 -4.419) 8.379 26.754 ( 0.688 -1.784 -1.459) 2.405 28.158 ( 0.082 0.665 -0.351) 0.756 28.174 ( 2.022 -1.009 -0.282) 2.277 28.949 ( 0.645 -6.051 -2.323) 6.514 29.314 ( -1.959 0.826 -1.148) 2.416 30.029 ( 0.237 9.419 14.247) 17.081 30.175 ( 7.382 3.275 2.099) 8.344 30.869 ( 4.639 7.936 53.740) 54.520 32.290 ( 5.262 2.545 -7.788) 9.737 34.097 ( -9.043 9.282 -2.501) 13.198 34.257 ( 1.197 0.633 2.197) 2.581 34.663 ( -3.083 0.956 -1.516) 3.566 35.201 ( 4.573 -16.472 -17.253) 24.288 ======================= Grid point 165 (70/160) ======================= q-point: (-0.11 -0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( 1.418 0.000 33.558) 33.588 0.438 ( -10.596 -0.000 22.334) 24.720 0.783 ( -41.893 -0.000 7.838) 42.620 2.189 ( -0.951 -0.000 -5.011) 5.101 2.429 ( 1.180 0.000 -16.424) 16.466 2.653 ( 8.262 0.000 -11.324) 14.018 2.791 ( -4.370 -0.000 8.439) 9.504 3.123 ( -8.505 -0.000 12.322) 14.972 3.675 ( 7.252 0.000 0.834) 7.300 3.904 ( -3.722 -0.000 14.393) 14.866 3.954 ( 13.326 0.000 -3.034) 13.667 4.177 ( -0.151 -0.000 1.283) 1.291 4.338 ( -6.242 -0.000 0.651) 6.275 4.682 ( -4.910 -0.000 4.495) 6.657 4.819 ( 0.901 0.000 -3.830) 3.935 5.062 ( -4.689 -0.000 -10.558) 11.552 5.153 ( -5.380 -0.000 -0.668) 5.422 5.179 ( 5.243 0.000 1.345) 5.413 5.251 ( 0.084 0.000 -0.731) 0.736 5.922 ( -2.993 -0.000 -10.242) 10.670 5.981 ( -3.051 -0.000 -4.365) 5.325 6.417 ( 1.842 0.000 -10.496) 10.657 6.512 ( -7.182 -0.000 -24.781) 25.800 6.516 ( -1.444 -0.000 -0.505) 1.530 6.904 ( -9.156 -0.000 -1.352) 9.255 7.065 ( -1.171 -0.000 -0.250) 1.197 7.108 ( -4.852 -0.000 -8.959) 10.189 7.164 ( -1.579 -0.000 6.876) 7.055 7.482 ( -1.363 -0.000 10.834) 10.919 8.097 ( -0.618 -0.000 -12.282) 12.297 8.419 ( -0.511 -0.000 7.039) 7.058 8.646 ( -0.404 -0.000 1.325) 1.386 8.853 ( -6.365 -0.000 3.177) 7.113 8.926 ( 4.940 0.000 6.449) 8.123 9.291 ( 10.488 0.000 5.496) 11.841 9.457 ( 0.780 0.000 2.127) 2.266 10.186 ( 9.109 0.000 -6.460) 11.168 10.293 ( 11.453 0.000 -0.644) 11.472 10.824 ( -2.478 -0.000 18.520) 18.685 11.652 ( 0.787 0.000 6.382) 6.430 11.943 ( 3.803 0.000 -3.942) 5.477 12.156 ( 2.010 0.000 -4.333) 4.776 12.685 ( -0.326 -0.000 3.076) 3.093 13.268 ( 0.525 0.000 -7.345) 7.364 13.492 ( -0.309 -0.000 3.779) 3.792 13.563 ( -4.498 -0.000 -6.186) 7.649 15.013 ( 8.342 0.000 11.914) 14.544 15.206 ( -0.565 -0.000 0.683) 0.887 16.239 ( 0.384 0.000 -2.150) 2.184 16.461 ( 3.109 0.000 -0.627) 3.171 17.434 ( -0.074 -0.000 -0.187) 0.201 17.513 ( -14.040 -0.000 -10.973) 17.820 17.818 ( 0.406 0.000 2.031) 2.072 17.992 ( 1.193 0.000 -4.610) 4.762 18.282 ( -3.982 -0.000 -0.123) 3.984 18.577 ( -1.134 -0.000 -0.617) 1.291 22.032 ( -0.477 -0.000 -1.078) 1.179 22.214 ( 1.127 0.000 0.754) 1.356 26.595 ( -7.369 -0.000 -8.067) 10.926 26.733 ( 0.655 0.000 -1.011) 1.205 28.175 ( 1.867 0.000 -0.156) 1.873 28.200 ( 5.463 0.000 4.170) 6.873 28.856 ( -4.271 -0.000 4.208) 5.995 29.304 ( -1.577 -0.000 -1.481) 2.164 30.162 ( 0.277 0.000 3.687) 3.697 30.279 ( 6.443 0.000 0.742) 6.485 31.706 ( 70.842 0.000 86.998) 112.193 32.337 ( 6.696 0.000 -7.207) 9.837 34.266 ( 0.882 0.000 2.898) 3.029 34.305 ( -6.018 -0.000 0.595) 6.047 34.519 ( -30.598 -0.000 -39.259) 49.774 34.670 ( -10.546 -0.000 -10.339) 14.768 ======================= Grid point 166 (71/160) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -7.453 -0.000 22.961) 24.141 1.124 ( 5.753 0.000 20.016) 20.826 1.640 ( 11.123 0.000 16.936) 20.262 2.102 ( 8.591 0.000 12.094) 14.835 2.115 ( 7.622 0.000 -15.226) 17.027 2.561 ( 2.730 0.000 -2.286) 3.560 3.078 ( -1.381 -0.000 13.506) 13.576 3.256 ( 0.812 0.000 7.535) 7.578 3.942 ( -1.089 -0.000 -4.969) 5.087 4.081 ( 9.357 0.000 12.980) 16.001 4.152 ( 8.248 0.000 -1.494) 8.382 4.283 ( 3.141 0.000 3.864) 4.980 4.435 ( -11.373 -0.000 20.012) 23.018 4.594 ( -14.616 -0.000 0.089) 14.616 4.676 ( 1.935 0.000 -6.030) 6.333 4.809 ( 4.663 0.000 1.147) 4.802 4.924 ( -8.414 -0.000 -7.418) 11.217 5.141 ( -3.595 -0.000 0.071) 3.595 5.522 ( 1.999 0.000 -5.803) 6.138 5.758 ( 12.950 0.000 -8.247) 15.353 5.759 ( -2.465 -0.000 5.187) 5.743 6.141 ( -1.499 -0.000 -9.644) 9.760 6.298 ( 5.480 0.000 -15.571) 16.507 6.512 ( 1.957 0.000 -0.107) 1.960 6.524 ( -5.367 -0.000 0.129) 5.369 6.645 ( -12.156 -0.000 -18.884) 22.459 6.880 ( -4.269 -0.000 -3.139) 5.299 7.123 ( -6.139 -0.000 -5.925) 8.532 7.968 ( 0.596 0.000 4.098) 4.141 7.984 ( 8.370 0.000 10.009) 13.047 8.624 ( 1.928 0.000 5.295) 5.635 8.734 ( 2.113 0.000 2.422) 3.214 8.792 ( -7.330 -0.000 3.369) 8.067 9.256 ( 5.885 0.000 -10.748) 12.254 9.287 ( 4.688 0.000 9.951) 11.000 9.596 ( -1.380 -0.000 8.460) 8.572 9.875 ( -1.214 -0.000 -11.066) 11.132 10.219 ( 0.057 0.000 -9.146) 9.146 11.210 ( -6.449 -0.000 15.654) 16.930 11.777 ( -8.611 -0.000 6.810) 10.978 11.869 ( 4.036 0.000 -6.449) 7.607 12.119 ( 7.319 0.000 -3.838) 8.264 12.654 ( -5.383 -0.000 1.129) 5.500 13.058 ( 3.405 0.000 -9.737) 10.316 13.544 ( -2.783 -0.000 1.481) 3.153 13.563 ( 4.952 0.000 0.264) 4.959 15.222 ( -0.775 -0.000 1.183) 1.414 15.240 ( 2.060 0.000 1.073) 2.322 16.223 ( 3.288 0.000 -0.231) 3.296 16.401 ( -2.445 -0.000 -4.130) 4.800 17.215 ( -8.788 -0.000 5.593) 10.417 17.403 ( 1.509 0.000 -1.230) 1.947 17.926 ( -1.790 -0.000 4.930) 5.245 18.192 ( 6.271 0.000 -2.850) 6.888 18.327 ( 6.737 0.000 1.701) 6.948 18.505 ( -1.240 -0.000 -3.087) 3.327 22.060 ( 3.498 0.000 1.180) 3.692 22.170 ( -3.447 -0.000 -2.036) 4.003 26.550 ( 2.380 0.000 0.879) 2.537 26.678 ( -0.557 -0.000 -2.852) 2.906 28.190 ( -0.942 -0.000 0.716) 1.183 28.324 ( 6.949 0.000 -2.498) 7.384 28.916 ( -3.631 -0.000 5.065) 6.232 29.211 ( 0.376 0.000 -4.039) 4.056 30.261 ( -3.695 -0.000 4.903) 6.139 30.380 ( 4.327 0.000 1.571) 4.603 32.032 ( -58.686 -0.000 2.755) 58.750 32.322 ( 14.452 0.000 -5.250) 15.376 34.142 ( 26.157 0.000 -0.713) 26.166 34.145 ( -7.848 -0.000 -1.508) 7.992 34.419 ( 0.863 0.000 4.251) 4.338 34.614 ( 1.914 0.000 -1.926) 2.715 ======================= Grid point 167 (72/160) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 7.927 -10.750 17.967) 22.388 1.309 ( 4.603 -7.211 16.781) 18.835 1.735 ( 2.977 -1.834 -1.023) 3.643 1.987 ( 13.811 7.902 3.156) 16.221 2.254 ( 7.730 4.686 -1.434) 9.152 2.689 ( 3.392 -12.657 0.392) 13.109 3.203 ( -5.695 -7.630 6.551) 11.557 3.292 ( 4.679 2.646 7.683) 9.376 3.921 ( 1.690 0.226 -4.358) 4.680 4.136 ( 3.356 2.197 -1.417) 4.254 4.163 ( -1.167 1.124 13.575) 13.672 4.317 ( 1.354 0.413 3.638) 3.903 4.415 ( -5.199 1.660 14.016) 15.041 4.488 ( -11.321 0.403 -0.456) 11.338 4.657 ( 1.548 1.210 -3.381) 3.910 4.853 ( 4.430 -1.195 3.930) 6.041 4.899 ( -2.212 -0.671 -4.275) 4.860 5.127 ( -1.072 -1.832 -2.326) 3.149 5.503 ( 2.086 -1.649 -13.229) 13.494 5.778 ( 3.691 -0.453 12.804) 13.333 5.847 ( 9.588 -1.227 -11.083) 14.706 6.064 ( -2.712 2.758 -10.799) 11.471 6.252 ( 3.914 2.248 -5.110) 6.818 6.466 ( -5.037 1.643 2.193) 5.734 6.506 ( -11.288 -0.989 -17.451) 20.807 6.621 ( 4.538 -5.635 -1.242) 7.340 6.867 ( -1.821 -1.462 -2.714) 3.581 7.070 ( -4.610 -1.037 -7.101) 8.530 7.973 ( 1.541 1.820 4.840) 5.396 8.039 ( 5.705 2.806 4.452) 7.762 8.637 ( 0.111 1.014 3.910) 4.041 8.703 ( -6.047 3.586 2.504) 7.463 8.784 ( 3.610 -1.092 2.784) 4.687 9.143 ( 0.336 7.760 -4.960) 9.216 9.368 ( 4.026 0.961 4.754) 6.303 9.588 ( -2.981 1.756 9.508) 10.118 9.850 ( -0.820 -2.155 -10.992) 11.231 10.149 ( -0.516 2.557 -6.138) 6.669 11.200 ( -6.192 0.876 14.756) 16.026 11.732 ( -6.639 0.148 5.880) 8.870 11.888 ( 1.924 -1.061 -8.190) 8.479 12.171 ( 7.724 -0.368 -3.115) 8.336 12.624 ( -4.056 0.006 1.473) 4.315 13.065 ( 4.855 -0.573 -9.545) 10.724 13.534 ( -3.644 -1.072 0.808) 3.884 13.604 ( 4.265 -0.536 0.311) 4.310 15.190 ( -0.749 4.381 2.670) 5.185 15.211 ( -0.434 1.444 0.999) 1.809 16.289 ( 4.061 -4.064 -0.113) 5.746 16.367 ( -4.518 -0.526 -4.159) 6.163 17.184 ( -6.616 -0.375 6.050) 8.973 17.463 ( 3.016 -3.609 -0.975) 4.804 17.899 ( -2.372 2.378 4.847) 5.897 18.191 ( 2.271 1.776 -2.716) 3.961 18.357 ( 5.435 2.466 2.074) 6.318 18.516 ( 1.922 -1.440 -4.333) 4.954 22.115 ( 1.404 -1.982 0.419) 2.465 22.152 ( -1.270 -1.532 -1.872) 2.732 26.565 ( 2.810 0.808 1.053) 3.107 26.682 ( -0.253 -1.633 -3.386) 3.767 28.180 ( -1.881 0.174 0.207) 1.900 28.319 ( 5.052 4.241 -1.662) 6.802 28.923 ( -1.627 -1.443 2.936) 3.654 29.196 ( 1.492 1.043 -3.953) 4.352 30.169 ( -5.518 6.977 4.889) 10.150 30.370 ( 2.764 5.014 1.097) 5.830 31.417 ( -45.424 12.707 22.068) 52.075 32.399 ( 10.517 2.549 -3.403) 11.344 34.073 ( -1.626 1.169 -0.093) 2.004 34.188 ( 5.504 4.867 -0.933) 7.406 34.635 ( 0.035 -2.316 -1.257) 2.636 34.754 ( 10.188 -18.022 -7.921) 22.166 ======================= Grid point 168 (73/160) ======================= q-point: ( 0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 8.426 -3.536 5.266) 10.547 1.528 ( -0.727 -10.033 6.834) 12.161 1.772 ( 2.454 -3.046 -6.088) 7.236 2.056 ( 16.764 1.020 4.820) 17.473 2.213 ( 7.296 2.770 5.573) 9.590 2.911 ( -0.925 -7.855 -9.109) 12.064 3.226 ( -4.342 4.117 3.959) 7.174 3.293 ( -1.172 -3.387 4.818) 6.005 3.851 ( 0.133 5.013 -6.773) 8.427 4.127 ( -5.102 1.104 2.452) 5.767 4.203 ( 5.394 0.981 9.090) 10.615 4.265 ( -0.755 2.825 -1.633) 3.349 4.426 ( 0.532 -1.177 5.403) 5.555 4.484 ( -5.962 -6.694 2.186) 9.227 4.632 ( -0.506 1.572 2.422) 2.932 4.828 ( 0.829 5.793 -0.095) 5.853 4.916 ( 3.286 -0.910 2.647) 4.317 5.202 ( 1.126 -6.601 -0.212) 6.699 5.586 ( 5.390 -6.046 -7.386) 10.962 5.838 ( 3.161 1.825 4.850) 6.070 5.869 ( 7.489 1.805 -11.785) 14.079 5.996 ( -3.285 -0.135 -1.022) 3.443 6.198 ( 0.033 4.475 -1.487) 4.716 6.376 ( -6.761 0.472 -4.056) 7.899 6.488 ( -2.363 -6.286 -4.285) 7.966 6.712 ( 2.684 -0.890 0.004) 2.828 6.872 ( -1.282 -1.108 -2.754) 3.234 7.038 ( -1.554 -0.004 -6.845) 7.019 7.949 ( 1.688 3.559 3.903) 5.546 8.018 ( 3.708 2.869 -0.781) 4.753 8.568 ( -5.824 3.871 2.742) 7.511 8.661 ( -0.332 -0.285 3.209) 3.239 8.822 ( 0.934 -0.134 1.151) 1.488 9.028 ( 1.701 2.239 -5.963) 6.593 9.360 ( 1.299 3.230 6.497) 7.371 9.550 ( -3.813 2.862 9.286) 10.438 9.868 ( 1.098 -3.356 -11.081) 11.630 10.086 ( 2.149 3.682 -4.916) 6.507 11.185 ( -5.993 0.689 13.053) 14.379 11.705 ( -6.021 -0.252 5.509) 8.165 11.877 ( 1.684 0.362 -9.599) 9.752 12.219 ( 7.210 0.451 -3.240) 7.917 12.598 ( -3.517 0.321 2.237) 4.181 13.079 ( 5.593 0.211 -9.187) 10.758 13.532 ( -4.244 -1.700 0.250) 4.578 13.649 ( 3.614 -0.821 0.636) 3.760 15.120 ( -0.987 3.043 3.503) 4.744 15.178 ( -0.467 1.966 0.057) 2.021 16.333 ( -5.221 -1.247 -2.879) 6.091 16.426 ( 4.673 -6.758 -0.858) 8.261 17.161 ( -7.263 -0.605 7.351) 10.352 17.525 ( 2.394 -0.538 -0.534) 2.511 17.843 ( -1.142 3.957 5.956) 7.241 18.160 ( 2.136 1.876 -3.689) 4.658 18.355 ( 1.636 1.165 2.147) 2.940 18.534 ( 3.064 0.202 -3.735) 4.835 22.123 ( -4.321 -1.843 -1.644) 4.977 22.210 ( 3.950 -2.041 0.684) 4.498 26.572 ( 1.558 0.724 1.651) 2.382 26.703 ( 0.474 -1.660 -3.812) 4.185 28.157 ( -2.563 0.374 -0.654) 2.671 28.258 ( 3.384 4.594 -0.185) 5.709 28.957 ( -0.085 -2.233 -0.320) 2.258 29.169 ( 2.661 1.979 -4.158) 5.318 30.002 ( -5.861 6.509 4.691) 9.936 30.251 ( 0.212 8.241 0.958) 8.299 31.140 ( -24.807 -0.684 24.313) 34.741 32.361 ( 6.506 6.587 -3.200) 9.796 34.047 ( -4.846 -0.553 -2.212) 5.355 34.134 ( 6.345 4.803 1.979) 8.200 34.674 ( -2.814 -2.722 -0.413) 3.937 35.054 ( 8.195 -10.069 -8.789) 15.678 ======================= Grid point 169 (74/160) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 2.434 1.345 0.923) 2.930 1.649 ( -3.542 -4.156 -7.764) 9.492 1.836 ( -0.049 -3.596 -6.983) 7.854 2.155 ( 13.244 2.764 0.838) 13.556 2.348 ( 10.468 -3.934 17.435) 20.713 2.892 ( -4.744 -0.895 -18.659) 19.273 3.160 ( -9.224 0.829 11.441) 14.720 3.344 ( 0.329 -0.235 5.087) 5.103 3.801 ( 6.059 -0.630 -3.579) 7.065 4.088 ( -0.120 0.027 -2.512) 2.515 4.190 ( -4.875 1.228 0.513) 5.053 4.251 ( 5.625 3.526 7.057) 9.689 4.435 ( -0.687 0.694 -1.475) 1.769 4.567 ( -3.461 -4.022 -8.905) 10.366 4.625 ( -3.948 -1.049 11.212) 11.933 4.776 ( 5.312 0.623 1.322) 5.509 4.964 ( 6.625 0.502 -0.773) 6.688 5.364 ( -2.214 -9.074 2.202) 9.597 5.667 ( 0.192 0.219 -8.168) 8.173 5.759 ( 3.258 8.141 9.225) 12.728 5.813 ( 3.938 2.745 -16.480) 17.165 5.993 ( -3.137 -1.182 2.617) 4.253 6.103 ( -3.320 4.223 0.935) 5.453 6.371 ( 2.646 -0.597 0.169) 2.718 6.612 ( 0.579 -6.478 0.909) 6.567 6.740 ( -1.624 -4.661 -2.651) 5.603 6.868 ( 0.135 0.744 0.565) 0.944 6.996 ( 1.108 1.247 -6.549) 6.758 7.915 ( 1.006 1.381 1.921) 2.571 7.994 ( 2.641 2.153 -1.716) 3.815 8.496 ( -4.683 0.176 2.832) 5.476 8.677 ( -0.713 -0.533 2.463) 2.619 8.841 ( -0.062 -2.148 -2.417) 3.235 9.012 ( 3.878 1.066 -5.489) 6.805 9.319 ( -2.148 2.849 7.801) 8.578 9.503 ( -3.788 1.856 8.671) 9.643 9.913 ( 3.359 -3.311 -10.850) 11.831 9.993 ( 3.041 6.640 -4.785) 8.731 11.168 ( -6.363 0.619 12.249) 13.816 11.685 ( -5.498 -0.580 4.922) 7.402 11.848 ( 2.395 0.774 -9.568) 9.893 12.232 ( 5.992 2.261 -4.296) 7.712 12.583 ( -2.609 -0.503 3.541) 4.427 13.079 ( 5.134 0.886 -8.899) 10.312 13.533 ( -4.258 -1.754 -0.108) 4.606 13.689 ( 2.864 -0.332 0.912) 3.024 15.087 ( -0.723 0.966 2.661) 2.921 15.134 ( -0.486 2.108 -0.433) 2.206 16.322 ( -4.433 -2.405 -1.221) 5.189 16.585 ( 4.541 -6.256 -2.544) 8.139 17.152 ( -7.564 -1.644 9.545) 12.289 17.524 ( 0.674 1.243 0.831) 1.640 17.772 ( 0.129 5.543 6.640) 8.651 18.131 ( 2.856 1.688 -5.422) 6.357 18.351 ( -0.072 0.573 1.309) 1.431 18.532 ( 2.099 0.794 -2.743) 3.544 22.122 ( -4.145 -2.011 -1.561) 4.864 22.272 ( 3.667 -0.932 1.875) 4.223 26.569 ( -0.302 0.733 1.547) 1.738 26.726 ( 1.455 -1.353 -3.352) 3.897 28.124 ( -2.309 0.617 -1.516) 2.830 28.214 ( 2.794 2.502 -0.385) 3.770 28.999 ( 0.173 -2.479 -1.805) 3.071 29.137 ( 3.547 2.325 -4.871) 6.459 29.893 ( -3.322 2.587 2.643) 4.971 30.104 ( -0.811 6.924 0.820) 7.020 31.124 ( -14.841 -3.747 22.424) 27.150 32.257 ( 3.286 6.667 -3.666) 8.288 33.992 ( -4.814 1.059 -3.060) 5.802 34.138 ( 7.574 1.965 4.474) 9.013 34.678 ( -6.779 -1.930 -1.719) 7.255 35.228 ( 7.801 -5.031 -5.584) 10.832 ======================= Grid point 170 (75/160) ======================= q-point: ( 0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -1.418 3.285 2.459) 4.341 1.677 ( 0.129 -5.452 -12.226) 13.387 1.839 ( -2.552 -0.953 -2.898) 3.978 2.134 ( 6.832 6.603 -5.738) 11.100 2.495 ( 1.747 0.123 9.082) 9.249 2.862 ( -1.512 -3.593 -6.693) 7.745 3.171 ( -0.738 -3.289 11.761) 12.234 3.351 ( -2.341 0.320 7.296) 7.669 3.888 ( 7.160 -1.070 -1.631) 7.421 4.085 ( -5.300 2.220 -0.086) 5.747 4.093 ( 0.310 2.069 -3.921) 4.444 4.255 ( 2.410 1.249 7.776) 8.237 4.415 ( -0.811 -1.149 -7.324) 7.458 4.555 ( -3.847 -2.014 -5.690) 7.158 4.660 ( -5.807 -2.092 7.771) 9.924 4.855 ( 5.391 -1.474 4.556) 7.211 4.948 ( 7.238 7.039 -3.992) 10.856 5.446 ( -0.239 0.907 0.729) 1.188 5.565 ( 0.827 1.966 1.998) 2.922 5.725 ( -4.042 -1.412 -7.649) 8.766 5.794 ( 1.926 -1.988 -8.268) 8.719 5.940 ( -1.752 9.794 -2.143) 10.177 6.036 ( -1.145 -4.610 1.211) 4.902 6.363 ( 5.962 4.840 1.697) 7.865 6.711 ( -1.087 -1.586 1.660) 2.540 6.846 ( -2.231 -0.590 -3.558) 4.241 6.864 ( -0.132 -9.373 -0.143) 9.375 7.032 ( 5.257 -4.021 1.337) 6.752 7.917 ( -0.220 -0.157 -0.630) 0.686 7.956 ( 0.677 2.784 -2.178) 3.599 8.508 ( -3.807 -3.297 4.977) 7.080 8.689 ( 0.069 -0.803 1.238) 1.478 8.855 ( 2.135 1.327 -4.351) 5.025 8.986 ( 2.069 2.553 -3.711) 4.957 9.306 ( -3.659 -1.264 7.621) 8.547 9.480 ( -3.558 0.550 7.847) 8.634 9.866 ( 2.432 6.719 -4.736) 8.572 9.964 ( 4.832 -2.481 -10.682) 11.984 11.148 ( -6.137 0.785 12.690) 14.118 11.682 ( -3.823 -1.485 3.661) 5.497 11.830 ( 3.512 0.167 -8.631) 9.320 12.201 ( 4.354 3.204 -5.384) 7.630 12.602 ( -1.467 -1.558 4.537) 5.017 13.068 ( 4.169 0.857 -8.973) 9.931 13.533 ( -3.707 -1.549 -0.354) 4.034 13.707 ( 1.818 0.763 1.128) 2.272 15.076 ( -0.726 1.246 1.321) 1.955 15.101 ( -0.253 0.172 0.104) 0.323 16.348 ( -2.945 -3.413 0.192) 4.512 16.677 ( 2.969 -1.014 -4.906) 5.823 17.177 ( -6.420 -2.907 12.135) 14.033 17.527 ( 0.040 -1.341 2.521) 2.856 17.678 ( -0.430 6.625 6.005) 8.952 18.102 ( 3.881 2.052 -7.021) 8.280 18.344 ( -0.772 0.048 0.933) 1.211 18.523 ( 0.472 0.206 -2.188) 2.248 22.124 ( -2.975 -1.604 -1.445) 3.676 22.311 ( 2.989 0.299 2.601) 3.973 26.550 ( -1.595 0.858 1.071) 2.104 26.753 ( 2.129 -1.051 -2.647) 3.556 28.095 ( -1.280 0.318 -2.177) 2.545 28.200 ( 2.262 1.016 -0.754) 2.591 29.039 ( 0.090 -2.140 -1.558) 2.649 29.108 ( 3.649 1.525 -6.230) 7.379 29.865 ( -0.676 -0.416 0.520) 0.949 29.996 ( -0.984 4.073 1.130) 4.340 31.169 ( -10.626 -3.117 22.007) 24.636 32.156 ( 1.915 4.503 -3.992) 6.315 33.936 ( -3.244 0.373 -2.119) 3.893 34.190 ( 8.171 0.699 5.172) 9.696 34.635 ( -9.284 -1.088 -3.441) 9.961 35.333 ( 6.588 -2.075 -3.721) 7.846 ======================= Grid point 171 (76/160) ======================= q-point: (-0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -1.302 5.030 -0.123) 5.197 1.655 ( -6.597 3.492 -8.295) 11.159 1.895 ( 3.538 -3.603 -1.971) 5.420 2.018 ( 3.802 6.330 -7.185) 10.304 2.492 ( -2.773 -0.921 0.471) 2.960 2.897 ( -0.875 -0.321 0.013) 0.932 3.257 ( 0.708 1.112 8.540) 8.641 3.372 ( -1.496 -0.708 12.163) 12.275 3.874 ( 0.299 2.568 -1.251) 2.872 3.971 ( -1.721 4.460 -2.437) 5.366 4.112 ( -1.369 -3.923 -0.289) 4.165 4.268 ( 0.535 1.703 3.774) 4.175 4.405 ( 0.818 -0.360 -5.679) 5.749 4.573 ( -1.050 0.914 4.485) 4.696 4.671 ( -3.647 -4.899 -3.533) 7.055 4.766 ( -1.900 8.788 5.035) 10.305 4.970 ( 7.735 0.185 3.614) 8.539 5.361 ( -3.328 4.248 -1.416) 5.579 5.590 ( -0.977 1.395 -2.841) 3.312 5.715 ( 2.893 4.657 -7.670) 9.428 5.766 ( -2.157 -5.050 -1.919) 5.817 5.846 ( 4.714 -3.835 -7.938) 9.997 6.141 ( -1.255 -3.969 -4.306) 5.990 6.351 ( 7.379 1.217 8.441) 11.277 6.687 ( -4.919 -0.577 -2.085) 5.373 6.826 ( -5.013 -2.609 -10.550) 11.969 7.068 ( 4.997 -6.500 10.584) 13.388 7.171 ( 1.594 -6.162 1.680) 6.583 7.863 ( -2.011 5.498 -5.151) 7.798 7.907 ( -0.429 0.299 -1.786) 1.861 8.572 ( -3.314 -2.819 8.911) 9.916 8.736 ( 2.905 -2.447 -0.326) 3.812 8.797 ( 3.526 3.912 -3.306) 6.218 8.931 ( -0.514 2.273 -4.512) 5.079 9.310 ( -3.444 1.729 6.691) 7.721 9.488 ( -3.067 -1.094 7.971) 8.611 9.790 ( 1.653 0.206 -5.231) 5.489 10.002 ( 4.975 -1.251 -10.790) 11.947 11.131 ( -5.140 0.911 13.559) 14.529 11.704 ( -1.734 -1.624 3.051) 3.867 11.841 ( 4.683 -0.971 -8.041) 9.356 12.156 ( 3.178 2.489 -5.876) 7.129 12.642 ( -1.090 -1.998 4.707) 5.228 13.055 ( 3.399 0.316 -9.303) 9.910 13.533 ( -2.672 -1.214 -0.565) 2.989 13.695 ( 0.660 1.913 1.465) 2.498 15.043 ( -0.802 1.488 1.389) 2.187 15.119 ( 0.038 -1.498 0.291) 1.526 16.398 ( -1.609 -3.271 0.573) 3.690 16.634 ( 1.245 4.787 -5.162) 7.150 17.239 ( -4.125 -3.321 13.828) 14.807 17.559 ( -2.870 5.678 4.543) 7.818 17.596 ( -0.152 -4.038 2.357) 4.678 18.072 ( 5.141 2.135 -6.823) 8.806 18.342 ( -1.276 -0.121 0.933) 1.585 18.524 ( -0.747 -1.269 -2.131) 2.590 22.126 ( -1.198 -0.735 -1.489) 2.047 22.323 ( 2.012 1.348 2.557) 3.521 26.526 ( -1.821 0.564 0.978) 2.143 26.775 ( 2.034 -0.316 -2.489) 3.230 28.081 ( -0.156 -0.320 -2.310) 2.337 28.199 ( 1.634 0.518 -0.575) 1.808 29.051 ( 1.769 1.200 -2.040) 2.955 29.114 ( 1.064 -2.583 -6.014) 6.631 29.898 ( 1.622 -2.756 -0.843) 3.307 29.949 ( -1.137 0.595 2.562) 2.865 31.219 ( -9.067 -2.408 22.978) 24.819 32.097 ( 2.531 2.025 -4.632) 5.653 33.918 ( -2.325 -1.184 -1.471) 2.995 34.268 ( 9.516 0.156 5.711) 11.100 34.563 ( -10.547 -0.845 -4.609) 11.542 35.379 ( 4.462 0.374 -4.094) 6.067 ======================= Grid point 172 (77/160) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 2.614 8.457 1.535) 8.984 1.442 ( -11.697 8.483 0.960) 14.481 1.899 ( 1.906 7.886 -3.733) 8.931 1.932 ( 6.138 0.879 -10.177) 11.917 2.478 ( -10.056 -0.356 -3.939) 10.806 2.830 ( 5.248 7.721 0.705) 9.362 3.237 ( -2.892 2.040 9.682) 10.308 3.384 ( -3.359 0.152 10.168) 10.710 3.875 ( 2.593 2.350 3.736) 5.118 3.886 ( 4.350 1.698 -3.577) 5.882 4.192 ( -5.947 -4.655 1.839) 7.773 4.241 ( -0.538 0.597 -0.285) 0.853 4.390 ( 5.520 3.713 2.521) 7.114 4.541 ( 2.356 1.981 -1.356) 3.364 4.596 ( -7.460 4.711 15.671) 17.984 4.793 ( 1.425 -6.900 -11.868) 13.802 4.962 ( -3.009 3.218 2.339) 4.988 5.330 ( -1.663 -4.232 1.002) 4.656 5.509 ( 2.888 5.085 -0.631) 5.882 5.664 ( 2.860 1.509 -9.546) 10.079 5.875 ( 3.312 -7.129 -5.628) 9.668 5.957 ( -3.113 -3.865 -0.271) 4.970 6.117 ( 5.106 1.318 -8.449) 9.960 6.476 ( 2.454 -4.419 5.803) 7.695 6.679 ( -4.180 -2.959 -2.552) 5.722 6.802 ( -7.528 -4.404 -9.917) 13.207 7.198 ( -1.138 -2.092 5.374) 5.878 7.286 ( 0.854 -3.747 2.228) 4.443 7.710 ( -2.731 5.653 -1.594) 6.477 7.905 ( 2.092 -0.707 -4.938) 5.409 8.582 ( -1.217 2.454 8.573) 9.000 8.715 ( 0.696 2.650 -0.014) 2.739 8.832 ( 0.952 1.260 -3.258) 3.620 8.931 ( 4.440 -6.561 -2.175) 8.215 9.245 ( -4.180 3.265 4.809) 7.160 9.501 ( -4.031 -0.391 8.206) 9.151 9.851 ( 4.244 -4.957 -3.763) 7.532 10.012 ( 4.009 -0.017 -11.440) 12.122 11.128 ( -4.116 0.506 14.299) 14.888 11.729 ( -0.656 -0.751 3.723) 3.855 11.879 ( 5.522 -1.509 -8.368) 10.138 12.121 ( 2.974 1.741 -5.731) 6.687 12.686 ( -1.884 -2.136 4.196) 5.071 13.050 ( 3.352 -0.503 -9.760) 10.331 13.532 ( -1.220 -0.477 -0.750) 1.509 13.658 ( -0.334 2.598 1.937) 3.258 15.026 ( -0.475 0.384 2.859) 2.923 15.152 ( 0.032 -1.883 0.173) 1.891 16.424 ( -0.137 0.778 -2.576) 2.694 16.523 ( 0.111 4.812 -1.414) 5.016 17.330 ( -1.182 -3.802 12.988) 13.585 17.444 ( -5.808 4.073 4.430) 8.364 17.685 ( -0.972 -4.716 -0.174) 4.818 18.062 ( 6.170 1.585 -4.198) 7.630 18.331 ( -1.881 0.383 1.309) 2.323 18.543 ( -1.158 -2.118 -2.597) 3.546 22.122 ( 0.697 0.471 -1.677) 1.876 22.308 ( 0.588 2.074 1.625) 2.700 26.512 ( -1.439 -0.098 1.121) 1.827 26.775 ( 1.354 0.809 -2.706) 3.133 28.092 ( 1.142 -1.248 -1.504) 2.264 28.200 ( 0.884 0.345 -0.034) 0.950 29.024 ( 1.135 1.960 -2.316) 3.239 29.160 ( -0.234 -3.518 -4.945) 6.074 29.972 ( -1.148 -3.608 3.326) 5.040 29.992 ( 3.323 -4.810 0.242) 5.851 31.287 ( -9.323 -4.571 25.460) 27.496 32.091 ( 5.330 -0.117 -5.785) 7.866 33.927 ( -1.871 -1.639 -0.833) 2.623 34.359 ( 10.462 0.936 5.903) 12.049 34.487 ( -10.913 -2.200 -5.521) 12.427 35.348 ( 1.783 4.161 -6.734) 8.114 ======================= Grid point 173 (78/160) ======================= q-point: (-0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 7.486 14.356 14.451) 21.702 1.222 ( -8.730 8.280 11.173) 16.419 1.722 ( 1.872 11.156 -1.394) 11.397 1.935 ( -0.972 -1.459 -4.624) 4.945 2.285 ( -8.831 6.137 -9.859) 14.589 2.751 ( 10.900 9.626 0.310) 14.545 3.199 ( -4.719 2.055 10.787) 11.952 3.397 ( -3.637 1.321 8.567) 9.400 3.845 ( 4.515 2.299 3.120) 5.950 3.926 ( 8.624 0.701 0.613) 8.674 4.144 ( 0.419 4.665 -0.716) 4.739 4.236 ( -0.091 0.462 0.984) 1.090 4.400 ( -5.965 -2.852 7.621) 10.089 4.571 ( -0.916 -1.616 8.599) 8.798 4.605 ( 2.610 -4.649 2.101) 5.730 4.827 ( -1.442 1.005 -6.753) 6.978 4.936 ( -7.187 -6.435 -2.082) 9.869 5.395 ( -1.995 6.146 0.146) 6.463 5.462 ( 3.752 -5.101 0.403) 6.345 5.618 ( 3.929 3.278 -7.077) 8.733 5.897 ( -1.864 3.374 -6.738) 7.763 6.040 ( 4.861 -8.415 -6.330) 11.598 6.174 ( 2.568 -3.516 -4.898) 6.553 6.533 ( -4.165 -1.876 2.039) 5.003 6.660 ( -1.670 0.745 -10.029) 10.194 6.840 ( -8.862 -6.662 -4.179) 11.848 7.156 ( -5.623 4.352 -5.296) 8.866 7.274 ( -6.126 1.278 -3.015) 6.947 7.700 ( 4.078 -2.364 10.602) 11.603 7.930 ( 3.784 -1.189 -5.410) 6.709 8.579 ( 1.224 0.517 9.887) 9.976 8.670 ( -0.858 1.480 1.199) 2.089 8.788 ( -1.895 0.490 -3.890) 4.355 9.121 ( 6.545 -7.439 -1.906) 10.090 9.179 ( -3.147 1.854 4.775) 6.011 9.513 ( -3.169 -1.191 8.660) 9.299 9.965 ( 3.332 -1.414 -4.672) 5.910 10.008 ( 5.580 -3.406 -9.511) 11.541 11.145 ( -3.852 -0.414 15.187) 15.673 11.748 ( -0.819 -0.575 4.677) 4.783 11.914 ( 4.989 -0.524 -8.383) 9.770 12.097 ( 3.979 1.569 -5.305) 6.814 12.711 ( -3.883 -1.341 2.908) 5.033 13.061 ( 3.806 -1.165 -10.120) 10.875 13.527 ( 0.845 0.545 -0.573) 1.157 13.611 ( -1.071 2.418 2.234) 3.462 15.051 ( 0.812 -1.953 4.524) 4.994 15.187 ( -0.240 -1.724 0.453) 1.798 16.333 ( 1.874 6.319 -3.596) 7.508 16.479 ( -1.336 0.795 -0.741) 1.722 17.351 ( -7.702 1.762 4.097) 8.900 17.435 ( -0.185 -3.050 7.472) 8.072 17.760 ( 0.097 -4.276 1.009) 4.395 18.074 ( 6.553 1.385 -0.896) 6.758 18.311 ( -2.062 0.608 1.911) 2.876 18.557 ( -1.164 -1.132 -3.398) 3.766 22.105 ( 2.200 2.016 -1.794) 3.482 22.266 ( -1.318 2.267 0.055) 2.623 26.514 ( -0.802 -0.618 1.173) 1.549 26.748 ( 0.491 1.707 -2.883) 3.387 28.139 ( 2.848 -2.360 0.009) 3.699 28.202 ( 0.401 -0.122 0.488) 0.643 28.983 ( -1.062 1.826 -0.299) 2.133 29.199 ( -0.629 -2.597 -4.665) 5.376 30.072 ( -2.383 -6.664 5.540) 8.988 30.141 ( 5.451 -6.930 0.096) 8.817 31.459 ( -12.285 -14.748 27.979) 33.930 32.148 ( 9.762 -2.025 -6.484) 11.893 33.941 ( -0.693 -1.141 -0.061) 1.336 34.357 ( -3.122 2.675 0.123) 4.114 34.506 ( 2.138 -3.476 -1.175) 4.246 35.175 ( -1.029 12.525 -11.076) 16.752 ======================= Grid point 174 (79/160) ======================= q-point: (-0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -1.574 4.444 21.298) 21.813 1.117 ( -1.304 6.108 26.469) 27.196 1.532 ( 8.367 9.755 15.874) 20.424 1.944 ( -3.299 -4.713 -6.293) 8.526 2.197 ( 6.019 0.823 -10.887) 12.467 2.608 ( 7.090 10.332 0.146) 12.532 3.169 ( 0.970 6.658 12.987) 14.627 3.276 ( -8.787 4.665 5.833) 11.533 3.897 ( 7.295 -1.540 2.089) 7.743 3.993 ( 7.520 0.678 6.278) 9.820 4.108 ( 4.212 0.308 -3.563) 5.525 4.245 ( 2.951 0.278 3.471) 4.565 4.430 ( -11.005 -2.754 16.897) 20.352 4.630 ( 0.111 -3.442 -1.227) 3.656 4.707 ( -7.227 -2.523 -1.792) 7.861 4.768 ( 1.853 0.134 -2.334) 2.983 4.995 ( -6.131 -3.746 -2.694) 7.673 5.217 ( -6.219 6.081 -0.844) 8.739 5.554 ( 3.559 4.045 -5.020) 7.364 5.615 ( 5.796 -5.835 0.918) 8.275 5.817 ( 1.503 2.511 -7.533) 8.081 6.171 ( -1.862 -3.326 -6.933) 7.912 6.227 ( 5.866 -4.092 -9.922) 12.231 6.528 ( -4.402 -0.893 1.267) 4.667 6.587 ( -0.314 2.632 -8.278) 8.692 6.805 ( -12.073 -0.498 -12.627) 17.477 6.976 ( -6.890 4.524 -6.855) 10.721 7.197 ( -6.518 0.728 -4.018) 7.691 7.846 ( 6.957 -3.344 12.268) 14.495 7.958 ( 2.818 0.127 -0.508) 2.866 8.597 ( 0.716 0.912 6.505) 6.607 8.706 ( 2.713 -1.121 4.478) 5.354 8.781 ( -5.342 -3.935 0.542) 6.658 9.165 ( -0.277 -2.583 -0.880) 2.743 9.263 ( 7.097 -0.979 0.912) 7.222 9.556 ( -1.123 -1.685 8.978) 9.204 9.929 ( 0.113 1.115 -10.761) 10.819 10.153 ( 5.743 -6.475 -6.054) 10.563 11.183 ( -4.767 -1.421 15.971) 16.728 11.773 ( -3.016 -1.768 5.731) 6.714 11.904 ( 2.972 2.220 -7.215) 8.113 12.092 ( 5.763 1.014 -4.704) 7.508 12.694 ( -5.814 -0.225 1.469) 6.001 13.070 ( 3.247 -0.143 -10.317) 10.817 13.531 ( 3.532 0.507 0.299) 3.580 13.571 ( -1.644 1.474 1.940) 2.939 15.148 ( 3.131 -4.828 3.947) 6.978 15.213 ( -0.566 -1.072 0.958) 1.545 16.241 ( 2.625 3.969 -1.503) 4.990 16.441 ( -1.607 1.194 -3.131) 3.716 17.279 ( -10.435 0.319 4.689) 11.445 17.445 ( 0.158 2.769 -1.464) 3.137 17.870 ( 1.230 -4.504 5.444) 7.172 18.115 ( 8.862 -0.361 -0.124) 8.870 18.297 ( -0.638 0.181 2.430) 2.519 18.540 ( -1.123 0.761 -3.676) 3.918 22.069 ( 2.846 3.015 -0.702) 4.205 22.212 ( -2.896 1.325 -1.254) 3.423 26.529 ( 0.443 -0.609 1.129) 1.357 26.707 ( -0.163 1.575 -2.857) 3.266 28.188 ( 0.495 -0.342 0.779) 0.984 28.245 ( 4.902 -2.887 -0.189) 5.692 28.942 ( -3.266 1.192 2.994) 4.588 29.215 ( -0.411 -1.155 -4.340) 4.510 30.199 ( -2.799 -6.288 5.537) 8.834 30.301 ( 5.281 -4.522 0.687) 6.987 31.865 ( -22.986 -32.074 17.212) 43.050 32.265 ( 10.522 -3.399 -5.556) 12.375 33.968 ( 4.805 -0.768 1.576) 5.115 34.269 ( -6.987 2.265 -2.095) 7.637 34.564 ( 5.137 1.091 -1.836) 5.564 34.773 ( -2.072 23.046 -8.154) 24.534 ======================= Grid point 176 (80/160) ======================= q-point: ( 0.11 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 15.250 0.000 19.162) 24.490 1.354 ( 8.227 0.000 15.303) 17.374 1.714 ( 0.089 0.000 -5.037) 5.038 2.150 ( 10.705 0.000 -17.148) 20.215 2.489 ( 18.634 0.000 24.548) 30.819 2.512 ( -4.193 -0.000 -6.292) 7.561 3.115 ( -4.580 -0.000 8.564) 9.712 3.415 ( 9.307 0.000 10.108) 13.740 3.911 ( 2.606 0.000 -5.268) 5.877 4.182 ( -5.249 -0.000 12.001) 13.099 4.213 ( -14.778 -0.000 -0.560) 14.788 4.244 ( 4.262 0.000 -2.719) 5.056 4.433 ( -4.748 -0.000 -1.905) 5.115 4.460 ( -6.814 -0.000 18.734) 19.934 4.675 ( 4.842 0.000 -2.215) 5.325 4.792 ( -1.329 -0.000 -6.753) 6.882 4.928 ( 4.248 0.000 5.719) 7.124 5.150 ( 7.053 0.000 -0.133) 7.054 5.446 ( 0.021 0.000 -13.298) 13.298 5.794 ( -2.611 -0.000 10.181) 10.511 5.893 ( 11.666 0.000 -13.881) 18.133 6.076 ( 4.067 0.000 -9.002) 9.878 6.271 ( -1.575 -0.000 -4.510) 4.777 6.316 ( -11.622 -0.000 -17.208) 20.765 6.466 ( -1.358 -0.000 -1.976) 2.398 6.608 ( 6.776 0.000 2.898) 7.369 6.867 ( 2.949 0.000 2.088) 3.614 6.997 ( -3.957 -0.000 -7.874) 8.812 8.008 ( 0.676 0.000 5.360) 5.402 8.129 ( 4.047 0.000 4.101) 5.761 8.678 ( -1.102 -0.000 2.340) 2.587 8.701 ( -4.775 -0.000 3.695) 6.038 8.785 ( 2.927 0.000 1.235) 3.177 9.252 ( 2.102 0.000 -8.803) 9.050 9.410 ( 2.660 0.000 9.394) 9.763 9.606 ( -4.583 -0.000 8.288) 9.470 9.777 ( -1.826 -0.000 -11.202) 11.349 10.111 ( -5.900 -0.000 -6.555) 8.820 11.207 ( -6.769 -0.000 14.449) 15.956 11.699 ( -5.831 -0.000 4.418) 7.316 11.865 ( 1.120 0.000 -6.443) 6.539 12.220 ( 8.146 0.000 -2.426) 8.500 12.607 ( -2.180 -0.000 1.672) 2.747 13.067 ( 5.688 0.000 -8.543) 10.264 13.493 ( -4.551 -0.000 0.067) 4.552 13.630 ( 3.554 0.000 -0.059) 3.554 15.216 ( -0.843 -0.000 0.738) 1.121 15.236 ( -3.275 -0.000 2.189) 3.939 16.281 ( 3.744 0.000 0.581) 3.789 16.311 ( -5.049 -0.000 -4.749) 6.932 17.170 ( -2.753 -0.000 5.142) 5.833 17.444 ( 4.099 0.000 0.800) 4.176 17.896 ( -5.493 -0.000 2.944) 6.232 18.203 ( -0.068 -0.000 -2.547) 2.548 18.471 ( 9.435 0.000 -1.879) 9.620 18.481 ( 0.951 0.000 -3.269) 3.405 22.105 ( -2.530 -0.000 -2.985) 3.913 22.131 ( 4.221 0.000 1.894) 4.627 26.605 ( 4.132 0.000 -0.161) 4.135 26.649 ( -0.630 -0.000 -2.966) 3.032 28.165 ( -2.628 -0.000 0.138) 2.632 28.392 ( 4.917 0.000 -4.772) 6.851 28.912 ( -1.310 -0.000 5.390) 5.547 29.208 ( 2.375 0.000 -3.280) 4.050 30.218 ( -5.344 -0.000 3.438) 6.354 30.437 ( 1.168 0.000 2.080) 2.386 31.199 ( -56.242 -0.000 23.487) 60.949 32.489 ( 8.593 0.000 -0.155) 8.594 34.037 ( -3.590 -0.000 -2.525) 4.389 34.443 ( 13.113 0.000 -7.025) 14.876 34.463 ( 1.581 0.000 3.037) 3.424 34.680 ( 10.730 0.000 -3.846) 11.398 ======================= Grid point 177 (81/160) ======================= q-point: ( 0.22 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 14.223 -5.968 13.480) 20.484 1.460 ( 4.164 -0.592 7.437) 8.544 1.728 ( 3.672 -2.432 -6.315) 7.699 2.174 ( 13.104 0.105 -10.497) 16.790 2.396 ( 3.847 4.865 4.601) 7.723 2.753 ( 4.329 -5.359 3.123) 7.564 3.144 ( -6.229 -4.620 3.453) 8.489 3.413 ( 5.222 7.851 4.210) 10.326 3.901 ( -2.112 3.321 -5.053) 6.405 4.084 ( -8.969 -0.643 3.835) 9.776 4.218 ( 0.654 -4.877 7.440) 8.920 4.319 ( -0.536 -0.348 -2.277) 2.365 4.347 ( -2.013 0.682 -3.018) 3.692 4.442 ( -8.631 -0.159 12.220) 14.961 4.683 ( 3.812 2.341 -3.645) 5.770 4.829 ( 0.371 -2.811 0.083) 2.837 4.954 ( 1.139 1.506 6.169) 6.451 5.220 ( 10.920 0.350 2.768) 11.271 5.473 ( 3.759 -5.669 -8.671) 11.020 5.814 ( -4.989 -2.145 4.894) 7.311 5.900 ( 7.599 0.975 -19.035) 20.519 6.033 ( 1.705 3.992 -0.094) 4.342 6.242 ( -1.964 -0.580 -3.788) 4.306 6.275 ( -3.455 -5.509 -10.168) 12.070 6.402 ( -1.947 4.232 -0.517) 4.687 6.717 ( 6.761 -2.666 2.577) 7.711 6.899 ( 4.314 0.930 4.744) 6.480 6.979 ( -0.773 -2.627 -7.673) 8.147 8.019 ( 1.424 1.597 3.763) 4.329 8.113 ( 1.240 4.211 1.064) 4.517 8.595 ( -7.170 3.408 2.194) 8.236 8.690 ( 0.882 1.716 3.015) 3.579 8.844 ( 2.937 -1.362 0.539) 3.282 9.111 ( -1.055 8.388 -3.424) 9.121 9.444 ( 1.428 2.181 5.290) 5.897 9.581 ( -5.644 1.026 7.501) 9.443 9.769 ( 0.348 -3.600 -10.950) 11.532 10.078 ( -3.072 -2.017 -5.705) 6.786 11.194 ( -6.645 0.725 13.238) 14.830 11.675 ( -4.624 -0.040 3.734) 5.943 11.853 ( 0.292 -0.423 -7.439) 7.457 12.271 ( 7.344 0.124 -2.676) 7.818 12.594 ( -1.613 0.599 2.284) 2.859 13.092 ( 6.247 -0.384 -8.142) 10.269 13.468 ( -4.916 -1.222 -0.426) 5.084 13.661 ( 2.981 -0.737 0.055) 3.071 15.176 ( -3.095 2.988 2.820) 5.144 15.206 ( -1.070 1.224 0.749) 1.789 16.262 ( -5.187 -0.679 -3.916) 6.534 16.350 ( 3.429 -4.215 0.210) 5.438 17.153 ( -2.912 1.357 6.070) 6.868 17.517 ( 4.250 -2.490 0.409) 4.943 17.860 ( -5.677 -0.099 2.480) 6.196 18.185 ( 0.007 0.831 -3.073) 3.184 18.436 ( 4.003 3.518 -0.382) 5.342 18.543 ( 4.414 -0.682 -3.534) 5.696 22.075 ( -2.141 -0.002 -2.266) 3.117 22.197 ( 3.721 -2.440 0.996) 4.559 26.607 ( 1.514 1.361 -0.278) 2.055 26.667 ( 1.715 -1.698 -2.789) 3.688 28.141 ( -2.926 0.267 -0.296) 2.953 28.365 ( 3.035 4.010 -3.539) 6.150 28.932 ( -0.124 -0.842 3.727) 3.823 29.209 ( 3.277 1.113 -3.054) 4.615 30.104 ( -6.818 7.271 4.314) 10.861 30.382 ( -3.673 5.775 2.214) 7.193 30.949 ( -34.178 -4.443 26.117) 43.243 32.501 ( 3.541 4.070 -0.793) 5.453 34.008 ( -1.480 0.524 -2.127) 2.644 34.319 ( 7.674 7.998 1.444) 11.178 34.589 ( -1.788 -3.177 -4.168) 5.537 34.897 ( 11.884 -11.409 -6.007) 17.535 ======================= Grid point 178 (82/160) ======================= q-point: ( 0.33 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 1.285 2.736 -0.227) 3.032 1.559 ( 1.749 -2.689 2.336) 3.969 1.778 ( 5.656 -1.262 -9.954) 11.518 2.281 ( 12.921 -0.846 0.860) 12.977 2.453 ( 9.859 -1.674 13.169) 16.536 2.749 ( -6.179 -0.468 -19.758) 20.707 3.171 ( -6.983 0.873 10.941) 13.009 3.364 ( 4.528 0.617 1.996) 4.987 3.804 ( -0.114 0.849 -5.387) 5.455 4.052 ( -4.600 -1.485 -0.910) 4.918 4.206 ( -4.723 4.264 -3.120) 7.087 4.350 ( 5.354 0.007 6.290) 8.260 4.431 ( -4.965 -4.387 6.102) 9.007 4.446 ( 0.977 -3.566 -1.350) 3.936 4.660 ( 1.180 1.416 3.616) 4.059 4.835 ( 1.151 2.017 -1.262) 2.643 4.956 ( 1.101 -0.540 3.253) 3.476 5.305 ( 7.597 -0.645 4.435) 8.820 5.594 ( 2.009 -5.242 -7.281) 9.194 5.814 ( -7.739 -0.813 -6.501) 10.140 5.866 ( 5.967 2.109 -14.085) 15.442 5.974 ( -2.333 1.734 4.905) 5.701 6.196 ( 1.808 6.575 -3.089) 7.486 6.350 ( 4.083 -4.221 -0.138) 5.874 6.391 ( -4.887 -8.430 2.355) 10.024 6.775 ( 4.012 1.760 2.330) 4.962 6.925 ( 3.611 2.070 6.701) 7.889 7.004 ( 3.051 -1.057 -5.774) 6.616 7.974 ( 0.346 4.195 0.170) 4.213 8.055 ( 2.211 2.490 -1.302) 3.576 8.491 ( -6.288 2.530 2.950) 7.392 8.682 ( 0.237 0.436 2.628) 2.674 8.832 ( -0.121 2.449 0.691) 2.547 9.027 ( 2.319 0.397 -5.182) 5.691 9.402 ( -0.505 3.957 4.604) 6.092 9.531 ( -5.889 1.764 7.184) 9.455 9.828 ( 3.197 -4.475 -10.120) 11.517 10.064 ( -0.175 0.962 -5.803) 5.885 11.168 ( -7.047 0.791 12.087) 14.013 11.653 ( -4.838 -0.102 4.426) 6.558 11.835 ( 0.736 -0.138 -8.395) 8.428 12.301 ( 6.064 1.247 -4.017) 7.380 12.579 ( -1.478 0.563 3.359) 3.713 13.108 ( 5.512 0.788 -8.047) 9.785 13.462 ( -4.245 -2.049 -0.462) 4.736 13.700 ( 2.456 -0.930 0.348) 2.649 15.114 ( -2.397 2.061 3.112) 4.436 15.170 ( -0.502 2.020 -0.219) 2.093 16.240 ( -4.283 -1.979 -2.248) 5.226 16.481 ( 3.087 -6.834 -0.956) 7.560 17.129 ( -4.077 0.713 8.914) 9.828 17.558 ( 2.094 0.923 0.216) 2.298 17.832 ( -3.720 0.494 2.671) 4.606 18.157 ( 0.631 1.065 -4.199) 4.377 18.406 ( 3.910 3.071 0.884) 5.050 18.553 ( 2.043 0.752 -3.163) 3.840 22.062 ( -2.195 -1.034 -1.470) 2.837 22.271 ( 2.839 -2.240 0.956) 3.741 26.589 ( -0.002 1.144 0.176) 1.157 26.702 ( 2.168 -1.402 -2.596) 3.661 28.111 ( -2.475 0.413 -0.935) 2.678 28.294 ( 1.972 4.068 -1.856) 4.887 28.961 ( 0.294 -1.314 1.073) 1.722 29.195 ( 3.872 2.181 -3.489) 5.651 29.945 ( -5.272 5.110 4.239) 8.478 30.226 ( -4.911 7.099 2.339) 8.943 30.967 ( -17.785 -7.623 22.826) 29.924 32.397 ( 0.595 7.102 -3.260) 7.837 33.976 ( -1.416 1.191 -1.610) 2.453 34.268 ( 6.913 4.470 3.856) 9.091 34.595 ( -3.214 -1.419 -4.873) 6.008 35.144 ( 7.659 -8.460 -4.713) 12.346 ======================= Grid point 179 (83/160) ======================= q-point: ( 0.44 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 0.253 1.009 2.702) 2.896 1.564 ( 0.040 -1.507 -7.708) 7.854 1.800 ( 1.668 -0.816 -7.134) 7.371 2.305 ( 7.012 6.768 -3.538) 10.368 2.550 ( 1.230 3.006 -1.245) 3.478 2.750 ( 2.816 -8.571 -2.795) 9.445 3.136 ( -5.815 -1.021 16.781) 17.789 3.389 ( 2.148 1.541 2.549) 3.672 3.865 ( 4.625 -4.248 -4.046) 7.470 4.066 ( -5.982 0.340 -5.747) 8.302 4.090 ( 0.678 -0.572 -1.171) 1.469 4.358 ( -1.098 3.116 5.052) 6.036 4.432 ( -0.218 2.456 2.765) 3.704 4.486 ( 1.927 -0.816 -8.792) 9.038 4.650 ( -1.797 1.952 9.249) 9.622 4.866 ( 4.282 -2.995 4.583) 6.950 5.013 ( 3.168 -2.616 -4.227) 5.895 5.396 ( 1.912 -3.378 5.122) 6.427 5.613 ( -1.167 2.060 -3.198) 3.979 5.692 ( -3.187 0.859 -18.242) 18.538 5.819 ( -0.034 4.290 0.098) 4.292 5.927 ( -5.687 0.802 0.689) 5.785 6.078 ( 1.574 5.188 -6.445) 8.422 6.434 ( 1.656 -2.879 -1.827) 3.791 6.627 ( 3.783 -11.012 8.538) 14.438 6.737 ( 0.870 3.931 1.933) 4.466 6.919 ( 1.748 2.135 6.147) 6.738 7.037 ( 6.185 -0.423 -1.261) 6.326 7.918 ( -0.493 1.229 -1.147) 1.752 8.017 ( 2.475 3.285 -3.492) 5.395 8.445 ( -4.454 -0.935 3.874) 5.977 8.685 ( -0.650 0.003 1.805) 1.919 8.824 ( -0.023 -1.856 -2.875) 3.422 9.030 ( 2.682 0.325 -3.949) 4.785 9.327 ( -2.571 3.824 5.700) 7.330 9.492 ( -4.405 0.839 7.369) 8.626 9.905 ( 4.567 -3.872 -9.905) 11.574 9.989 ( 1.140 5.299 -6.024) 8.103 11.145 ( -7.016 0.117 11.978) 13.882 11.640 ( -4.218 -0.859 4.629) 6.321 11.821 ( 2.001 -0.335 -8.515) 8.753 12.282 ( 4.282 3.219 -5.378) 7.591 12.583 ( -1.006 -0.770 4.343) 4.524 13.094 ( 4.266 1.535 -8.368) 9.517 13.473 ( -2.825 -1.977 0.018) 3.448 13.728 ( 1.539 -0.180 0.529) 1.637 15.085 ( -1.617 0.503 2.317) 2.870 15.126 ( -0.146 2.122 -0.509) 2.187 16.259 ( -2.675 -3.365 -0.404) 4.317 16.620 ( 2.372 -5.582 -2.966) 6.752 17.135 ( -4.263 -1.252 12.125) 12.913 17.539 ( 0.317 1.612 1.353) 2.129 17.782 ( -2.812 3.511 2.712) 5.253 18.128 ( 1.402 0.913 -6.051) 6.278 18.382 ( 3.295 2.726 1.086) 4.413 18.534 ( 0.364 1.135 -2.452) 2.726 22.069 ( -1.657 -1.702 -0.753) 2.492 22.325 ( 1.598 -1.300 1.224) 2.396 26.564 ( -0.752 1.271 0.603) 1.595 26.736 ( 1.896 -1.380 -2.423) 3.372 28.085 ( -1.354 0.350 -1.486) 2.040 28.242 ( 1.718 2.243 -1.658) 3.276 28.992 ( 0.089 -1.807 -0.694) 1.938 29.165 ( 4.065 2.734 -4.438) 6.610 29.869 ( -1.897 1.424 2.099) 3.168 30.078 ( -3.589 5.657 1.530) 6.872 31.066 ( -11.797 -6.454 21.777) 25.594 32.255 ( -0.052 6.277 -4.452) 7.696 33.933 ( -1.243 1.645 -0.964) 2.276 34.276 ( 4.924 1.275 4.976) 7.116 34.565 ( -2.761 0.349 -4.899) 5.635 35.300 ( 4.585 -4.816 -3.558) 7.542 ======================= Grid point 180 (84/160) ======================= q-point: (-0.44 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -0.899 5.072 1.381) 5.333 1.641 ( 4.235 -3.382 -7.917) 9.594 1.821 ( 0.845 -4.042 0.393) 4.148 2.165 ( 4.311 8.903 -7.492) 12.409 2.445 ( -6.728 2.291 -7.723) 10.496 2.904 ( 4.434 -2.101 8.785) 10.063 3.281 ( 0.937 -7.235 13.388) 15.247 3.370 ( -1.417 1.196 7.457) 7.684 3.860 ( -7.381 2.471 -4.218) 8.853 3.976 ( -2.677 -0.166 -4.869) 5.559 4.145 ( 3.543 5.277 0.855) 6.413 4.316 ( 3.590 -3.166 -3.425) 5.886 4.402 ( 2.326 1.444 -3.117) 4.148 4.480 ( 0.775 -1.438 -5.393) 5.635 4.649 ( -4.808 -0.120 12.004) 12.932 4.912 ( -2.227 4.583 2.836) 5.832 5.060 ( 9.366 -0.450 2.855) 9.802 5.432 ( -2.795 4.959 -7.520) 9.432 5.561 ( -3.903 -5.305 -2.955) 7.219 5.630 ( 2.579 2.526 3.236) 4.848 5.776 ( 1.287 -0.838 -3.629) 3.941 5.870 ( -4.376 1.349 -8.189) 9.383 6.006 ( 0.961 -1.376 -6.917) 7.118 6.474 ( 3.928 0.691 2.402) 4.655 6.660 ( -2.779 1.843 -0.440) 3.363 6.750 ( -0.757 1.554 -3.593) 3.987 7.034 ( 6.871 -6.438 13.813) 16.717 7.102 ( 3.557 -2.923 -0.751) 4.665 7.900 ( -2.498 -0.017 -0.389) 2.528 7.935 ( 1.781 5.181 -6.261) 8.320 8.484 ( -3.445 -4.527 5.660) 8.025 8.698 ( -0.020 -1.825 0.069) 1.827 8.839 ( 0.242 -0.164 -5.108) 5.116 9.010 ( 3.175 3.735 -1.867) 5.246 9.300 ( -3.414 -1.351 6.997) 7.902 9.475 ( -3.635 0.184 7.446) 8.288 9.859 ( 1.225 6.575 -5.443) 8.623 9.969 ( 4.794 -2.514 -10.346) 11.676 11.138 ( -6.122 -0.307 12.755) 14.151 11.658 ( -2.228 -2.244 3.559) 4.761 11.825 ( 3.097 -0.992 -7.994) 8.630 12.222 ( 2.905 3.739 -5.857) 7.531 12.614 ( -1.108 -1.590 4.406) 4.814 13.067 ( 3.611 1.321 -8.922) 9.715 13.492 ( -1.211 -1.523 0.659) 2.054 13.730 ( 0.362 0.984 0.620) 1.218 15.070 ( -0.908 1.215 1.125) 1.889 15.101 ( -0.029 -0.128 0.277) 0.306 16.317 ( -1.144 -4.019 0.903) 4.275 16.678 ( 1.481 0.022 -4.587) 4.820 17.195 ( -3.240 -3.328 14.637) 15.356 17.535 ( -1.038 -1.170 1.906) 2.466 17.675 ( -3.654 6.031 2.460) 7.468 18.106 ( 2.536 0.656 -7.223) 7.683 18.363 ( 2.229 1.944 1.155) 3.175 18.508 ( -0.465 0.633 -1.744) 1.913 22.093 ( -0.372 -1.695 -0.253) 1.753 22.349 ( 0.122 -0.108 1.128) 1.140 26.537 ( -0.772 1.228 1.204) 1.885 26.765 ( 1.422 -1.156 -2.657) 3.228 28.071 ( 0.014 -0.039 -1.711) 1.711 28.220 ( 1.266 0.948 -1.631) 2.272 29.027 ( -0.184 -2.262 -1.599) 2.776 29.128 ( 3.901 2.601 -5.624) 7.322 29.868 ( 0.725 -1.251 0.134) 1.452 29.977 ( -2.556 3.004 1.505) 4.221 31.159 ( -9.731 -4.325 21.895) 24.348 32.148 ( 0.677 3.569 -4.389) 5.697 33.900 ( -0.426 0.701 -0.323) 0.882 34.315 ( 0.115 -1.564 3.036) 3.417 34.519 ( 1.362 2.294 -2.128) 3.412 35.374 ( 1.841 -1.968 -4.251) 5.033 ======================= Grid point 181 (85/160) ======================= q-point: (-0.33 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 1.927 3.333 0.598) 3.896 1.590 ( 3.336 8.693 -0.393) 9.319 1.934 ( 3.333 -3.075 -3.848) 5.947 2.036 ( 4.719 6.533 -6.502) 10.355 2.351 ( -11.237 -1.799 -4.668) 12.300 2.961 ( 4.690 2.034 4.791) 7.007 3.308 ( -1.325 3.027 8.966) 9.556 3.413 ( -4.667 1.246 9.820) 10.943 3.799 ( -7.996 -5.344 -3.673) 10.295 3.946 ( 2.424 1.944 -0.495) 3.147 4.080 ( -1.171 -0.971 -1.632) 2.231 4.299 ( 2.652 4.635 1.053) 5.443 4.453 ( 6.105 -0.003 -3.113) 6.853 4.591 ( 4.171 -9.877 -8.675) 13.792 4.634 ( -3.796 2.343 12.864) 13.615 4.741 ( -4.909 8.733 1.807) 10.180 5.106 ( 0.984 8.535 2.801) 9.037 5.266 ( -0.981 -0.769 -1.056) 1.634 5.571 ( 0.162 3.603 0.269) 3.616 5.687 ( 0.690 -4.336 -1.777) 4.737 5.781 ( 4.634 0.931 -7.895) 9.201 5.869 ( 2.615 -5.405 -3.076) 6.746 6.073 ( -2.313 -6.265 -6.824) 9.548 6.499 ( 4.263 1.187 5.782) 7.281 6.617 ( -3.130 -0.147 0.670) 3.204 6.683 ( -2.941 0.902 -8.739) 9.264 7.130 ( -3.447 -2.964 -1.061) 4.669 7.256 ( 5.863 -3.910 5.684) 9.053 7.785 ( -2.838 5.765 -4.689) 7.955 7.907 ( 1.838 0.285 -0.602) 1.955 8.567 ( -3.723 -3.625 6.529) 8.344 8.752 ( -0.332 -1.680 -2.178) 2.770 8.816 ( 2.576 -1.522 -3.920) 4.931 8.939 ( 3.163 5.091 -0.896) 6.060 9.303 ( -3.164 2.314 6.845) 7.888 9.487 ( -3.983 -0.927 7.722) 8.738 9.789 ( 2.682 -1.265 -4.387) 5.295 9.999 ( 3.968 -0.761 -10.834) 11.562 11.144 ( -4.974 -0.194 13.483) 14.372 11.705 ( -0.722 -2.312 3.143) 3.968 11.851 ( 3.644 -1.845 -8.234) 9.191 12.163 ( 2.628 2.455 -5.728) 6.763 12.647 ( -2.208 -1.655 3.829) 4.720 13.047 ( 3.863 0.542 -9.440) 10.214 13.516 ( 0.415 -0.996 1.238) 1.642 13.702 ( -0.687 1.978 0.730) 2.217 15.046 ( -0.220 1.095 1.655) 1.997 15.120 ( -0.178 -1.536 0.285) 1.572 16.385 ( -0.470 -3.115 0.966) 3.295 16.621 ( 1.263 4.950 -4.221) 6.627 17.294 ( -2.282 -3.787 15.686) 16.297 17.515 ( -5.264 5.433 1.758) 7.767 17.593 ( -1.382 -3.150 0.937) 3.565 18.099 ( 3.562 0.154 -6.098) 7.063 18.349 ( 1.077 1.456 1.424) 2.303 18.499 ( -0.535 -0.792 -1.696) 1.947 22.121 ( 1.299 -0.938 -0.072) 1.604 22.338 ( -1.574 1.066 0.459) 1.955 26.519 ( -0.268 0.812 1.869) 2.055 26.778 ( 0.846 -0.310 -3.178) 3.303 28.078 ( 1.333 -0.794 -1.323) 2.039 28.209 ( 0.365 0.462 -1.213) 1.348 29.054 ( 0.200 -0.303 -1.682) 1.721 29.100 ( 2.747 -0.023 -6.684) 7.226 29.921 ( 1.419 -2.762 -0.868) 3.224 29.943 ( -1.206 -1.223 2.500) 3.033 31.224 ( -10.121 -3.019 22.773) 25.102 32.108 ( 2.746 0.479 -4.294) 5.120 33.900 ( 0.628 -0.571 0.356) 0.920 34.332 ( -8.237 -3.117 -3.740) 9.568 34.510 ( 9.520 3.161 5.204) 11.300 35.373 ( -0.614 0.778 -6.583) 6.658 ======================= Grid point 182 (86/160) ======================= q-point: (-0.22 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 5.139 4.014 1.514) 6.694 1.443 ( 7.358 11.512 12.141) 18.278 1.887 ( 0.493 8.338 -4.280) 9.386 1.944 ( 2.463 2.328 -7.328) 8.074 2.266 ( -9.773 1.651 -6.029) 11.601 2.952 ( 7.904 3.969 -0.173) 8.846 3.259 ( -4.563 3.936 11.798) 13.248 3.381 ( -3.986 -0.590 5.920) 7.161 3.828 ( -4.588 -4.170 -5.007) 7.969 3.977 ( 4.999 -0.597 3.889) 6.361 4.131 ( -3.207 -4.693 1.133) 5.796 4.262 ( 2.700 1.752 1.061) 3.389 4.426 ( 3.338 5.455 -4.588) 7.870 4.587 ( -7.047 1.017 16.228) 17.721 4.653 ( 5.310 1.548 3.081) 6.331 4.757 ( 4.650 -6.226 -9.712) 12.438 4.871 ( -8.886 8.210 -1.219) 12.159 5.366 ( 3.595 -1.796 5.029) 6.437 5.506 ( -0.314 1.940 -0.814) 2.127 5.703 ( 6.238 2.331 -4.782) 8.198 5.848 ( 0.556 -4.964 -7.707) 9.184 5.959 ( 1.279 -3.437 0.828) 3.759 6.131 ( 2.517 -2.607 -5.257) 6.385 6.505 ( -2.252 1.091 4.461) 5.115 6.617 ( -2.672 -0.799 -12.119) 12.435 6.664 ( -1.940 -4.585 2.863) 5.744 7.127 ( -5.522 -0.895 -5.300) 7.706 7.258 ( -5.363 3.581 -6.990) 9.510 7.728 ( 3.645 -0.469 6.751) 7.686 7.925 ( 3.156 -0.735 -2.092) 3.857 8.587 ( -3.437 -0.748 3.819) 5.192 8.706 ( -1.384 2.545 -0.550) 2.949 8.845 ( 2.234 4.377 -0.154) 4.917 8.979 ( 3.439 -7.964 -5.174) 10.100 9.239 ( -1.578 3.207 7.826) 8.603 9.491 ( -4.359 -0.964 9.389) 10.396 9.904 ( 5.143 -6.845 -2.847) 9.023 9.986 ( 2.672 0.822 -11.675) 12.005 11.158 ( -4.368 -0.218 13.838) 14.513 11.741 ( -1.653 -0.967 4.623) 5.004 11.889 ( 3.803 -2.032 -9.831) 10.735 12.136 ( 3.751 1.129 -4.988) 6.343 12.663 ( -3.983 -1.330 2.776) 5.034 13.047 ( 4.713 -0.414 -9.842) 10.920 13.542 ( 1.819 -0.291 1.665) 2.483 13.654 ( -1.301 2.476 0.760) 2.898 15.045 ( 0.324 -0.426 3.102) 3.148 15.151 ( -0.316 -1.890 0.136) 1.921 16.417 ( 0.336 0.099 -0.899) 0.965 16.508 ( 0.241 5.871 -2.337) 6.324 17.345 ( -9.826 1.791 8.126) 12.876 17.432 ( 2.620 -0.703 6.621) 7.155 17.672 ( -0.600 -5.268 1.592) 5.536 18.113 ( 3.602 -0.399 -3.928) 5.344 18.332 ( 0.315 1.509 2.194) 2.682 18.514 ( -0.074 -1.532 -2.603) 3.022 22.143 ( 2.774 0.406 -0.207) 2.811 22.289 ( -3.379 2.042 -0.674) 4.005 26.517 ( 0.483 0.212 2.262) 2.322 26.766 ( 0.234 0.895 -3.616) 3.732 28.116 ( 2.613 -2.113 -0.221) 3.368 28.200 ( -0.667 0.126 -0.586) 0.897 29.021 ( 0.758 2.532 -2.906) 3.928 29.131 ( 0.941 -2.824 -5.052) 5.864 29.962 ( -3.195 -3.898 3.834) 6.332 30.047 ( 3.724 -6.355 -0.485) 7.381 31.279 ( -13.443 -4.413 24.405) 28.210 32.146 ( 6.192 -2.527 -4.637) 8.138 33.930 ( 2.227 -1.115 1.292) 2.806 34.288 ( -9.921 -1.641 -5.776) 11.596 34.567 ( 10.280 1.607 6.921) 12.497 35.284 ( -2.212 5.060 -10.107) 11.517 ======================= Grid point 183 (87/160) ======================= q-point: (-0.11 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 6.823 10.294 8.584) 15.040 1.378 ( 9.038 9.437 21.484) 25.146 1.760 ( 4.183 5.544 -0.909) 7.004 1.869 ( -1.897 1.926 1.079) 2.911 2.173 ( 2.338 -0.755 -10.858) 11.132 2.890 ( 7.467 10.642 -2.318) 13.205 3.212 ( -2.477 -0.455 9.179) 9.519 3.358 ( -7.066 2.747 4.767) 8.955 3.881 ( 0.830 -4.161 -4.279) 6.026 4.056 ( 6.527 -1.488 6.694) 9.467 4.149 ( -0.112 1.880 1.300) 2.288 4.278 ( 0.761 -1.135 2.800) 3.116 4.378 ( -0.931 -0.219 5.073) 5.162 4.571 ( -7.924 2.482 9.147) 12.354 4.637 ( -1.131 -0.448 -0.500) 1.315 4.798 ( 3.770 -1.399 0.199) 4.026 4.858 ( -0.189 -5.616 -2.843) 6.298 5.281 ( -7.492 6.280 -3.947) 10.543 5.538 ( 7.161 0.737 -5.677) 9.168 5.705 ( 5.841 1.414 6.278) 8.691 5.854 ( 4.016 0.754 -10.230) 11.016 6.055 ( 0.878 -4.080 -6.257) 7.521 6.184 ( 1.943 -2.876 -1.634) 3.836 6.476 ( -4.396 0.329 4.626) 6.390 6.579 ( -3.240 -1.896 -12.718) 13.260 6.707 ( -2.894 0.241 -1.456) 3.249 6.997 ( -6.946 5.608 -10.368) 13.682 7.140 ( -6.266 0.297 -5.591) 8.403 7.851 ( 5.235 -4.380 9.666) 11.833 7.967 ( 4.204 -1.381 -2.746) 5.207 8.618 ( -3.244 -3.290 5.043) 6.840 8.658 ( -1.548 0.273 1.422) 2.119 8.784 ( 2.226 3.210 1.316) 4.122 9.072 ( -1.588 -3.891 -7.384) 8.496 9.277 ( 3.721 -2.700 7.400) 8.712 9.532 ( -2.988 -2.509 10.872) 11.551 9.929 ( 0.747 2.143 -10.692) 10.930 10.061 ( 5.085 -5.962 -4.468) 9.020 11.177 ( -4.843 -0.659 14.306) 15.118 11.748 ( -4.128 -0.366 6.000) 7.292 11.908 ( 2.928 -0.622 -10.343) 10.768 12.141 ( 5.850 0.734 -4.037) 7.145 12.652 ( -5.092 -0.463 1.772) 5.411 13.062 ( 4.958 -0.475 -10.085) 11.248 13.562 ( 1.098 0.381 1.949) 2.269 13.603 ( 0.091 2.134 0.291) 2.155 15.095 ( 0.805 -3.236 4.103) 5.288 15.184 ( -0.506 -1.777 0.336) 1.878 16.362 ( 4.181 6.197 -1.821) 7.695 16.424 ( -4.180 0.952 -2.084) 4.767 17.247 ( -9.454 1.787 5.966) 11.321 17.487 ( 2.520 0.375 1.301) 2.860 17.797 ( 1.088 -6.044 6.122) 8.671 18.142 ( 3.544 -1.105 -2.658) 4.566 18.318 ( 0.730 0.926 3.081) 3.299 18.527 ( 0.757 -0.533 -3.852) 3.962 22.142 ( 3.415 2.157 -0.319) 4.052 22.213 ( -4.306 2.118 -1.629) 5.068 26.532 ( 1.453 -0.351 2.070) 2.553 26.728 ( -0.145 1.719 -3.699) 4.081 28.185 ( 0.670 -0.640 0.038) 0.928 28.206 ( 1.820 -3.555 0.467) 4.021 28.967 ( -0.562 2.449 -0.857) 2.654 29.171 ( 0.945 -2.176 -4.574) 5.152 30.052 ( -4.817 -7.082 5.294) 10.069 30.214 ( 3.876 -7.892 0.062) 8.793 31.357 ( -23.327 -10.028 25.388) 35.906 32.261 ( 9.592 -4.548 -4.808) 11.653 33.989 ( 5.396 -1.767 2.447) 6.183 34.214 ( -8.965 -0.219 -4.544) 10.053 34.628 ( 6.843 1.256 3.881) 7.967 35.070 ( -0.581 12.651 -12.822) 18.022 ======================= Grid point 186 (88/160) ======================= q-point: ( 0.22 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 11.578 0.000 12.383) 16.953 1.547 ( 6.293 0.000 7.941) 10.132 1.720 ( 11.251 0.000 -5.056) 12.335 2.214 ( 11.062 0.000 -13.557) 17.498 2.385 ( -4.616 -0.000 -9.821) 10.852 2.813 ( 4.098 0.000 5.200) 6.621 3.069 ( -4.266 -0.000 9.792) 10.681 3.548 ( -0.833 -0.000 1.532) 1.744 3.903 ( -7.978 -0.000 -3.317) 8.640 4.018 ( 0.801 0.000 -2.914) 3.023 4.151 ( -1.095 -0.000 4.914) 5.034 4.295 ( -5.739 -0.000 7.211) 9.216 4.336 ( -4.953 -0.000 -6.361) 8.062 4.410 ( -1.285 -0.000 2.637) 2.934 4.710 ( 1.094 0.000 -4.408) 4.542 4.848 ( 5.215 0.000 6.620) 8.427 4.986 ( -0.934 -0.000 7.628) 7.685 5.325 ( 11.182 0.000 3.566) 11.737 5.426 ( 6.099 0.000 -4.073) 7.334 5.765 ( -7.486 -0.000 2.195) 7.801 5.891 ( 5.227 0.000 -20.155) 20.821 6.093 ( -4.856 -0.000 -7.603) 9.021 6.164 ( -3.327 -0.000 -4.770) 5.815 6.206 ( 9.547 0.000 4.189) 10.426 6.472 ( 3.049 0.000 -2.888) 4.199 6.761 ( 8.519 0.000 5.307) 10.037 6.911 ( -0.435 -0.000 -6.871) 6.885 6.969 ( 5.370 0.000 7.345) 9.099 8.059 ( 1.891 0.000 4.002) 4.427 8.163 ( -0.792 -0.000 -0.000) 0.792 8.583 ( -8.499 -0.000 3.851) 9.331 8.737 ( 2.323 0.000 0.956) 2.512 8.833 ( 2.953 0.000 -0.415) 2.982 9.199 ( -3.146 -0.000 -5.894) 6.681 9.465 ( -5.122 -0.000 9.798) 11.056 9.584 ( -3.026 -0.000 5.629) 6.391 9.687 ( 0.428 0.000 -10.984) 10.993 9.991 ( -3.671 -0.000 -6.628) 7.576 11.194 ( -7.074 -0.000 13.037) 14.833 11.660 ( -2.151 -0.000 1.422) 2.578 11.825 ( -0.332 -0.000 -6.712) 6.720 12.313 ( 5.679 0.000 -3.069) 6.455 12.603 ( -0.420 -0.000 2.784) 2.815 13.113 ( 6.992 0.000 -7.174) 10.018 13.416 ( -4.815 -0.000 -0.455) 4.837 13.672 ( 2.330 0.000 -0.383) 2.361 15.187 ( -5.214 -0.000 3.513) 6.286 15.208 ( -0.621 -0.000 0.117) 0.632 16.205 ( -4.647 -0.000 -3.603) 5.880 16.332 ( 2.280 0.000 0.261) 2.295 17.181 ( -0.223 -0.000 4.708) 4.714 17.530 ( 5.593 0.000 2.192) 6.007 17.807 ( -7.468 -0.000 1.062) 7.543 18.178 ( -0.508 -0.000 -3.469) 3.506 18.487 ( 2.343 0.000 -2.793) 3.645 18.568 ( 5.202 0.000 -2.122) 5.618 22.060 ( -0.551 -0.000 -3.488) 3.531 22.201 ( 3.051 0.000 1.480) 3.391 26.624 ( -0.162 -0.000 -2.451) 2.456 26.664 ( 4.014 0.000 -0.984) 4.133 28.120 ( -3.011 -0.000 -0.222) 3.019 28.407 ( 1.796 0.000 -6.238) 6.491 28.945 ( 0.399 0.000 6.041) 6.054 29.239 ( 4.011 0.000 -2.108) 4.531 30.153 ( -5.387 -0.000 2.088) 5.778 30.387 ( -14.219 -0.000 5.721) 15.327 30.725 ( -25.690 -0.000 26.944) 37.229 32.547 ( -1.508 -0.000 0.120) 1.513 34.025 ( 3.464 0.000 -0.829) 3.562 34.503 ( 1.273 0.000 2.092) 2.449 34.504 ( 3.273 0.000 -5.107) 6.066 34.837 ( 12.380 0.000 -7.075) 14.259 ======================= Grid point 187 (89/160) ======================= q-point: ( 0.33 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -0.666 3.058 0.921) 3.262 1.588 ( 4.680 0.793 3.311) 5.787 1.834 ( 15.370 2.113 -4.839) 16.252 2.313 ( 10.363 -5.172 -2.927) 11.946 2.389 ( 0.022 -6.421 -6.388) 9.058 2.739 ( -4.491 4.573 -12.495) 14.043 3.133 ( -2.767 -3.061 15.281) 15.829 3.449 ( -2.950 4.505 -3.053) 6.190 3.801 ( -6.361 1.247 -3.937) 7.584 3.993 ( -1.804 1.568 -0.972) 2.580 4.231 ( -5.056 2.783 -4.450) 7.288 4.264 ( -6.741 -5.010 0.048) 8.399 4.332 ( 3.535 -6.954 2.933) 8.334 4.449 ( 3.938 -1.062 3.976) 5.696 4.695 ( 1.194 1.109 0.537) 1.716 4.880 ( 2.515 2.119 2.440) 4.095 5.002 ( -0.581 0.563 6.742) 6.790 5.398 ( 7.302 1.491 4.697) 8.810 5.511 ( 5.179 -3.601 -1.126) 6.407 5.696 ( -9.199 -0.459 -5.683) 10.822 5.891 ( 7.205 -1.437 -16.262) 17.845 6.020 ( 0.498 3.512 1.699) 3.933 6.147 ( -4.738 -3.824 -5.680) 8.327 6.355 ( 9.870 -3.099 8.854) 13.616 6.409 ( 3.048 6.467 -1.269) 7.261 6.833 ( 4.783 -0.109 1.011) 4.890 6.953 ( 2.860 -3.387 -2.146) 4.925 7.025 ( 5.292 0.990 8.905) 10.406 8.066 ( 1.725 3.353 1.501) 4.058 8.104 ( -0.841 2.936 -2.147) 3.733 8.504 ( -7.020 2.709 4.516) 8.776 8.721 ( 1.208 2.360 1.039) 2.848 8.882 ( 1.755 -0.202 -0.276) 1.788 9.056 ( -2.999 5.257 -4.051) 7.283 9.464 ( -5.241 0.224 4.958) 7.218 9.523 ( -4.618 2.632 4.036) 6.674 9.737 ( 3.730 -4.780 -8.301) 10.279 9.995 ( -1.975 -3.866 -7.057) 8.285 11.170 ( -7.632 0.920 12.334) 14.533 11.642 ( -2.096 0.673 1.689) 2.775 11.805 ( -0.094 -0.450 -7.272) 7.286 12.336 ( 3.819 0.020 -4.803) 6.136 12.601 ( -0.262 1.040 3.677) 3.830 13.140 ( 6.300 0.515 -6.935) 9.383 13.397 ( -3.444 -1.482 0.030) 3.749 13.697 ( 1.896 -0.971 -0.442) 2.176 15.139 ( -4.427 1.820 3.575) 5.974 15.195 ( -0.550 1.039 -0.134) 1.184 16.174 ( -3.299 -1.090 -2.211) 4.118 16.387 ( 1.400 -4.379 -0.505) 4.625 17.171 ( -0.396 2.377 6.780) 7.195 17.590 ( 4.113 -0.214 1.320) 4.325 17.775 ( -6.288 -2.155 0.820) 6.697 18.157 ( -0.362 0.520 -4.268) 4.315 18.486 ( 3.647 1.419 -1.418) 4.162 18.578 ( 2.363 1.327 -2.232) 3.511 22.042 ( -0.075 0.324 -2.469) 2.491 22.247 ( 1.801 -2.149 0.458) 2.841 26.608 ( 0.277 0.853 -1.308) 1.586 26.696 ( 3.121 -0.612 -1.635) 3.576 28.096 ( -2.405 0.161 -0.440) 2.450 28.363 ( 0.501 2.982 -5.118) 5.945 28.966 ( 0.629 0.231 4.936) 4.982 29.252 ( 4.420 1.460 -2.017) 5.073 30.028 ( -6.871 6.767 4.844) 10.792 30.272 ( -13.032 2.265 5.934) 14.498 30.755 ( -13.809 -7.992 22.426) 27.522 32.480 ( -4.378 3.897 -2.792) 6.492 34.024 ( 3.874 3.102 0.356) 4.976 34.425 ( 4.609 5.964 2.120) 7.830 34.543 ( 0.119 -1.399 -4.860) 5.059 35.010 ( 7.956 -9.266 -5.789) 13.516 ======================= Grid point 188 (90/160) ======================= q-point: ( 0.44 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -0.468 1.963 -0.795) 2.169 1.571 ( 0.941 2.177 -5.056) 5.585 1.830 ( 6.687 3.866 -4.280) 8.831 2.438 ( 5.730 2.777 -3.822) 7.426 2.503 ( -3.810 -5.889 -17.971) 19.291 2.645 ( 6.630 -3.874 2.904) 8.210 3.175 ( -6.742 1.936 21.486) 22.602 3.413 ( 1.723 -2.062 -3.429) 4.356 3.788 ( 1.826 -4.575 -6.168) 7.893 3.976 ( -2.793 -2.115 -5.746) 6.730 4.096 ( -6.306 3.661 -2.032) 7.569 4.301 ( -8.426 -4.959 2.106) 10.001 4.472 ( 3.925 -0.002 -2.180) 4.490 4.502 ( 2.820 -0.854 4.055) 5.012 4.711 ( 0.684 0.567 5.418) 5.491 4.850 ( 2.084 0.317 -0.594) 2.190 5.008 ( 3.086 0.362 2.875) 4.233 5.415 ( 0.910 1.007 4.845) 5.031 5.581 ( 1.792 -1.601 -8.551) 8.882 5.632 ( -5.277 -1.246 -6.226) 8.256 5.855 ( 3.781 5.395 -9.327) 11.419 5.979 ( 0.219 3.083 0.700) 3.169 6.152 ( -1.777 1.816 -6.341) 6.832 6.349 ( 1.186 -1.768 1.936) 2.878 6.569 ( 11.452 -6.680 15.278) 20.229 6.829 ( 1.115 3.240 -0.900) 3.542 6.988 ( 1.612 1.474 5.678) 6.083 7.084 ( 5.427 0.242 4.001) 6.747 7.959 ( -1.713 4.644 -2.775) 5.675 8.080 ( 3.696 2.027 -3.857) 5.714 8.433 ( -4.809 1.438 5.873) 7.725 8.692 ( -0.647 1.329 0.669) 1.623 8.824 ( -1.152 2.966 -0.577) 3.234 9.027 ( 2.408 -0.996 -4.531) 5.227 9.400 ( -4.472 3.545 3.255) 6.570 9.482 ( -4.525 -0.064 5.721) 7.294 9.831 ( 4.866 -4.463 -8.501) 10.764 10.012 ( -0.555 -0.740 -7.630) 7.686 11.134 ( -7.809 0.659 11.915) 14.261 11.621 ( -2.910 0.244 3.956) 4.917 11.794 ( 1.175 -0.770 -7.953) 8.076 12.332 ( 2.386 1.148 -6.888) 7.379 12.593 ( -0.328 0.783 4.727) 4.803 13.134 ( 4.447 1.894 -7.333) 8.783 13.419 ( -1.177 -2.306 0.996) 2.774 13.727 ( 1.151 -0.961 -0.397) 1.551 15.091 ( -3.193 1.106 3.063) 4.561 15.162 ( -0.040 1.899 -0.509) 1.966 16.186 ( -1.387 -2.585 -0.183) 2.939 16.502 ( 0.770 -6.888 -1.757) 7.150 17.152 ( -1.488 1.492 10.467) 10.677 17.589 ( 1.233 2.302 0.972) 2.787 17.779 ( -4.149 -1.144 0.286) 4.313 18.127 ( -0.130 0.702 -5.687) 5.732 18.479 ( 4.922 2.904 0.086) 5.716 18.549 ( -0.183 1.422 -2.279) 2.692 22.038 ( 0.078 -0.616 -0.874) 1.073 22.299 ( 0.295 -2.303 -0.221) 2.333 26.588 ( 0.238 1.278 -0.095) 1.303 26.722 ( 1.998 -0.753 -2.084) 2.984 28.077 ( -1.116 0.176 -0.742) 1.351 28.292 ( 0.209 2.887 -3.664) 4.669 28.979 ( 0.336 -0.030 2.498) 2.520 29.237 ( 4.306 2.777 -2.840) 5.858 29.904 ( -3.625 3.431 4.266) 6.566 30.143 ( -7.737 4.412 3.163) 9.452 30.903 ( -10.360 -8.918 21.802) 25.733 32.340 ( -3.761 5.540 -5.551) 8.698 33.981 ( 2.062 3.640 0.682) 4.239 34.356 ( 0.548 4.280 1.852) 4.695 34.564 ( 4.195 -0.522 -3.002) 5.185 35.200 ( 3.501 -7.496 -4.471) 9.404 ======================= Grid point 189 (91/160) ======================= q-point: ( 0.56 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -1.793 1.160 2.000) 2.926 1.571 ( 6.235 -3.659 -3.941) 8.234 1.796 ( 2.352 1.179 -3.598) 4.458 2.314 ( 4.471 5.850 -19.468) 20.814 2.453 ( -4.596 4.594 -2.819) 7.083 2.878 ( 6.142 -9.000 5.565) 12.235 3.184 ( -5.971 -2.384 22.561) 23.459 3.433 ( 1.062 1.657 2.127) 2.898 3.843 ( -7.111 1.347 -8.117) 10.875 3.944 ( 2.749 -1.151 -5.726) 6.455 4.126 ( 2.443 -9.610 -2.385) 10.198 4.289 ( -6.742 3.623 1.317) 7.766 4.424 ( -0.845 1.297 -3.036) 3.407 4.531 ( 5.721 1.812 -0.886) 6.066 4.671 ( -4.386 2.003 9.174) 10.364 4.919 ( 1.273 -2.204 -2.848) 3.820 5.085 ( 6.337 -3.082 4.147) 8.177 5.438 ( -0.921 -2.752 3.406) 4.475 5.496 ( -4.618 4.256 -13.187) 14.606 5.647 ( 4.728 -0.861 -0.323) 4.817 5.761 ( -3.029 0.641 -7.250) 7.884 5.884 ( -1.193 6.637 3.022) 7.390 6.049 ( 2.304 4.555 -10.599) 11.764 6.427 ( 0.280 -3.931 -0.201) 3.946 6.734 ( -1.912 5.317 0.498) 5.672 6.813 ( 8.315 -1.190 9.961) 13.030 7.025 ( 3.760 -2.806 11.576) 12.490 7.108 ( 3.380 0.474 0.222) 3.420 7.877 ( -3.545 1.145 -3.488) 5.103 8.037 ( 4.731 4.447 -5.604) 8.577 8.424 ( -2.894 -1.418 6.764) 7.493 8.668 ( -2.287 -0.334 -0.074) 2.313 8.803 ( 0.223 -1.101 -3.625) 3.795 9.051 ( 3.160 -0.378 -2.570) 4.090 9.311 ( -4.367 2.871 4.788) 7.087 9.477 ( -3.445 0.052 6.878) 7.693 9.913 ( 3.700 -3.210 -7.980) 9.363 9.956 ( 1.726 3.696 -9.009) 9.889 11.116 ( -7.123 -0.724 12.319) 14.248 11.623 ( -2.201 -1.086 5.084) 5.645 11.800 ( 2.652 -1.123 -8.213) 8.703 12.282 ( 1.359 2.862 -7.639) 8.270 12.602 ( -0.783 -0.371 4.964) 5.039 13.098 ( 3.529 2.099 -8.132) 9.110 13.462 ( 0.548 -1.900 2.061) 2.856 13.740 ( -0.017 -0.026 -0.428) 0.429 15.070 ( -2.155 -0.001 2.091) 3.003 15.125 ( 0.455 1.922 -0.372) 2.010 16.246 ( 0.498 -3.682 1.731) 4.099 16.620 ( 0.489 -5.361 -3.267) 6.297 17.174 ( -2.170 -1.275 13.698) 13.927 17.551 ( 0.095 2.328 1.551) 2.799 17.730 ( -4.805 2.867 -0.145) 5.598 18.097 ( 0.509 0.141 -7.417) 7.436 18.446 ( 3.057 3.732 0.731) 4.879 18.520 ( 0.419 1.101 -1.702) 2.070 22.062 ( 0.758 -1.615 0.462) 1.843 22.330 ( -1.337 -1.475 -0.569) 2.070 26.565 ( 0.156 1.473 1.057) 1.819 26.742 ( 1.088 -1.080 -2.632) 3.046 28.068 ( 0.305 0.087 -0.878) 0.934 28.242 ( 0.310 1.483 -3.216) 3.555 28.993 ( 0.138 -0.877 0.187) 0.907 29.198 ( 3.870 3.354 -4.183) 6.612 29.865 ( -0.364 0.487 2.091) 2.177 30.023 ( -4.676 3.937 1.668) 6.336 31.054 ( -8.783 -6.878 22.007) 24.673 32.203 ( -1.793 4.292 -5.909) 7.520 33.935 ( 1.336 2.667 0.970) 3.137 34.287 ( -4.408 1.589 -1.155) 4.826 34.604 ( 8.287 1.175 1.795) 8.560 35.308 ( 0.240 -4.241 -4.987) 6.551 ======================= Grid point 190 (92/160) ======================= q-point: (-0.33 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -0.017 3.943 1.401) 4.184 1.707 ( 8.927 -1.724 -3.834) 9.867 1.845 ( 1.783 -5.907 -1.014) 6.253 2.187 ( 5.907 6.247 -13.490) 15.997 2.291 ( -6.781 6.023 1.487) 9.191 3.024 ( 3.488 -1.179 4.009) 5.443 3.303 ( -8.788 -6.690 12.102) 16.384 3.397 ( -4.039 2.607 10.813) 11.834 3.709 ( -4.507 2.252 -6.263) 8.038 3.977 ( 5.447 -0.293 -3.315) 6.383 4.121 ( -3.716 5.683 -4.313) 8.044 4.368 ( 1.057 -10.325 -3.036) 10.814 4.397 ( 2.675 0.358 0.622) 2.770 4.533 ( 7.876 2.399 -1.396) 8.351 4.666 ( -3.596 -0.513 11.379) 11.945 4.850 ( -4.539 6.511 -3.013) 8.490 5.177 ( -1.979 0.125 -5.162) 5.529 5.297 ( -0.080 5.192 -1.736) 5.475 5.580 ( 3.416 -7.274 2.782) 8.504 5.694 ( -2.129 0.157 1.812) 2.800 5.745 ( 0.376 -0.370 -2.105) 2.170 5.799 ( 3.164 -0.619 -1.810) 3.698 5.970 ( 2.683 1.005 -12.550) 12.872 6.481 ( -1.664 -2.727 -3.731) 4.912 6.635 ( -1.909 3.645 3.396) 5.335 6.790 ( 4.869 7.131 2.901) 9.109 7.068 ( -3.125 -0.067 -1.120) 3.320 7.247 ( 6.667 -4.684 6.527) 10.440 7.818 ( -3.951 1.352 -3.334) 5.344 7.966 ( 4.244 4.228 -2.348) 6.435 8.484 ( -2.480 -4.176 7.535) 8.964 8.682 ( -1.185 -2.828 -1.237) 3.306 8.807 ( 0.182 -0.361 -5.143) 5.159 9.045 ( 3.007 3.256 -2.928) 5.312 9.295 ( -3.496 -2.018 7.423) 8.449 9.471 ( -3.338 0.035 7.688) 8.382 9.837 ( 0.920 5.179 -5.686) 7.746 9.973 ( 4.917 -1.735 -10.843) 12.031 11.130 ( -6.087 -1.411 12.984) 14.409 11.664 ( -0.610 -2.502 4.400) 5.099 11.820 ( 3.211 -1.356 -8.177) 8.889 12.209 ( 1.294 2.919 -7.344) 8.008 12.620 ( -1.906 -0.821 4.467) 4.926 13.064 ( 3.752 1.380 -8.902) 9.758 13.510 ( 1.717 -1.329 2.849) 3.582 13.724 ( -1.116 1.045 -0.530) 1.618 15.064 ( -0.929 0.237 1.270) 1.592 15.104 ( 0.205 0.323 0.238) 0.451 16.330 ( 1.222 -3.419 2.666) 4.504 16.668 ( 1.187 -0.169 -4.206) 4.373 17.254 ( -2.750 -3.701 15.524) 16.194 17.523 ( -1.699 0.696 1.311) 2.256 17.611 ( -4.966 4.728 0.123) 6.858 18.086 ( 1.607 -0.868 -7.752) 7.965 18.404 ( 0.997 2.585 1.183) 3.013 18.500 ( 1.307 1.140 -1.273) 2.151 22.109 ( 2.025 -1.823 1.307) 3.022 22.327 ( -2.964 -0.205 -0.961) 3.123 26.545 ( 0.271 1.227 2.052) 2.406 26.759 ( 0.592 -0.976 -3.312) 3.503 28.074 ( 1.466 -0.350 -0.784) 1.698 28.215 ( -0.070 0.639 -2.781) 2.854 29.017 ( 0.322 -1.741 -1.377) 2.243 29.147 ( 3.345 3.197 -5.629) 7.287 29.887 ( 1.553 -1.753 0.071) 2.343 29.943 ( -3.082 1.868 1.635) 3.957 31.162 ( -8.977 -3.945 22.178) 24.249 32.124 ( 0.422 1.548 -4.909) 5.165 33.917 ( 2.197 0.959 1.391) 2.771 34.223 ( -7.264 -0.408 -3.831) 8.222 34.654 ( 9.426 2.110 6.092) 11.420 35.334 ( -1.647 -1.412 -7.098) 7.422 ======================= Grid point 191 (93/160) ======================= q-point: (-0.22 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 2.466 1.820 0.589) 3.121 1.738 ( 12.797 5.926 0.855) 14.129 1.925 ( -0.240 -1.509 -5.009) 5.237 2.054 ( -0.534 7.074 -7.176) 10.091 2.197 ( -2.335 1.135 3.287) 4.189 3.037 ( 2.448 1.560 -2.270) 3.684 3.310 ( -8.218 0.971 9.143) 12.332 3.357 ( -8.874 0.205 10.078) 13.430 3.691 ( 0.591 -2.832 -4.895) 5.686 4.021 ( 4.452 -0.568 3.849) 5.912 4.063 ( 1.872 -1.130 -4.162) 4.702 4.314 ( -3.218 2.902 1.475) 4.578 4.538 ( 5.976 1.366 0.354) 6.141 4.616 ( 4.150 -4.530 -0.125) 6.145 4.643 ( -7.039 6.552 -2.091) 9.841 4.710 ( 4.656 -2.398 5.173) 7.362 4.968 ( -8.168 8.719 -10.346) 15.804 5.385 ( 4.440 -6.291 7.504) 10.752 5.600 ( 1.283 9.507 7.153) 11.967 5.702 ( 0.105 -3.752 -3.212) 4.940 5.777 ( 5.000 -2.035 -9.982) 11.348 5.885 ( 0.962 -4.413 2.107) 4.983 6.023 ( 1.060 -7.390 -4.199) 8.565 6.470 ( -5.113 -1.168 -6.770) 8.564 6.600 ( -0.319 1.007 2.279) 2.512 6.712 ( 5.831 5.850 4.828) 9.567 7.038 ( -4.509 -1.447 -6.085) 7.711 7.267 ( -4.389 3.736 -7.945) 9.815 7.781 ( 3.179 0.956 4.211) 5.362 7.943 ( 2.337 0.920 0.176) 2.518 8.548 ( -3.711 -1.833 5.143) 6.602 8.717 ( -2.005 -0.472 -1.056) 2.314 8.827 ( 2.458 -4.414 -4.366) 6.677 8.980 ( 3.059 4.003 -2.600) 5.670 9.305 ( -3.067 1.970 7.931) 8.728 9.477 ( -3.864 -0.373 8.093) 8.976 9.814 ( 3.885 -3.828 -3.834) 6.667 9.983 ( 3.625 0.271 -11.213) 11.788 11.155 ( -5.336 -1.075 13.207) 14.285 11.718 ( -1.253 -1.793 4.429) 4.940 11.845 ( 3.231 -1.835 -9.248) 9.967 12.162 ( 2.764 1.003 -6.285) 6.939 12.627 ( -3.301 -0.536 3.637) 4.941 13.050 ( 4.592 0.274 -9.374) 10.442 13.555 ( 2.047 -0.764 3.186) 3.863 13.685 ( -1.483 1.780 -0.652) 2.407 15.058 ( 0.183 0.439 1.855) 1.915 15.116 ( -0.469 -1.424 0.113) 1.504 16.393 ( -0.311 -1.641 2.098) 2.682 16.624 ( 2.879 4.635 -4.189) 6.879 17.322 ( -8.607 -0.330 12.155) 14.897 17.470 ( -0.310 1.673 2.841) 3.311 17.583 ( -0.692 -3.567 2.425) 4.368 18.100 ( 2.315 -1.358 -6.460) 6.996 18.372 ( -0.216 1.681 1.712) 2.409 18.496 ( 1.725 -0.053 -1.721) 2.437 22.162 ( 3.225 -0.969 1.541) 3.703 22.286 ( -4.400 1.175 -1.453) 4.781 26.538 ( 0.602 0.652 2.655) 2.799 26.762 ( 0.263 -0.093 -3.896) 3.906 28.101 ( 2.243 -1.320 -0.335) 2.624 28.194 ( -0.801 0.367 -2.047) 2.228 29.045 ( 0.238 -0.629 -1.584) 1.721 29.101 ( 3.093 1.224 -6.924) 7.681 29.908 ( -2.408 -0.668 1.376) 2.852 29.966 ( 1.942 -4.390 0.257) 4.807 31.212 ( -11.060 -1.755 22.587) 25.210 32.124 ( 3.047 -1.811 -4.100) 5.419 33.942 ( 3.746 -0.526 2.143) 4.348 34.168 ( -8.041 -1.391 -5.067) 9.606 34.701 ( 7.148 2.295 7.889) 10.890 35.293 ( -1.494 1.488 -9.736) 9.962 ======================= Grid point 192 (94/160) ======================= q-point: (-0.11 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 4.645 0.543 -0.189) 4.680 1.687 ( 7.350 9.323 3.971) 12.518 1.871 ( 0.765 6.712 -2.818) 7.319 1.942 ( 4.472 1.450 4.067) 6.216 2.176 ( 2.970 1.940 -1.802) 3.979 3.017 ( 3.106 0.889 -10.043) 10.550 3.234 ( -9.223 3.025 11.746) 15.238 3.337 ( -5.275 -0.454 6.040) 8.032 3.762 ( 2.132 -5.161 -5.889) 8.115 4.089 ( 5.117 -1.630 2.443) 5.900 4.110 ( -0.280 -2.487 4.463) 5.117 4.264 ( -2.338 0.188 -1.187) 2.628 4.456 ( 2.240 4.791 -4.456) 6.916 4.597 ( -3.951 -0.795 13.384) 13.978 4.689 ( -0.744 2.957 -1.834) 3.558 4.722 ( -4.764 1.844 -2.799) 5.826 4.842 ( 9.464 -2.706 -2.534) 10.164 5.406 ( -3.605 11.572 3.501) 12.616 5.583 ( 7.902 -4.181 6.170) 10.862 5.731 ( 1.288 -2.508 -4.915) 5.666 5.822 ( 5.184 -2.578 -12.582) 13.851 5.987 ( 0.382 -3.533 3.454) 4.956 6.132 ( -1.250 -3.723 2.277) 4.539 6.425 ( -5.929 -0.927 -5.666) 8.253 6.574 ( 2.994 3.081 -1.268) 4.479 6.704 ( 2.392 0.895 4.415) 5.101 6.989 ( -5.943 2.023 -10.802) 12.494 7.089 ( -6.549 2.522 -9.194) 11.566 7.847 ( 4.135 -2.236 6.825) 8.288 7.962 ( 3.021 -1.040 -1.530) 3.542 8.545 ( -4.150 -1.122 2.232) 4.844 8.683 ( -1.728 1.587 1.439) 2.752 8.858 ( -0.121 2.581 -1.444) 2.960 8.989 ( 3.958 -2.751 -6.418) 8.027 9.285 ( -0.766 -0.416 9.220) 9.262 9.496 ( -3.580 -1.924 9.762) 10.574 9.944 ( 2.024 1.857 -10.123) 10.489 9.961 ( 5.097 -7.156 -5.039) 10.128 11.173 ( -5.307 -0.633 13.016) 14.071 11.729 ( -4.424 -0.197 5.541) 7.094 11.872 ( 3.139 -1.688 -10.603) 11.186 12.173 ( 5.281 -0.499 -4.542) 6.983 12.616 ( -4.184 -0.245 2.737) 5.006 13.060 ( 5.308 -0.520 -9.533) 10.924 13.577 ( -1.069 0.519 2.340) 2.624 13.645 ( 1.325 1.506 -0.259) 2.022 15.071 ( 0.221 -1.035 3.016) 3.196 15.145 ( -0.555 -1.947 -0.163) 2.031 16.392 ( -3.510 0.492 -0.223) 3.552 16.528 ( 4.618 6.978 -2.844) 8.838 17.235 ( -10.143 2.472 7.176) 12.668 17.501 ( 1.632 -1.116 2.285) 3.021 17.707 ( 1.305 -6.667 7.187) 9.889 18.125 ( 2.422 -1.439 -4.976) 5.718 18.349 ( -0.532 1.018 2.185) 2.469 18.513 ( 2.278 -0.807 -2.785) 3.687 22.194 ( 1.254 1.038 0.597) 1.734 22.215 ( -2.536 1.700 -1.164) 3.267 26.548 ( 1.058 -0.020 2.597) 2.804 26.740 ( 0.112 1.028 -4.108) 4.236 28.157 ( 1.109 -2.708 0.070) 2.928 28.178 ( 0.088 -0.171 -1.025) 1.043 29.010 ( 0.344 2.667 -2.660) 3.782 29.124 ( 2.469 -2.301 -5.120) 6.132 29.930 ( -3.915 -3.544 3.335) 6.245 30.091 ( 2.068 -7.118 -0.007) 7.412 31.210 ( -15.829 -0.726 23.397) 28.258 32.211 ( 5.701 -5.111 -3.893) 8.589 34.008 ( 5.858 -1.700 3.089) 6.837 34.116 ( -7.914 -1.195 -4.793) 9.329 34.717 ( 1.890 2.335 5.669) 6.415 35.195 ( 2.023 5.428 -11.049) 12.476 ======================= Grid point 196 (95/160) ======================= q-point: ( 0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -3.469 -0.000 1.325) 3.714 1.627 ( 1.491 0.000 -3.569) 3.868 2.032 ( 21.948 0.000 1.293) 21.986 2.256 ( 1.418 0.000 -6.916) 7.060 2.330 ( 7.295 0.000 -5.530) 9.154 2.659 ( -10.473 -0.000 -15.279) 18.524 3.153 ( -2.716 -0.000 17.663) 17.871 3.393 ( -11.379 -0.000 -14.298) 18.274 3.694 ( -12.194 -0.000 -5.939) 13.563 4.138 ( 12.127 0.000 -0.927) 12.162 4.144 ( -13.955 -0.000 3.806) 14.465 4.212 ( -4.103 -0.000 -8.952) 9.848 4.238 ( 6.865 0.000 0.903) 6.924 4.470 ( 0.689 0.000 5.505) 5.548 4.728 ( 4.308 0.000 0.276) 4.317 4.942 ( 2.456 0.000 3.937) 4.640 5.011 ( -2.869 -0.000 7.991) 8.491 5.475 ( 4.628 0.000 3.477) 5.788 5.500 ( -4.665 -0.000 2.960) 5.525 5.665 ( 2.379 0.000 0.216) 2.388 5.829 ( 2.859 0.000 -14.833) 15.106 6.073 ( -0.035 -0.000 -9.370) 9.370 6.092 ( 5.312 0.000 3.445) 6.332 6.460 ( 11.741 0.000 10.273) 15.601 6.497 ( 4.626 0.000 -0.052) 4.626 6.826 ( 1.286 0.000 -7.036) 7.153 6.976 ( 7.176 0.000 8.049) 10.784 7.101 ( 4.134 0.000 9.534) 10.391 8.110 ( 2.975 0.000 -0.691) 3.055 8.122 ( -3.250 -0.000 -2.696) 4.222 8.502 ( -6.835 -0.000 8.622) 11.003 8.769 ( 1.987 0.000 -1.226) 2.335 8.868 ( 2.273 0.000 -1.315) 2.626 9.078 ( -6.481 -0.000 -6.767) 9.370 9.382 ( -12.169 -0.000 8.363) 14.766 9.592 ( -1.245 -0.000 3.860) 4.056 9.659 ( 3.521 0.000 -7.402) 8.197 9.916 ( 1.039 0.000 -9.728) 9.784 11.161 ( -8.316 -0.000 12.474) 14.991 11.646 ( -0.155 -0.000 -0.787) 0.802 11.775 ( 0.014 0.000 -7.043) 7.043 12.332 ( 0.753 0.000 -6.482) 6.526 12.626 ( 0.132 0.000 4.360) 4.362 13.174 ( 6.460 0.000 -6.347) 9.056 13.364 ( -1.746 -0.000 1.141) 2.086 13.696 ( 1.442 0.000 -1.015) 1.763 15.130 ( -5.439 -0.000 3.975) 6.737 15.201 ( -0.149 -0.000 -0.282) 0.318 16.138 ( -1.747 -0.000 -1.462) 2.278 16.347 ( 0.061 0.000 -1.056) 1.057 17.226 ( 1.635 0.000 5.803) 6.029 17.628 ( 4.328 0.000 2.010) 4.772 17.700 ( -6.436 -0.000 0.768) 6.481 18.144 ( -0.279 -0.000 -4.892) 4.900 18.511 ( 2.790 0.000 -2.033) 3.453 18.606 ( 1.621 0.000 -1.769) 2.399 22.043 ( 1.188 0.000 -3.187) 3.401 22.234 ( 0.452 0.000 -0.005) 0.452 26.615 ( 0.816 0.000 -1.419) 1.637 26.711 ( 3.194 0.000 -1.508) 3.532 28.079 ( -1.960 -0.000 -0.178) 1.968 28.369 ( -0.928 -0.000 -6.797) 6.861 28.997 ( 0.680 0.000 6.789) 6.823 29.297 ( 4.801 0.000 -1.116) 4.928 30.091 ( -3.861 -0.000 1.239) 4.055 30.156 ( -20.331 -0.000 13.908) 24.633 30.673 ( -6.620 -0.000 19.881) 20.955 32.457 ( -7.347 -0.000 -4.418) 8.573 34.112 ( 5.984 0.000 2.933) 6.664 34.513 ( 2.248 0.000 -4.215) 4.777 34.528 ( 0.501 0.000 1.583) 1.660 34.946 ( 8.421 0.000 -7.529) 11.295 ======================= Grid point 197 (96/160) ======================= q-point: ( 0.44 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -3.646 2.330 -1.122) 4.470 1.587 ( -1.591 1.398 -7.629) 7.917 2.010 ( 6.323 9.736 -3.308) 12.071 2.331 ( 3.681 -5.527 -4.523) 8.034 2.451 ( 3.294 -3.128 -8.706) 9.819 2.597 ( 3.091 -4.498 -8.068) 9.740 3.197 ( -4.842 -2.050 20.099) 20.775 3.286 ( -8.856 -4.035 -15.209) 18.056 3.639 ( -9.478 -5.569 -8.065) 13.635 3.999 ( -3.089 4.851 0.066) 5.752 4.112 ( -4.143 3.442 -2.529) 5.950 4.175 ( 1.022 -1.497 -2.498) 3.086 4.436 ( 2.743 -5.980 -0.674) 6.614 4.500 ( 1.830 -2.511 4.753) 5.678 4.752 ( 3.579 1.834 2.498) 4.734 4.919 ( 1.197 3.735 0.145) 3.925 5.023 ( -1.479 -1.067 4.883) 5.213 5.432 ( -8.349 1.186 1.717) 8.606 5.533 ( -0.492 -3.352 0.722) 3.464 5.623 ( 5.629 5.374 -2.489) 8.171 5.915 ( 6.953 -3.368 -9.108) 11.944 6.059 ( 1.076 -0.645 -7.005) 7.116 6.120 ( 6.097 3.108 6.671) 9.557 6.421 ( 1.741 5.080 -1.344) 5.535 6.641 ( 13.549 -1.556 15.569) 20.698 6.839 ( 0.633 -1.317 -5.968) 6.144 7.048 ( 4.405 0.741 8.247) 9.379 7.153 ( 3.164 0.817 9.325) 9.881 8.023 ( -4.384 5.158 -5.037) 8.438 8.122 ( 3.641 0.639 -3.829) 5.323 8.460 ( -4.525 2.541 9.512) 10.835 8.736 ( 0.351 3.086 -0.773) 3.201 8.876 ( -2.229 2.898 -1.568) 3.978 9.000 ( 1.157 -1.440 -4.805) 5.148 9.344 ( -12.012 -2.343 4.565) 13.062 9.522 ( -0.708 3.883 3.217) 5.092 9.752 ( 3.512 -5.387 -5.503) 8.464 9.935 ( 2.027 -3.189 -10.485) 11.145 11.127 ( -8.515 0.849 12.270) 14.959 11.630 ( -0.744 1.057 0.769) 1.504 11.762 ( 1.080 -0.748 -7.450) 7.565 12.314 ( -0.724 -0.698 -8.632) 8.690 12.630 ( 0.063 1.163 5.267) 5.394 13.182 ( 4.874 1.702 -6.560) 8.348 13.382 ( 0.537 -1.753 2.326) 2.962 13.712 ( 0.831 -0.984 -1.330) 1.851 15.093 ( -4.635 0.902 3.788) 6.053 15.189 ( 0.154 1.062 -0.441) 1.160 16.143 ( 0.234 -1.507 0.054) 1.526 16.384 ( -0.737 -4.596 -1.836) 5.004 17.228 ( 1.328 2.947 8.157) 8.774 17.629 ( -1.677 0.645 0.678) 1.921 17.713 ( -0.636 -2.267 0.957) 2.542 18.119 ( -0.159 0.637 -5.954) 5.990 18.529 ( 3.115 -0.146 -1.547) 3.481 18.584 ( 0.092 2.337 -1.439) 2.746 22.039 ( 1.538 0.350 -1.803) 2.395 22.251 ( -0.929 -1.992 -1.185) 2.497 26.612 ( 1.193 0.791 -0.530) 1.527 26.726 ( 2.196 0.133 -1.954) 2.942 28.068 ( -0.810 -0.128 -0.158) 0.835 28.317 ( -1.538 1.803 -5.912) 6.370 29.009 ( 0.165 1.247 5.850) 5.984 29.311 ( 4.503 2.025 -1.405) 5.133 29.966 ( -6.260 4.888 7.164) 10.696 30.125 ( -9.823 -0.660 5.125) 11.099 30.759 ( -5.966 -6.314 21.437) 23.130 32.356 ( -6.659 2.617 -7.304) 10.224 34.103 ( 4.155 5.446 3.020) 7.486 34.457 ( -1.196 6.015 -0.750) 6.179 34.562 ( 5.093 -2.983 -1.027) 5.991 35.064 ( 4.518 -7.405 -6.408) 10.784 ======================= Grid point 198 (97/160) ======================= q-point: (-0.44 -0.67 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -3.753 0.196 -1.813) 4.173 1.558 ( 2.992 -1.735 -4.938) 6.028 1.875 ( 0.527 5.464 -1.690) 5.744 2.341 ( 6.767 2.958 -26.276) 27.294 2.451 ( -6.720 -1.009 4.111) 7.942 2.780 ( 9.730 -7.917 0.490) 12.554 3.197 ( -9.488 -0.358 14.588) 17.406 3.382 ( -2.094 -7.920 -1.143) 8.271 3.690 ( -6.596 -7.569 -10.137) 14.267 3.928 ( -0.639 -0.006 -0.961) 1.153 4.045 ( 1.487 1.126 -0.926) 2.083 4.233 ( -0.564 -4.618 -0.581) 4.689 4.410 ( -10.034 1.639 -0.715) 10.192 4.598 ( 4.749 0.236 2.022) 5.167 4.706 ( -2.883 3.885 6.321) 7.960 4.904 ( 4.641 -1.155 -5.454) 7.254 5.075 ( 2.700 -2.821 1.046) 4.043 5.376 ( -5.392 -1.459 1.702) 5.839 5.519 ( -1.274 4.841 -2.138) 5.443 5.634 ( 3.394 -3.662 -3.808) 6.279 5.875 ( 5.213 8.000 -7.756) 12.302 6.002 ( 3.906 6.472 -2.023) 7.826 6.123 ( 1.640 3.448 1.201) 4.003 6.394 ( 2.150 -0.612 1.458) 2.669 6.804 ( 0.389 3.166 -1.076) 3.367 6.856 ( 9.644 -5.177 13.636) 17.485 7.074 ( 2.388 1.464 9.345) 9.756 7.164 ( 0.946 2.565 5.584) 6.217 7.874 ( -5.120 3.854 -6.986) 9.481 8.114 ( 4.545 1.792 -6.801) 8.374 8.423 ( -3.097 1.157 9.097) 9.680 8.666 ( -2.791 2.454 -0.614) 3.767 8.807 ( 1.236 1.878 -2.726) 3.534 9.052 ( 4.075 -1.524 -3.169) 5.383 9.306 ( -9.259 -0.575 4.087) 10.138 9.482 ( -1.582 1.057 5.395) 5.721 9.849 ( 3.465 -4.082 -6.524) 8.440 9.961 ( 2.744 -0.959 -11.111) 11.485 11.094 ( -7.830 0.099 12.480) 14.733 11.617 ( -1.359 0.063 4.364) 4.571 11.771 ( 2.788 -1.299 -8.150) 8.711 12.285 ( -0.878 0.139 -9.755) 9.796 12.625 ( -0.248 1.167 5.890) 6.010 13.146 ( 3.526 2.758 -7.311) 8.572 13.441 ( 1.856 -2.267 3.259) 4.382 13.728 ( -0.304 -0.759 -1.529) 1.734 15.061 ( -3.356 0.353 3.031) 4.537 15.163 ( 0.572 1.756 -0.503) 1.914 16.199 ( 2.207 -3.066 2.097) 4.321 16.484 ( -0.969 -7.146 -2.676) 7.692 17.213 ( -0.462 2.034 11.641) 11.827 17.605 ( -0.235 1.683 1.322) 2.153 17.722 ( -2.720 0.513 -0.785) 2.877 18.081 ( -0.017 0.755 -7.612) 7.650 18.518 ( -2.155 2.670 -0.772) 3.517 18.550 ( 4.403 1.109 -1.167) 4.688 22.051 ( 1.804 -0.698 0.328) 1.962 22.276 ( -2.188 -2.233 -2.046) 3.737 26.600 ( 0.973 1.465 0.643) 1.873 26.729 ( 1.021 -0.180 -2.557) 2.759 28.071 ( 0.678 -0.150 -0.149) 0.710 28.255 ( -1.233 1.555 -4.872) 5.261 29.000 ( -0.155 1.028 3.226) 3.389 29.281 ( 3.652 3.553 -2.682) 5.758 29.894 ( -1.755 2.060 5.249) 5.906 30.053 ( -5.989 2.683 2.347) 6.970 30.928 ( -5.995 -7.859 23.116) 25.141 32.230 ( -3.899 3.198 -8.464) 9.852 34.030 ( 2.571 5.241 2.493) 6.347 34.319 ( -3.520 5.615 -2.490) 7.080 34.666 ( 7.346 -2.178 2.612) 8.095 35.194 ( 0.769 -6.015 -6.280) 8.730 ======================= Grid point 199 (98/160) ======================= q-point: (-0.33 -0.67 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -4.444 -0.851 -1.435) 4.747 1.684 ( 9.435 -5.736 -0.634) 11.060 1.815 ( 1.701 1.074 -0.510) 2.076 2.244 ( 6.776 4.167 -23.625) 24.928 2.380 ( -8.215 2.521 5.108) 9.997 2.974 ( 4.582 -5.167 0.800) 6.952 3.213 ( -7.585 -2.585 14.387) 16.468 3.432 ( -5.454 0.509 6.436) 8.451 3.689 ( -0.828 -1.201 -8.268) 8.396 3.987 ( 3.168 -1.979 -2.465) 4.475 4.094 ( -3.866 -4.510 -4.071) 7.201 4.233 ( -2.071 0.283 3.333) 3.935 4.368 ( -2.084 -4.487 -5.016) 7.045 4.620 ( 1.925 -0.626 4.100) 4.572 4.656 ( -2.183 2.110 10.108) 10.554 4.911 ( 1.265 2.726 -7.109) 7.718 5.126 ( -1.229 -0.864 -8.448) 8.580 5.393 ( -1.468 4.887 0.012) 5.103 5.449 ( -1.424 -7.974 3.957) 9.015 5.685 ( -0.263 2.187 -6.213) 6.592 5.742 ( 6.571 2.902 -0.977) 7.250 5.919 ( 4.344 4.651 -1.086) 6.456 6.036 ( 4.214 6.564 -3.900) 8.721 6.419 ( -1.967 -1.019 -2.658) 3.460 6.722 ( 0.360 4.537 3.449) 5.711 6.954 ( 2.876 5.072 3.453) 6.776 7.084 ( -1.305 2.735 5.687) 6.444 7.218 ( 5.399 -5.321 7.690) 10.798 7.778 ( -4.533 -0.142 -4.594) 6.456 8.069 ( 3.649 3.949 -6.918) 8.762 8.437 ( -2.217 -1.768 8.789) 9.236 8.632 ( -1.533 -1.021 0.019) 1.842 8.788 ( 1.328 0.451 -4.360) 4.580 9.083 ( 3.105 0.219 -4.697) 5.635 9.267 ( -5.476 -0.244 7.043) 8.924 9.477 ( -2.901 0.299 7.188) 7.757 9.887 ( -0.461 0.722 -5.754) 5.817 9.955 ( 7.029 -0.281 -12.455) 14.305 11.094 ( -6.703 -1.485 13.017) 14.717 11.640 ( -0.615 -1.419 6.067) 6.261 11.794 ( 3.950 -1.297 -8.765) 9.701 12.230 ( -0.364 1.584 -9.378) 9.517 12.623 ( -1.030 0.599 5.712) 5.835 13.097 ( 3.312 2.267 -8.289) 9.210 13.508 ( 2.330 -1.779 3.907) 4.885 13.721 ( -1.566 0.128 -1.731) 2.338 15.050 ( -2.175 -0.532 2.020) 3.015 15.133 ( 0.734 1.803 -0.216) 1.959 16.294 ( 3.204 -3.406 3.656) 5.935 16.597 ( -0.384 -5.933 -3.782) 7.046 17.234 ( -2.497 -1.022 14.088) 14.344 17.567 ( 0.410 2.997 2.101) 3.683 17.647 ( -4.858 3.582 -1.179) 6.149 18.053 ( 0.869 -0.538 -8.767) 8.827 18.450 ( -2.222 2.442 0.474) 3.336 18.548 ( 3.520 2.017 -1.395) 4.289 22.097 ( 2.713 -1.879 2.038) 3.879 22.282 ( -3.364 -1.352 -2.369) 4.331 26.579 ( 0.149 1.496 1.657) 2.237 26.736 ( 0.867 -0.793 -3.119) 3.333 28.081 ( 1.628 -0.066 -0.077) 1.631 28.212 ( -0.780 0.630 -4.267) 4.383 28.999 ( 0.373 -0.281 0.406) 0.619 29.222 ( 2.787 3.994 -4.316) 6.508 29.884 ( 0.659 0.148 2.882) 2.960 29.968 ( -3.441 2.824 1.023) 4.567 31.087 ( -6.666 -5.518 23.278) 24.834 32.135 ( -1.108 1.898 -7.239) 7.565 33.980 ( 2.941 2.963 2.473) 4.852 34.190 ( -5.362 3.337 -3.625) 7.282 34.756 ( 6.387 -0.129 5.683) 8.550 35.257 ( -0.376 -3.201 -7.744) 8.388 ======================= Grid point 200 (99/160) ======================= q-point: (-0.22 -0.67 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -2.051 0.237 1.054) 2.318 1.815 ( 7.589 -1.662 -7.729) 10.959 1.857 ( 2.205 -3.339 -1.401) 4.240 2.109 ( -1.320 5.458 -12.718) 13.903 2.329 ( 2.585 3.225 9.305) 10.182 3.029 ( -1.223 -0.465 -4.182) 4.382 3.228 ( -8.990 -1.228 7.966) 12.074 3.375 ( -7.891 2.011 13.482) 15.751 3.711 ( 7.948 0.660 -3.250) 8.612 4.020 ( -3.899 -1.509 4.672) 6.269 4.051 ( 3.777 -1.171 -9.312) 10.117 4.323 ( -3.170 0.062 0.226) 3.179 4.464 ( 2.468 -9.772 1.734) 10.227 4.658 ( -4.071 -0.281 7.127) 8.212 4.664 ( 6.074 1.481 1.267) 6.379 4.784 ( -0.931 5.972 -0.986) 6.124 4.991 ( -7.015 5.325 -16.398) 18.613 5.359 ( 1.934 0.252 3.996) 4.447 5.606 ( -3.950 -1.120 -0.346) 4.120 5.649 ( 3.773 -8.017 -0.688) 8.887 5.810 ( 1.707 -2.890 0.214) 3.364 5.893 ( 6.533 2.148 0.848) 6.929 5.943 ( 5.963 4.311 -5.599) 9.246 6.382 ( -5.687 -0.808 -7.686) 9.595 6.681 ( 2.965 3.935 8.322) 9.671 6.857 ( 0.173 4.424 -1.026) 4.545 7.024 ( -0.116 4.138 1.972) 4.586 7.273 ( -3.525 2.504 -6.796) 8.055 7.804 ( 1.909 -2.920 4.206) 5.465 7.995 ( 1.423 3.269 -3.963) 5.331 8.504 ( -2.137 -2.860 9.427) 10.080 8.668 ( 0.542 -2.584 -0.431) 2.675 8.780 ( 0.741 -0.951 -5.069) 5.210 9.047 ( 0.737 2.709 -5.949) 6.579 9.297 ( -2.973 -2.429 8.506) 9.333 9.474 ( -3.177 0.097 8.080) 8.683 9.816 ( 1.291 2.695 -5.656) 6.397 9.979 ( 5.603 -0.320 -11.326) 12.641 11.124 ( -5.993 -1.986 13.241) 14.669 11.691 ( -0.499 -1.916 5.546) 5.889 11.816 ( 3.864 -0.924 -9.191) 10.013 12.174 ( 1.296 1.104 -8.129) 8.305 12.620 ( -2.062 0.465 5.005) 5.433 13.064 ( 3.904 1.020 -8.947) 9.815 13.565 ( 1.826 -1.024 3.984) 4.500 13.692 ( -1.855 0.751 -1.837) 2.717 15.058 ( -1.057 -0.908 1.309) 1.912 15.109 ( 0.309 0.994 0.213) 1.063 16.377 ( 1.576 -1.590 3.591) 4.231 16.659 ( 1.601 -1.609 -4.935) 5.432 17.284 ( -6.766 -1.505 13.375) 15.064 17.515 ( -0.345 2.698 2.762) 3.876 17.559 ( -1.846 1.223 1.529) 2.691 18.060 ( 2.181 -1.915 -8.290) 8.784 18.398 ( -2.122 1.657 1.116) 2.914 18.526 ( 2.536 1.864 -1.577) 3.520 22.167 ( 3.558 -1.903 2.809) 4.916 22.258 ( -4.181 0.031 -2.321) 4.782 26.562 ( -0.447 0.799 2.201) 2.384 26.747 ( 1.160 -0.541 -3.506) 3.732 28.099 ( 1.788 -0.517 -0.238) 1.876 28.187 ( -0.568 0.288 -3.279) 3.340 29.020 ( 1.248 -1.386 -1.432) 2.351 29.152 ( 2.214 3.557 -5.802) 7.157 29.903 ( -0.541 0.991 -0.500) 1.235 29.920 ( -0.223 -1.421 2.310) 2.721 31.177 ( -8.514 -2.170 22.691) 24.332 32.102 ( 1.191 -0.620 -5.193) 5.364 33.984 ( 4.598 0.761 2.895) 5.486 34.094 ( -5.974 0.912 -4.122) 7.315 34.795 ( 1.261 1.417 6.512) 6.782 35.269 ( 1.973 -0.671 -8.858) 9.100 ======================= Grid point 201 (100/160) ======================= q-point: (-0.11 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 0.937 0.073 2.184) 2.378 1.779 ( -1.080 3.033 -13.265) 13.650 1.928 ( -4.178 -0.198 -5.491) 6.903 2.015 ( 10.140 0.296 -0.532) 10.158 2.327 ( 7.417 5.390 13.345) 16.191 2.977 ( -3.440 0.565 -10.838) 11.385 3.197 ( -10.196 -0.729 7.967) 12.960 3.339 ( -4.163 1.101 11.023) 11.834 3.755 ( 9.308 0.439 -2.252) 9.587 4.076 ( 2.622 -1.863 -2.291) 3.949 4.111 ( 2.836 -4.218 4.233) 6.614 4.244 ( -5.688 2.764 1.433) 6.484 4.513 ( -4.912 5.294 -7.170) 10.177 4.595 ( -2.797 -1.279 8.816) 9.337 4.728 ( 8.767 1.130 0.284) 8.844 4.762 ( -6.959 4.403 -3.783) 9.062 4.850 ( 7.738 -3.407 -4.904) 9.775 5.442 ( 0.783 -5.719 1.094) 5.876 5.595 ( -5.966 -1.814 1.607) 6.440 5.723 ( 3.701 4.877 3.106) 6.865 5.802 ( 6.396 0.842 -12.475) 14.044 5.963 ( 3.450 -2.591 5.469) 6.966 6.011 ( -2.089 -7.531 1.840) 8.029 6.351 ( -2.108 -2.352 -7.616) 8.245 6.646 ( 2.220 4.170 6.901) 8.363 6.822 ( 2.997 1.687 2.603) 4.313 6.950 ( -0.650 3.658 -3.955) 5.427 7.081 ( -7.962 6.300 -13.696) 17.049 7.877 ( 3.254 -0.369 5.425) 6.337 7.963 ( 0.959 -0.101 -2.311) 2.504 8.527 ( -3.378 0.734 5.110) 6.170 8.691 ( -1.416 0.166 1.134) 1.821 8.839 ( 3.047 -3.937 -4.307) 6.583 8.990 ( 1.726 1.277 -4.821) 5.278 9.309 ( -3.581 1.300 8.296) 9.129 9.478 ( -3.331 -0.458 8.388) 9.037 9.847 ( 3.698 -5.811 -4.053) 7.992 9.967 ( 4.234 1.580 -11.270) 12.142 11.155 ( -5.875 -1.326 12.872) 14.212 11.714 ( -3.480 -0.010 4.800) 5.929 11.834 ( 3.756 -1.345 -9.721) 10.508 12.172 ( 4.032 -1.312 -6.007) 7.352 12.605 ( -2.761 0.756 4.178) 5.065 13.060 ( 4.679 -0.238 -9.158) 10.287 13.582 ( -2.129 0.641 1.937) 2.949 13.672 ( 1.383 0.265 -0.274) 1.434 15.072 ( -0.069 -0.365 1.780) 1.818 15.108 ( -0.559 -1.015 -0.085) 1.162 16.386 ( -2.281 1.157 1.365) 2.899 16.652 ( 4.193 2.978 -4.578) 6.885 17.233 ( -9.898 2.593 9.230) 13.780 17.504 ( 0.644 0.440 2.935) 3.037 17.621 ( 1.229 -5.909 7.094) 9.314 18.094 ( 3.014 -2.035 -6.987) 7.877 18.362 ( -1.960 0.950 1.253) 2.513 18.517 ( 2.121 0.252 -2.030) 2.946 22.195 ( -4.283 1.234 -1.543) 4.717 22.239 ( 3.546 -0.531 2.180) 4.197 26.558 ( -0.527 -0.049 2.206) 2.269 26.746 ( 1.263 0.482 -3.636) 3.879 28.123 ( 0.021 -1.198 -1.009) 1.566 28.175 ( 0.995 -0.157 -1.529) 1.831 29.042 ( 0.611 0.576 -1.396) 1.629 29.101 ( 3.041 0.397 -6.921) 7.570 29.881 ( -2.014 -0.298 1.084) 2.306 29.991 ( 0.851 -4.640 0.578) 4.752 31.190 ( -11.242 0.728 22.324) 25.005 32.144 ( 2.950 -3.793 -3.941) 6.214 34.016 ( -2.260 -0.853 -1.060) 2.637 34.056 ( 2.960 -0.537 0.847) 3.125 34.763 ( -5.077 2.057 3.392) 6.443 35.260 ( 5.921 1.934 -7.710) 9.912 ======================= Grid point 206 (101/160) ======================= q-point: (-0.56 -0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -7.598 -0.000 -1.264) 7.702 1.528 ( -7.768 -0.000 -10.530) 13.085 2.139 ( -6.240 -0.000 -12.355) 13.842 2.307 ( 6.111 0.000 2.486) 6.597 2.412 ( 8.259 0.000 -5.418) 9.878 2.547 ( 8.179 0.000 -6.945) 10.730 3.093 ( -10.701 -0.000 -21.196) 23.744 3.191 ( -8.331 -0.000 19.364) 21.080 3.472 ( -7.677 -0.000 -10.651) 13.129 3.960 ( -11.591 -0.000 2.291) 11.816 4.092 ( -4.224 -0.000 -5.251) 6.739 4.336 ( 3.937 0.000 0.743) 4.006 4.346 ( 14.821 0.000 -1.706) 14.919 4.475 ( -3.602 -0.000 4.925) 6.102 4.830 ( 6.599 0.000 1.990) 6.892 4.946 ( -2.658 -0.000 -4.210) 4.979 4.997 ( -4.749 -0.000 5.616) 7.355 5.366 ( -9.791 -0.000 4.383) 10.727 5.512 ( -0.654 -0.000 0.970) 1.170 5.811 ( 4.731 0.000 -7.832) 9.150 5.827 ( 9.226 0.000 9.043) 12.919 6.031 ( 3.238 0.000 -11.873) 12.307 6.253 ( 10.367 0.000 5.751) 11.855 6.478 ( -0.005 -0.000 -3.460) 3.460 6.797 ( 14.273 0.000 15.817) 21.305 6.806 ( 2.321 0.000 -4.890) 5.413 7.123 ( 3.777 0.000 9.500) 10.223 7.214 ( 2.472 0.000 9.850) 10.155 8.020 ( -6.788 -0.000 -6.690) 9.530 8.128 ( 2.210 0.000 -6.183) 6.566 8.504 ( -3.037 -0.000 14.156) 14.478 8.781 ( 1.468 0.000 -3.124) 3.451 8.861 ( -3.605 -0.000 -2.402) 4.332 8.971 ( 0.697 0.000 -5.334) 5.379 9.239 ( -12.544 -0.000 6.934) 14.333 9.579 ( -3.313 -0.000 2.432) 4.110 9.677 ( 3.398 0.000 -3.877) 5.155 9.900 ( 6.610 0.000 -12.807) 14.413 11.111 ( -8.855 -0.000 12.556) 15.365 11.640 ( 0.199 0.000 -1.112) 1.129 11.740 ( 1.704 0.000 -7.339) 7.534 12.258 ( -2.635 -0.000 -10.012) 10.353 12.661 ( -0.063 -0.000 5.884) 5.884 13.216 ( 4.511 0.000 -6.574) 7.973 13.383 ( 1.849 0.000 3.487) 3.947 13.701 ( 0.435 0.000 -2.109) 2.154 15.078 ( -4.902 -0.000 4.172) 6.436 15.200 ( 0.378 0.000 -0.403) 0.553 16.137 ( 2.091 0.000 0.542) 2.160 16.322 ( -1.598 -0.000 -2.502) 2.969 17.307 ( 3.280 0.000 7.278) 7.983 17.584 ( -6.094 -0.000 0.377) 6.106 17.725 ( 3.612 0.000 2.032) 4.144 18.105 ( 0.070 0.000 -6.681) 6.682 18.543 ( 2.738 0.000 -1.058) 2.935 18.597 ( -1.208 -0.000 -1.968) 2.309 22.053 ( 2.493 0.000 -2.066) 3.238 22.213 ( -2.229 -0.000 -1.838) 2.889 26.630 ( 1.813 0.000 -0.333) 1.843 26.738 ( 1.927 0.000 -2.369) 3.054 28.062 ( -0.242 -0.000 0.224) 0.329 28.296 ( -2.539 -0.000 -6.490) 6.969 29.046 ( -0.657 -0.000 7.256) 7.285 29.361 ( 3.997 0.000 -0.943) 4.106 29.997 ( -12.048 -0.000 13.068) 17.774 30.060 ( -1.120 -0.000 1.276) 1.698 30.736 ( -3.529 -0.000 22.648) 22.922 32.298 ( -6.546 -0.000 -9.797) 11.783 34.214 ( 3.342 0.000 5.193) 6.175 34.521 ( 2.338 0.000 -3.693) 4.371 34.539 ( -0.516 -0.000 1.831) 1.903 34.997 ( 5.113 0.000 -8.224) 9.684 ======================= Grid point 207 (102/160) ======================= q-point: (-0.44 -0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -10.552 0.460 -3.966) 11.282 1.471 ( -6.356 -4.582 -6.659) 10.283 1.954 ( -4.460 5.857 -7.536) 10.535 2.373 ( -4.621 -1.083 -4.097) 6.270 2.420 ( 9.820 3.900 -9.473) 14.191 2.694 ( 9.892 -9.121 -4.200) 14.095 3.026 ( -10.661 -6.821 -12.764) 17.975 3.221 ( -9.931 -5.888 14.004) 18.150 3.483 ( -0.469 -6.380 -6.125) 8.857 3.901 ( -6.992 -0.706 2.426) 7.434 4.055 ( -1.933 -0.982 -1.575) 2.680 4.277 ( 11.388 6.797 -3.843) 13.807 4.363 ( -10.825 1.577 4.429) 11.802 4.593 ( 4.106 -4.619 1.887) 6.462 4.816 ( 1.605 4.513 4.552) 6.608 4.886 ( -1.721 0.891 -8.188) 8.414 5.030 ( 0.306 -3.471 1.053) 3.640 5.319 ( -7.404 -0.372 4.999) 8.941 5.533 ( -2.065 -2.247 2.229) 3.780 5.712 ( 8.128 7.665 -3.387) 11.674 5.950 ( 3.795 1.443 -8.228) 9.175 6.055 ( 3.641 -3.051 -2.757) 5.493 6.298 ( 9.613 5.814 6.401) 12.930 6.432 ( 1.026 2.584 -2.458) 3.711 6.827 ( 2.907 -0.629 -0.974) 3.129 6.932 ( 9.660 0.657 12.851) 16.090 7.156 ( 1.785 1.710 9.798) 10.105 7.245 ( 1.190 2.215 9.823) 10.139 7.881 ( -8.222 4.458 -9.243) 13.150 8.126 ( 1.876 -0.244 -8.257) 8.470 8.489 ( -1.693 3.662 12.242) 12.889 8.706 ( -3.036 4.516 -1.731) 5.711 8.836 ( 0.724 0.214 -4.192) 4.260 9.026 ( 4.263 -3.409 -2.881) 6.172 9.200 ( -10.490 -3.014 6.696) 12.805 9.520 ( -2.712 2.540 3.272) 4.951 9.761 ( 2.303 -5.290 -4.326) 7.211 9.929 ( 7.391 -1.412 -13.004) 15.024 11.081 ( -8.244 0.432 12.848) 15.272 11.629 ( -0.284 0.696 1.737) 1.893 11.743 ( 3.136 -1.097 -7.800) 8.478 12.220 ( -2.360 -1.527 -10.811) 11.170 12.668 ( -0.247 1.156 6.450) 6.558 13.200 ( 3.355 2.371 -7.153) 8.249 13.430 ( 2.418 -1.741 4.120) 5.084 13.702 ( -0.466 -0.765 -2.657) 2.804 15.052 ( -4.081 0.406 3.978) 5.714 15.193 ( 0.621 1.011 -0.439) 1.265 16.181 ( 3.866 -1.897 1.770) 4.656 16.347 ( -1.830 -4.834 -2.966) 5.960 17.312 ( 1.713 3.908 9.271) 10.206 17.578 ( -3.641 -2.538 0.505) 4.467 17.743 ( 2.026 1.377 1.020) 2.654 18.073 ( 0.006 0.921 -8.039) 8.092 18.536 ( -2.010 1.890 -0.965) 2.923 18.585 ( 2.225 -0.253 -1.642) 2.777 22.064 ( 2.591 0.216 -0.321) 2.620 22.207 ( -2.826 -2.000 -2.831) 4.472 26.635 ( 1.765 0.990 0.234) 2.037 26.733 ( 0.808 0.622 -2.886) 3.061 28.071 ( 0.959 -0.521 0.381) 1.156 28.246 ( -2.498 0.897 -5.678) 6.268 29.040 ( -1.426 1.815 6.073) 6.497 29.358 ( 2.717 2.482 -1.717) 4.061 29.940 ( -3.935 2.119 9.529) 10.524 30.056 ( -2.346 0.984 2.022) 3.250 30.847 ( -2.668 -5.233 25.853) 26.512 32.207 ( -4.075 1.248 -11.463) 12.230 34.174 ( 1.925 6.400 4.229) 7.908 34.413 ( -2.810 7.281 -2.467) 8.186 34.642 ( 4.325 -5.710 1.885) 7.407 35.067 ( 2.448 -5.788 -8.197) 10.328 ======================= Grid point 208 (103/160) ======================= q-point: (-0.33 -0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -9.499 -2.946 -5.502) 11.366 1.595 ( 3.220 -10.446 -0.495) 10.942 1.850 ( -0.492 2.169 -1.182) 2.518 2.290 ( -16.602 1.487 -1.640) 16.749 2.341 ( 11.231 4.277 -18.693) 22.223 2.918 ( 6.173 -7.718 -7.083) 12.159 3.089 ( -5.620 -7.282 6.880) 11.487 3.342 ( -7.496 -7.833 8.423) 13.729 3.583 ( 1.485 -5.499 -7.408) 9.345 3.906 ( -5.090 -3.628 5.617) 8.404 4.089 ( 3.322 0.165 0.551) 3.371 4.212 ( -7.143 0.477 -6.733) 9.828 4.280 ( 2.470 1.364 2.450) 3.737 4.616 ( -6.274 0.886 11.268) 12.928 4.763 ( 1.582 4.309 5.288) 7.002 4.886 ( 3.016 -3.030 -13.665) 14.318 5.086 ( 2.001 -0.952 -6.368) 6.742 5.326 ( -4.344 -4.024 4.143) 7.227 5.491 ( -5.269 5.599 6.097) 9.813 5.670 ( 7.112 0.733 -8.360) 11.000 5.881 ( 2.814 4.401 -7.357) 9.023 6.054 ( 5.602 5.298 -5.068) 9.227 6.238 ( 8.135 8.978 7.556) 14.278 6.392 ( -2.295 1.181 -3.799) 4.593 6.824 ( 2.772 3.740 3.727) 5.963 7.023 ( 1.698 -0.359 4.293) 4.631 7.167 ( 1.513 2.272 10.074) 10.437 7.230 ( 1.908 1.504 10.174) 10.460 7.725 ( -7.231 1.439 -7.727) 10.680 8.100 ( 1.151 0.946 -11.007) 11.107 8.454 ( -1.822 2.028 9.999) 10.364 8.623 ( -1.636 1.257 1.034) 2.308 8.821 ( 3.239 1.868 -4.909) 6.170 9.072 ( 0.634 -1.223 -6.861) 6.998 9.230 ( -4.474 -2.245 9.704) 10.919 9.484 ( -2.874 0.552 5.538) 6.264 9.843 ( 1.506 -3.080 -5.439) 6.429 9.964 ( 7.678 -0.595 -13.028) 15.134 11.067 ( -6.829 -0.588 13.485) 15.127 11.638 ( -0.312 -0.595 5.822) 5.861 11.773 ( 4.853 -1.497 -8.864) 10.216 12.197 ( -1.308 -0.900 -10.405) 10.525 12.661 ( -0.472 1.568 6.537) 6.739 13.143 ( 2.643 3.016 -8.051) 8.994 13.502 ( 2.291 -2.198 4.450) 5.467 13.697 ( -1.846 -0.444 -2.946) 3.505 15.033 ( -2.931 -0.088 3.195) 4.336 15.171 ( 0.762 1.659 -0.392) 1.868 16.274 ( 4.924 -3.235 3.468) 6.837 16.443 ( -1.524 -7.521 -3.620) 8.485 17.280 ( -1.208 2.811 12.021) 12.404 17.590 ( -2.847 -0.315 0.457) 2.901 17.704 ( 0.875 4.021 0.813) 4.194 18.027 ( 0.313 0.515 -9.484) 9.503 18.469 ( -3.820 2.074 0.065) 4.347 18.599 ( 3.072 0.916 -1.924) 3.739 22.096 ( 2.969 -1.250 1.991) 3.787 22.215 ( -2.972 -2.052 -3.341) 4.920 26.615 ( -0.117 1.993 0.680) 2.109 26.724 ( 1.052 -0.284 -2.817) 3.020 28.093 ( 1.957 -0.298 0.519) 2.047 28.197 ( -1.715 0.497 -4.980) 5.291 29.013 ( -0.912 1.297 3.076) 3.460 29.304 ( 1.686 3.998 -3.201) 5.392 29.920 ( -0.143 1.588 6.766) 6.951 30.005 ( -1.477 3.019 0.756) 3.445 31.023 ( -3.153 -5.519 26.677) 27.424 32.126 ( -1.154 1.166 -10.655) 10.780 34.086 ( 2.003 5.107 3.497) 6.506 34.239 ( -4.244 6.718 -3.367) 8.630 34.772 ( 2.296 -3.393 3.976) 5.709 35.162 ( 2.505 -5.072 -8.393) 10.121 ======================= Grid point 209 (104/160) ======================= q-point: (-0.22 -0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -5.818 -4.306 -3.834) 8.190 1.807 ( 8.125 -5.173 -5.275) 10.982 1.843 ( 1.990 -0.569 1.231) 2.408 2.099 ( -15.095 1.629 -9.559) 17.941 2.351 ( 6.925 -1.182 -2.467) 7.446 3.017 ( 0.266 -2.681 -6.996) 7.497 3.182 ( -3.069 -1.422 11.643) 12.125 3.373 ( -8.986 -0.027 10.669) 13.949 3.720 ( 8.868 -6.561 -7.265) 13.209 3.936 ( -9.764 -2.916 4.297) 11.059 4.056 ( 4.331 2.439 -2.362) 5.503 4.247 ( 0.368 -7.348 3.148) 8.002 4.327 ( -0.811 -2.928 -2.175) 3.736 4.619 ( -6.988 -2.248 14.188) 15.975 4.732 ( -0.652 1.162 3.495) 3.741 4.872 ( 3.771 3.977 -8.377) 10.011 4.995 ( -3.097 5.258 -16.038) 17.160 5.397 ( -1.601 2.405 4.987) 5.764 5.440 ( -2.499 -9.295 2.471) 9.938 5.678 ( 3.667 1.156 -5.007) 6.313 5.805 ( 4.731 3.144 -5.025) 7.584 5.967 ( 6.341 5.945 -7.597) 11.544 6.168 ( 8.923 8.148 8.616) 14.841 6.308 ( -7.233 1.004 -7.868) 10.734 6.796 ( 3.343 2.660 5.281) 6.793 6.931 ( -4.032 6.860 0.847) 8.002 7.151 ( 2.570 4.623 6.722) 8.554 7.262 ( -2.722 0.797 -1.619) 3.266 7.729 ( -0.520 -6.208 2.850) 6.851 8.031 ( -0.729 2.494 -10.634) 10.947 8.475 ( -1.099 -2.240 10.059) 10.364 8.640 ( 1.648 -1.610 2.001) 3.051 8.783 ( 2.012 2.242 -4.645) 5.536 9.049 ( -1.778 0.448 -8.055) 8.261 9.266 ( -2.309 -1.475 8.917) 9.328 9.480 ( -2.921 0.178 7.654) 8.194 9.848 ( 0.735 1.339 -6.290) 6.473 9.986 ( 7.415 -0.104 -12.083) 14.177 11.087 ( -5.786 -1.724 13.745) 15.013 11.678 ( -0.271 -1.348 7.006) 7.140 11.805 ( 5.547 -0.789 -9.736) 11.234 12.165 ( 0.232 0.151 -9.135) 9.139 12.647 ( -0.953 1.558 6.012) 6.283 13.088 ( 2.889 1.892 -8.789) 9.443 13.568 ( 1.453 -1.482 4.317) 4.790 13.673 ( -2.420 -0.108 -2.896) 3.775 15.033 ( -1.893 -0.884 2.154) 3.001 15.142 ( 0.609 1.803 -0.138) 1.908 16.377 ( 3.638 -2.055 4.152) 5.891 16.561 ( -0.442 -6.864 -5.020) 8.516 17.273 ( -4.283 0.573 13.263) 13.949 17.540 ( -4.624 1.539 0.822) 4.942 17.635 ( 2.119 4.952 2.774) 6.059 18.014 ( 2.195 -1.582 -9.377) 9.760 18.410 ( -3.375 1.445 0.898) 3.779 18.579 ( 1.825 2.296 -2.168) 3.648 22.164 ( 3.079 -2.198 2.884) 4.757 22.212 ( -2.481 -1.082 -2.640) 3.781 26.576 ( -1.881 1.270 0.945) 2.459 26.739 ( 2.167 -0.661 -2.600) 3.448 28.107 ( 1.257 0.239 -0.194) 1.295 28.173 ( -0.165 -0.214 -3.624) 3.635 29.008 ( 0.738 -0.387 -0.132) 0.844 29.222 ( 1.125 4.285 -4.654) 6.425 29.919 ( 0.532 0.543 4.289) 4.355 29.940 ( -0.358 2.998 -0.295) 3.034 31.154 ( -5.652 -2.637 24.971) 25.738 32.083 ( 0.989 -0.034 -7.803) 7.865 34.055 ( 3.315 1.493 2.676) 4.514 34.090 ( -3.607 4.657 -2.551) 6.419 34.809 ( -4.517 -0.174 2.898) 5.369 35.243 ( 6.111 -2.819 -7.079) 9.768 ======================= Grid point 210 (105/160) ======================= q-point: (-0.11 -0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -3.711 -3.910 -0.153) 5.393 1.806 ( 0.454 3.529 -13.233) 13.703 1.878 ( -1.066 -0.291 0.429) 1.185 2.022 ( 1.202 -3.254 -8.856) 9.511 2.437 ( 3.242 -1.436 8.674) 9.371 2.971 ( -2.645 3.240 -6.669) 7.872 3.186 ( -2.173 1.573 10.190) 10.537 3.352 ( -5.477 -0.001 10.655) 11.980 3.829 ( 8.025 -0.925 -3.809) 8.931 3.996 ( -2.763 -6.729 4.907) 8.775 4.071 ( 4.844 -0.451 -3.096) 5.766 4.277 ( -4.379 2.121 3.030) 5.732 4.475 ( -3.075 -7.691 0.496) 8.298 4.589 ( -4.092 3.040 0.137) 5.100 4.740 ( -4.387 -4.158 11.742) 13.206 4.794 ( -2.454 5.087 -12.233) 13.474 4.847 ( 8.205 2.261 -4.988) 9.865 5.384 ( -0.492 -1.777 0.945) 2.072 5.593 ( 0.659 1.637 1.422) 2.267 5.689 ( 4.479 -9.039 -5.271) 11.382 5.817 ( -0.012 -1.024 -1.396) 1.731 5.874 ( 0.770 3.578 -11.207) 11.789 6.118 ( 6.544 7.329 9.556) 13.706 6.256 ( -1.684 -3.399 -6.386) 7.428 6.784 ( -5.064 2.687 -2.899) 6.425 6.813 ( 5.240 3.061 8.480) 10.428 7.077 ( -0.183 4.961 -2.523) 5.569 7.128 ( -3.105 8.336 -3.644) 9.613 7.872 ( 1.261 -4.913 4.762) 6.957 7.953 ( -1.206 1.154 -7.384) 7.570 8.544 ( -1.871 -0.306 10.940) 11.103 8.693 ( 2.451 -0.482 0.316) 2.518 8.771 ( 2.540 -2.775 -4.413) 5.799 8.993 ( -1.580 0.740 -7.026) 7.239 9.310 ( -2.802 -1.579 7.926) 8.554 9.480 ( -2.995 0.326 8.099) 8.642 9.801 ( 1.557 0.498 -5.559) 5.794 9.992 ( 5.770 0.911 -11.166) 12.602 11.124 ( -5.631 -1.772 13.451) 14.690 11.709 ( -1.955 -0.070 4.981) 5.351 11.822 ( 5.049 -0.209 -9.236) 10.528 12.152 ( 2.631 -1.056 -7.204) 7.742 12.627 ( -1.435 1.550 5.196) 5.608 13.062 ( 3.648 0.350 -9.082) 9.793 13.582 ( -2.662 0.754 1.076) 2.969 13.671 ( 0.911 -1.184 0.053) 1.495 15.050 ( -1.103 -1.490 1.272) 2.249 15.115 ( 0.211 1.363 0.240) 1.400 16.408 ( -0.446 1.389 2.422) 2.827 16.649 ( 1.708 -3.714 -5.921) 7.195 17.246 ( -7.524 2.282 11.661) 14.064 17.546 ( -0.321 -3.537 5.836) 6.832 17.570 ( 0.692 3.652 2.955) 4.749 18.050 ( 3.867 -2.590 -8.138) 9.374 18.367 ( -2.585 1.052 0.973) 2.956 18.540 ( 0.748 1.705 -2.152) 2.846 22.175 ( -3.341 0.343 -2.156) 3.991 22.255 ( 3.859 -1.682 3.225) 5.303 26.552 ( -2.119 0.015 1.156) 2.414 26.755 ( 2.427 0.052 -2.656) 3.598 28.104 ( -0.412 -0.108 -1.956) 2.002 28.176 ( 1.594 -0.305 -1.299) 2.079 29.034 ( 1.980 -1.350 -1.818) 3.008 29.138 ( 1.108 3.474 -5.840) 6.885 29.890 ( -0.117 1.941 -0.322) 1.971 29.940 ( 0.206 -1.541 2.141) 2.646 31.200 ( -8.489 0.315 23.021) 24.538 32.093 ( 2.089 -2.053 -5.047) 5.836 33.985 ( -4.456 1.716 -2.917) 5.595 34.103 ( 7.423 -0.255 4.154) 8.510 34.743 ( -9.481 1.412 -0.273) 9.590 35.308 ( 7.696 -0.343 -4.946) 9.155 ======================= Grid point 216 (106/160) ======================= q-point: (-0.44 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -17.024 -0.000 -3.561) 17.393 1.295 ( -14.819 -0.000 -5.197) 15.703 1.934 ( -6.546 -0.000 -11.042) 12.836 2.340 ( -0.868 -0.000 -2.627) 2.767 2.550 ( -6.982 -0.000 -5.605) 8.954 2.557 ( 13.207 0.000 -15.838) 20.623 2.860 ( -3.142 -0.000 -4.543) 5.524 3.096 ( -12.760 -0.000 7.373) 14.736 3.450 ( 6.810 0.000 2.352) 7.205 3.844 ( -5.995 -0.000 2.957) 6.685 4.038 ( 1.383 0.000 -2.529) 2.882 4.302 ( -12.458 -0.000 7.422) 14.502 4.486 ( 6.842 0.000 -7.490) 10.144 4.546 ( 11.928 0.000 -0.767) 11.952 4.805 ( -7.630 -0.000 -3.512) 8.399 4.950 ( -4.071 -0.000 1.965) 4.521 4.967 ( 5.696 0.000 4.914) 7.523 5.290 ( -5.063 -0.000 4.597) 6.839 5.489 ( -3.675 -0.000 1.756) 4.073 5.857 ( 7.517 0.000 -9.136) 11.831 5.992 ( 4.997 0.000 4.876) 6.982 6.011 ( 3.804 0.000 -8.820) 9.605 6.435 ( 8.214 0.000 3.416) 8.896 6.450 ( 0.364 0.000 -5.331) 5.344 6.863 ( 6.269 0.000 3.671) 7.265 7.048 ( 6.300 0.000 8.332) 10.446 7.212 ( 0.010 0.000 9.560) 9.560 7.316 ( 2.163 0.000 9.702) 9.940 7.826 ( -10.526 -0.000 -9.932) 14.473 8.097 ( 0.546 0.000 -9.348) 9.364 8.568 ( -2.032 -0.000 13.507) 13.659 8.763 ( -4.776 -0.000 -3.317) 5.815 8.778 ( 1.319 0.000 -2.962) 3.242 9.012 ( 5.252 0.000 -0.341) 5.263 9.119 ( -8.810 -0.000 7.648) 11.666 9.528 ( -4.507 -0.000 1.182) 4.660 9.716 ( 5.478 0.000 -3.390) 6.442 9.939 ( 9.102 0.000 -12.738) 15.656 11.066 ( -7.914 -0.000 13.325) 15.498 11.641 ( 0.109 0.000 1.311) 1.316 11.732 ( 3.740 0.000 -7.645) 8.511 12.147 ( -2.147 -0.000 -10.887) 11.097 12.698 ( -0.596 -0.000 6.842) 6.868 13.223 ( 2.661 0.000 -7.664) 8.113 13.446 ( 2.376 0.000 4.538) 5.122 13.679 ( -0.857 -0.000 -3.694) 3.792 15.039 ( -3.861 -0.000 4.587) 5.995 15.206 ( 0.655 0.000 -0.312) 0.726 16.202 ( 5.227 0.000 1.490) 5.435 16.274 ( -1.943 -0.000 -3.326) 3.852 17.418 ( 4.400 0.000 8.226) 9.329 17.508 ( -4.423 -0.000 1.016) 4.538 17.779 ( 2.062 0.000 1.306) 2.441 18.055 ( -0.051 -0.000 -9.113) 9.113 18.543 ( -3.859 -0.000 -2.525) 4.612 18.576 ( 2.007 0.000 -0.268) 2.025 22.090 ( 3.313 0.000 -0.352) 3.331 22.150 ( -3.616 -0.000 -3.011) 4.705 26.661 ( 2.154 0.000 0.164) 2.160 26.734 ( 0.060 0.000 -3.881) 3.881 28.074 ( 1.311 0.000 0.779) 1.525 28.216 ( -2.652 -0.000 -5.126) 5.771 29.066 ( -2.986 -0.000 7.086) 7.689 29.391 ( 0.726 0.000 -1.691) 1.841 29.967 ( -1.901 -0.000 9.963) 10.143 30.077 ( 1.738 0.000 2.429) 2.987 30.881 ( 0.322 0.000 31.032) 31.033 32.151 ( -2.096 -0.000 -13.843) 14.001 34.274 ( 0.144 0.000 5.206) 5.208 34.534 ( 2.355 0.000 -3.555) 4.264 34.535 ( -2.229 -0.000 2.817) 3.592 34.989 ( 1.682 0.000 -10.481) 10.616 ======================= Grid point 217 (107/160) ======================= q-point: (-0.33 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -19.894 -2.896 -5.760) 20.913 1.343 ( -7.996 -13.840 3.130) 16.287 1.857 ( -3.808 -0.050 -5.734) 6.883 2.221 ( -13.633 6.799 -2.339) 15.413 2.416 ( 4.584 1.587 -18.579) 19.202 2.692 ( -4.909 -10.669 -14.861) 18.941 2.989 ( 9.070 -8.025 11.115) 16.438 3.125 ( -7.327 -8.855 4.733) 12.430 3.531 ( 5.148 -1.484 2.252) 5.812 3.830 ( -6.353 -1.631 4.331) 7.860 4.063 ( 4.011 -1.321 -0.065) 4.224 4.206 ( -11.479 1.700 2.448) 11.859 4.418 ( 10.319 7.138 -4.619) 13.370 4.631 ( -3.815 1.231 8.694) 9.574 4.785 ( 0.807 -3.769 -11.425) 12.058 4.860 ( -1.584 4.383 2.928) 5.504 5.076 ( 4.740 -2.403 2.408) 5.835 5.264 ( -3.545 -0.437 2.702) 4.479 5.489 ( -6.659 -1.540 4.588) 8.232 5.797 ( 7.036 6.742 -11.570) 15.127 5.946 ( 3.691 3.704 -4.510) 6.906 6.098 ( 3.516 -1.995 -3.717) 5.492 6.406 ( 0.161 2.785 -6.250) 6.844 6.460 ( 5.897 4.421 3.019) 7.965 6.925 ( 6.517 1.381 7.095) 9.732 7.056 ( -0.179 2.591 2.712) 3.755 7.235 ( 0.062 0.649 10.026) 10.047 7.325 ( -0.286 2.587 7.475) 7.916 7.678 ( -9.184 3.150 -6.533) 11.703 8.072 ( 0.059 -0.232 -11.839) 11.841 8.532 ( -3.486 4.247 9.171) 10.690 8.665 ( -1.220 3.497 1.725) 4.086 8.830 ( 2.205 -1.984 -4.648) 5.514 9.024 ( -1.886 0.226 -2.449) 3.099 9.180 ( 0.061 -5.324 9.157) 10.593 9.488 ( -3.475 0.772 2.752) 4.499 9.788 ( 5.596 -2.850 -4.039) 7.467 9.972 ( 8.569 -0.488 -12.426) 15.102 11.055 ( -6.544 -0.110 14.170) 15.609 11.649 ( 0.231 -0.032 4.769) 4.775 11.754 ( 5.222 -1.490 -8.199) 9.835 12.122 ( -0.880 -1.959 -10.327) 10.548 12.705 ( -0.698 1.076 6.920) 7.038 13.188 ( 1.837 2.513 -8.405) 8.963 13.494 ( 1.903 -1.672 4.607) 5.257 13.661 ( -1.946 -0.443 -4.291) 4.733 15.025 ( -3.000 0.281 4.500) 5.416 15.201 ( 0.668 0.980 -0.230) 1.208 16.273 ( 5.848 -2.296 2.097) 6.623 16.297 ( -1.432 -4.903 -3.511) 6.198 17.389 ( 0.190 4.982 8.624) 9.962 17.547 ( -1.130 -2.347 1.505) 3.008 17.778 ( 1.667 1.986 1.608) 3.051 18.009 ( -0.469 0.928 -10.472) 10.523 18.474 ( -4.915 2.048 -0.812) 5.386 18.608 ( 1.759 -1.146 -1.598) 2.638 22.105 ( 1.174 -0.345 0.591) 1.359 22.147 ( -0.904 -2.032 -2.634) 3.447 26.656 ( 0.156 2.184 -0.618) 2.275 26.717 ( 0.314 -0.248 -3.122) 3.148 28.100 ( 2.192 -0.893 0.885) 2.527 28.177 ( -2.006 0.544 -4.206) 4.692 29.043 ( -3.250 1.669 5.586) 6.675 29.361 ( -0.455 2.284 -2.607) 3.496 29.982 ( 1.898 1.731 7.701) 8.119 30.071 ( 1.800 3.149 2.470) 4.388 31.035 ( 2.250 -2.592 33.925) 34.098 32.095 ( 0.697 0.266 -14.038) 14.058 34.219 ( 0.198 6.325 4.526) 7.780 34.340 ( -4.503 8.643 -2.907) 10.170 34.701 ( 1.146 -6.528 2.147) 6.967 35.034 ( 1.538 -7.050 -10.965) 13.126 ======================= Grid point 218 (108/160) ======================= q-point: (-0.22 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -11.355 -10.181 -6.426) 16.550 1.623 ( -1.898 -15.537 2.894) 15.918 1.844 ( -4.198 -3.221 -3.621) 6.412 1.962 ( -15.055 5.768 -4.501) 16.739 2.418 ( 11.915 0.193 -10.945) 16.180 2.803 ( -8.216 -11.073 -10.696) 17.450 3.210 ( 3.825 -2.559 14.716) 15.419 3.276 ( -6.844 -7.568 8.132) 13.048 3.620 ( 8.702 -5.785 -6.566) 12.341 3.828 ( -8.249 -2.434 5.604) 10.265 4.128 ( -1.481 0.863 2.828) 3.307 4.151 ( 3.931 -4.195 0.395) 5.763 4.356 ( 5.585 5.342 -1.034) 7.797 4.583 ( -9.407 0.407 15.033) 17.739 4.731 ( -3.730 2.590 -6.157) 7.651 4.881 ( 3.244 -2.996 -7.364) 8.586 5.078 ( 2.877 6.551 -4.721) 8.572 5.298 ( -2.509 -4.846 2.435) 5.976 5.443 ( -5.384 1.975 7.299) 9.282 5.708 ( 4.638 2.571 -9.912) 11.242 5.892 ( 5.038 3.865 -6.521) 9.102 6.098 ( 4.677 2.735 -6.586) 8.528 6.282 ( -6.358 5.497 -7.101) 11.003 6.409 ( 7.490 7.031 5.523) 11.663 6.891 ( -0.673 5.484 3.156) 6.363 7.020 ( -0.503 2.939 0.299) 2.996 7.233 ( -2.780 2.553 4.300) 5.721 7.295 ( 0.523 2.259 6.396) 6.804 7.614 ( -3.491 -4.120 2.951) 6.154 8.018 ( -0.452 1.312 -13.680) 13.750 8.476 ( -2.622 0.879 7.707) 8.188 8.646 ( 1.019 -0.151 4.651) 4.764 8.836 ( 3.567 1.866 -4.858) 6.309 9.000 ( -2.877 -0.531 -4.796) 5.618 9.259 ( -1.646 -0.844 6.174) 6.446 9.484 ( -1.767 -0.459 6.387) 6.642 9.845 ( 3.768 -0.626 -4.926) 6.233 10.000 ( 7.540 -0.287 -12.388) 14.505 11.068 ( -5.116 -0.835 14.615) 15.507 11.680 ( 0.104 -0.832 6.834) 6.885 11.803 ( 6.970 -1.339 -8.875) 11.364 12.123 ( 0.364 -1.496 -9.126) 9.255 12.695 ( -0.665 1.789 6.444) 6.721 13.119 ( 1.768 2.655 -9.067) 9.612 13.559 ( 1.106 -2.030 4.420) 4.989 13.635 ( -2.883 -0.429 -4.100) 5.031 15.017 ( -2.097 -0.116 3.654) 4.214 15.180 ( 0.558 1.661 -0.156) 1.759 16.375 ( 3.716 -3.333 1.849) 5.323 16.399 ( 0.486 -7.019 -3.134) 7.703 17.332 ( -1.911 3.709 11.105) 11.863 17.530 ( -5.098 1.447 0.771) 5.356 17.748 ( 2.292 3.789 2.799) 5.239 17.974 ( 1.757 -1.021 -9.845) 10.052 18.407 ( -4.523 1.137 0.757) 4.725 18.615 ( 0.992 1.017 -2.625) 2.985 22.135 ( -1.072 -2.211 -1.697) 2.986 22.183 ( 2.725 -1.674 1.306) 3.454 26.593 ( -2.668 2.342 -0.668) 3.612 26.733 ( 2.021 -0.989 -1.934) 2.967 28.124 ( 0.800 0.830 -0.501) 1.257 28.153 ( 0.566 -0.911 -2.399) 2.628 29.013 ( -1.421 0.638 2.207) 2.701 29.289 ( -0.473 3.726 -3.912) 5.423 29.976 ( 2.055 2.852 5.706) 6.702 30.015 ( 1.539 4.359 1.409) 4.833 31.182 ( -1.147 -0.396 30.714) 30.738 32.064 ( 2.758 -0.096 -11.261) 11.594 34.100 ( -4.103 4.872 -0.863) 6.428 34.190 ( 1.720 5.056 1.794) 5.634 34.756 ( -5.861 -1.145 -0.277) 5.978 35.182 ( 6.451 -7.351 -7.560) 12.362 ======================= Grid point 219 (109/160) ======================= q-point: (-0.11 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -3.225 -7.442 -3.422) 8.803 1.722 ( -20.684 -3.166 -4.461) 21.395 1.869 ( 5.793 -4.107 -6.466) 9.604 1.909 ( 3.330 -3.972 -5.023) 7.218 2.484 ( 8.229 0.664 1.263) 8.352 2.891 ( -7.206 -6.908 -8.195) 12.915 3.234 ( -5.079 0.789 12.698) 13.699 3.345 ( -1.597 -0.860 9.685) 9.854 3.797 ( 6.268 -4.515 -4.801) 9.095 3.865 ( -1.928 -5.999 3.445) 7.181 4.169 ( 8.175 2.126 4.712) 9.672 4.263 ( -3.846 -1.914 3.965) 5.847 4.300 ( 1.260 -4.463 -1.421) 4.850 4.601 ( -6.464 -0.561 9.803) 11.756 4.639 ( -9.110 -1.828 1.340) 9.388 4.864 ( 0.704 5.580 -15.787) 16.758 4.940 ( 4.221 3.681 0.525) 5.626 5.369 ( -4.833 0.469 3.852) 6.198 5.453 ( 3.226 -7.351 -0.442) 8.040 5.695 ( 2.654 0.306 -7.220) 7.698 5.840 ( 4.849 3.211 -5.461) 7.978 6.008 ( 2.752 9.915 -4.931) 11.410 6.145 ( -4.308 -2.212 -8.970) 10.194 6.354 ( 7.244 7.319 8.074) 13.086 6.777 ( -5.355 3.672 -2.320) 6.895 6.937 ( -0.968 4.481 -1.465) 4.813 7.142 ( -2.173 4.738 2.313) 5.702 7.261 ( 0.748 4.775 5.378) 7.231 7.750 ( -1.206 -8.313 2.434) 8.745 7.942 ( -0.547 1.509 -10.284) 10.408 8.529 ( -0.523 -3.819 9.942) 10.663 8.689 ( 1.904 -1.510 2.311) 3.353 8.801 ( 4.095 3.167 -2.849) 5.909 8.957 ( -2.607 0.524 -7.141) 7.620 9.274 ( -3.531 -1.747 5.910) 7.103 9.494 ( -2.390 0.360 8.229) 8.577 9.831 ( 2.423 2.539 -5.596) 6.605 10.012 ( 6.012 0.321 -11.621) 13.088 11.100 ( -4.714 -1.301 14.242) 15.058 11.712 ( -0.829 -0.311 5.342) 5.415 11.838 ( 6.718 0.203 -8.754) 11.036 12.126 ( 1.900 -1.121 -7.479) 7.798 12.672 ( -0.844 2.125 5.542) 5.995 13.069 ( 2.627 1.119 -9.365) 9.791 13.576 ( -2.809 0.607 -0.315) 2.891 13.643 ( 0.357 -2.374 0.911) 2.568 15.023 ( -1.347 -0.860 2.465) 2.938 15.149 ( 0.331 1.850 0.004) 1.880 16.434 ( 0.756 -0.044 1.234) 1.448 16.528 ( 0.745 -7.092 -4.256) 8.304 17.288 ( -4.075 2.975 12.171) 13.175 17.489 ( -4.265 -1.684 3.947) 6.050 17.682 ( 0.933 5.259 2.185) 5.771 18.009 ( 4.984 -2.488 -7.526) 9.364 18.365 ( -3.288 0.620 1.065) 3.511 18.574 ( -0.297 2.338 -2.650) 3.546 22.144 ( -1.632 -0.771 -2.622) 3.183 22.257 ( 3.520 -2.238 3.257) 5.292 26.541 ( -2.735 0.720 0.334) 2.848 26.761 ( 2.410 -0.685 -2.135) 3.291 28.100 ( -0.261 0.750 -2.337) 2.468 28.178 ( 1.810 -0.597 -0.399) 1.948 29.018 ( 1.074 -1.085 -1.193) 1.937 29.197 ( -0.155 4.063 -4.871) 6.345 29.948 ( 2.023 3.391 -0.050) 3.949 29.957 ( 0.135 2.384 3.907) 4.579 31.234 ( -6.343 1.349 25.916) 26.715 32.067 ( 3.399 -0.844 -7.197) 8.004 33.988 ( -4.367 2.818 -2.538) 5.784 34.184 ( 7.732 1.118 4.768) 9.152 34.682 ( -10.437 1.106 -2.980) 10.911 35.316 ( 6.819 -3.434 -4.906) 9.075 ======================= Grid point 226 (110/160) ======================= q-point: (-0.33 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -19.969 -0.000 6.737) 21.075 1.047 ( -17.308 -0.000 7.080) 18.700 1.762 ( -12.867 -0.000 -4.835) 13.746 2.312 ( -14.781 -0.000 -4.073) 15.332 2.315 ( 3.125 0.000 -7.710) 8.320 2.439 ( -4.032 -0.000 -22.934) 23.286 3.001 ( -5.055 -0.000 4.124) 6.524 3.041 ( 15.496 0.000 11.269) 19.161 3.593 ( 7.407 0.000 5.653) 9.318 3.779 ( -7.460 -0.000 3.149) 8.098 4.101 ( 6.383 0.000 0.857) 6.440 4.127 ( -11.495 -0.000 2.070) 11.680 4.550 ( 7.390 0.000 -7.404) 10.461 4.681 ( -7.929 -0.000 2.356) 8.272 4.684 ( 5.938 0.000 1.471) 6.118 4.923 ( 1.718 0.000 -4.127) 4.471 5.096 ( 5.018 0.000 9.775) 10.988 5.252 ( -2.797 -0.000 0.905) 2.939 5.423 ( -7.387 -0.000 4.128) 8.463 5.847 ( 1.927 0.000 -16.060) 16.175 6.030 ( -0.492 -0.000 -2.496) 2.544 6.084 ( 10.525 0.000 -3.948) 11.241 6.417 ( 1.046 0.000 -9.164) 9.223 6.526 ( 2.490 0.000 -0.342) 2.513 7.012 ( 5.924 0.000 7.888) 9.865 7.087 ( -3.232 -0.000 -2.190) 3.905 7.266 ( -0.928 -0.000 9.791) 9.835 7.319 ( -7.605 -0.000 -2.892) 8.136 7.655 ( -5.156 -0.000 1.482) 5.365 8.024 ( -0.522 -0.000 -12.189) 12.200 8.577 ( -5.579 -0.000 7.384) 9.255 8.691 ( -2.554 -0.000 -1.020) 2.750 8.812 ( 3.941 0.000 1.452) 4.200 9.077 ( -5.313 -0.000 10.471) 11.742 9.097 ( 5.592 0.000 -0.281) 5.599 9.476 ( -2.633 -0.000 1.213) 2.900 9.819 ( 10.737 0.000 -2.266) 10.974 9.993 ( 8.246 0.000 -11.894) 14.473 11.057 ( -5.430 -0.000 15.304) 16.238 11.671 ( 0.815 0.000 6.417) 6.468 11.750 ( 5.264 0.000 -7.973) 9.554 12.065 ( 0.455 0.000 -9.483) 9.494 12.732 ( -1.002 -0.000 7.021) 7.092 13.196 ( 1.106 0.000 -9.038) 9.105 13.505 ( 1.373 0.000 4.497) 4.703 13.624 ( -2.386 -0.000 -5.475) 5.972 15.026 ( -2.065 -0.000 5.455) 5.833 15.214 ( 0.510 0.000 0.058) 0.513 16.227 ( -1.133 -0.000 -3.431) 3.613 16.301 ( 6.239 0.000 0.985) 6.317 17.463 ( -2.417 -0.000 0.698) 2.516 17.542 ( 4.410 0.000 7.967) 9.107 17.811 ( 1.090 0.000 1.865) 2.160 17.974 ( -1.636 -0.000 -11.982) 12.094 18.451 ( -5.954 -0.000 -1.998) 6.280 18.595 ( 0.515 0.000 -0.149) 0.536 22.076 ( -3.165 -0.000 -2.971) 4.341 22.146 ( 3.469 0.000 1.321) 3.712 26.686 ( -2.412 -0.000 -5.191) 5.724 26.691 ( 1.670 0.000 -0.210) 1.683 28.108 ( 2.167 0.000 1.242) 2.497 28.160 ( -0.914 -0.000 -2.666) 2.818 29.049 ( -5.017 -0.000 6.401) 8.133 29.363 ( -2.151 -0.000 -2.635) 3.401 30.053 ( 5.680 0.000 5.110) 7.640 30.139 ( 3.044 0.000 4.243) 5.222 31.197 ( 11.043 0.000 42.384) 43.799 32.063 ( 3.675 0.000 -15.757) 16.180 34.296 ( -1.037 -0.000 4.210) 4.335 34.504 ( -4.811 -0.000 3.784) 6.121 34.540 ( 1.611 0.000 -4.671) 4.941 34.892 ( -4.268 -0.000 -14.717) 15.323 ======================= Grid point 227 (111/160) ======================= q-point: (-0.22 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( -19.822 -4.476 5.688) 21.102 1.276 ( -8.677 -19.198 13.159) 24.840 1.654 ( -19.261 -3.567 -3.035) 19.822 2.057 ( -2.247 9.040 -3.096) 9.816 2.406 ( 7.981 -4.937 -14.301) 17.106 2.470 ( -11.091 -10.954 -10.232) 18.646 3.082 ( -3.711 -9.280 7.259) 12.352 3.250 ( 11.296 -3.815 12.399) 17.202 3.626 ( 4.824 1.503 -0.265) 5.060 3.754 ( -5.106 -2.322 5.082) 7.569 4.088 ( -4.019 -2.043 0.822) 4.582 4.155 ( 5.336 -0.408 1.550) 5.572 4.520 ( 6.498 5.519 -3.909) 9.379 4.591 ( -9.198 2.797 12.131) 15.479 4.769 ( 4.038 0.942 -7.185) 8.296 4.836 ( -0.669 3.054 -3.151) 4.439 5.186 ( 5.021 1.062 3.930) 6.464 5.231 ( -2.862 -0.961 1.515) 3.378 5.413 ( -6.829 -2.571 6.710) 9.913 5.754 ( 0.862 3.797 -15.173) 15.664 5.981 ( 1.308 2.955 -5.610) 6.474 6.125 ( 6.120 1.804 -7.022) 9.488 6.339 ( -2.057 4.850 -8.859) 10.307 6.531 ( 2.241 0.961 0.429) 2.476 6.974 ( -6.499 5.078 -7.178) 10.934 7.066 ( 2.556 1.021 3.857) 4.738 7.235 ( -7.764 0.268 -1.040) 7.838 7.307 ( -1.313 -1.892 5.291) 5.770 7.604 ( -2.900 2.748 9.680) 10.472 7.986 ( 0.289 -0.056 -13.004) 13.007 8.517 ( -3.936 3.074 7.073) 8.658 8.664 ( -1.422 0.757 2.072) 2.624 8.863 ( 3.927 -0.536 -2.063) 4.468 9.002 ( -0.708 2.943 5.105) 5.935 9.224 ( -0.259 -3.928 1.770) 4.316 9.477 ( -0.410 -0.922 3.725) 3.859 9.886 ( 9.589 1.251 -2.279) 9.935 10.011 ( 6.921 0.094 -11.934) 13.796 11.075 ( -4.047 -0.123 16.019) 16.523 11.699 ( 0.917 0.233 6.760) 6.826 11.797 ( 7.030 -2.377 -6.745) 10.028 12.066 ( 1.648 -1.904 -8.457) 8.824 12.737 ( -1.028 0.996 6.498) 6.654 13.148 ( 0.901 2.276 -9.573) 9.881 13.544 ( 0.683 -1.591 4.234) 4.574 13.589 ( -3.071 -0.417 -5.356) 6.188 15.025 ( -1.062 0.761 5.367) 5.523 15.209 ( 0.337 0.996 0.224) 1.075 16.255 ( -0.644 -4.629 -3.670) 5.942 16.378 ( 5.767 -2.609 1.072) 6.420 17.421 ( -1.174 2.846 3.472) 4.640 17.549 ( -2.450 3.645 4.483) 6.276 17.818 ( 1.175 1.333 2.209) 2.835 17.931 ( 0.612 -1.252 -9.501) 9.603 18.389 ( -5.472 0.819 0.214) 5.537 18.611 ( -0.011 -0.936 -1.943) 2.157 22.071 ( -1.521 -2.345 -2.751) 3.922 22.186 ( 3.158 -1.053 1.964) 3.865 26.614 ( -3.279 2.640 -2.919) 5.123 26.718 ( 1.226 -1.293 -1.476) 2.313 28.138 ( 0.587 -0.078 -1.178) 1.318 28.146 ( 2.042 -0.006 0.473) 2.096 29.018 ( -4.341 0.857 4.678) 6.439 29.319 ( -2.131 1.747 -3.472) 4.432 30.085 ( 6.345 3.111 2.816) 7.607 30.129 ( 2.068 4.564 5.289) 7.285 31.379 ( 10.479 6.642 40.528) 42.385 32.052 ( 6.195 -0.184 -14.129) 15.429 34.198 ( -7.412 11.455 -1.549) 13.731 34.280 ( -0.054 2.619 2.310) 3.493 34.692 ( -3.175 -1.871 -0.968) 3.810 34.969 ( 0.144 -15.544 -12.843) 20.164 ======================= Grid point 228 (112/160) ======================= q-point: (-0.11 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -5.066 -17.163 1.006) 17.923 1.434 ( -22.403 -7.378 3.640) 23.866 1.714 ( 0.583 -11.291 -3.306) 11.780 1.937 ( 3.785 3.608 -4.422) 6.848 2.517 ( -5.011 -4.106 -4.939) 8.146 2.601 ( 2.455 -12.745 -6.098) 14.341 3.216 ( -7.438 -2.819 12.234) 14.592 3.354 ( 1.774 -0.882 9.222) 9.433 3.739 ( 9.751 -6.920 -2.943) 12.314 3.804 ( 1.573 -1.948 5.436) 5.985 4.139 ( -0.239 -5.051 2.229) 5.526 4.217 ( 3.383 -2.039 0.502) 3.981 4.420 ( 1.338 7.738 1.864) 8.071 4.542 ( -7.970 0.141 15.135) 17.106 4.624 ( -3.445 5.120 -5.444) 8.229 4.866 ( 2.272 -1.419 -8.464) 8.878 5.057 ( -4.799 8.049 -2.498) 9.699 5.327 ( 3.706 -4.844 6.377) 8.824 5.433 ( -0.656 0.699 1.974) 2.195 5.674 ( 0.150 0.019 -10.768) 10.769 5.930 ( 4.505 2.163 -6.471) 8.176 6.071 ( -1.890 2.556 -9.551) 10.066 6.177 ( 0.194 7.615 -5.023) 9.124 6.520 ( 3.160 3.327 3.039) 5.504 6.803 ( -6.689 4.174 -7.864) 11.136 6.983 ( -5.604 5.725 -3.869) 8.896 7.204 ( -1.760 0.124 4.715) 5.034 7.333 ( -1.575 0.739 3.135) 3.585 7.623 ( -1.104 -3.334 7.294) 8.095 7.939 ( 1.747 1.393 -11.070) 11.294 8.502 ( -0.480 -1.103 8.999) 9.079 8.672 ( -0.694 -1.647 2.308) 2.919 8.849 ( -0.020 1.142 -5.652) 5.766 8.990 ( 4.661 3.195 3.486) 6.640 9.237 ( -3.881 -0.380 1.205) 4.082 9.505 ( -1.830 -0.212 6.498) 6.754 9.897 ( 6.085 2.869 -2.663) 7.235 10.016 ( 5.108 -0.070 -12.250) 13.273 11.101 ( -3.802 -0.309 15.324) 15.792 11.721 ( 0.107 -0.089 4.921) 4.923 11.865 ( 7.529 -0.608 -7.014) 10.308 12.090 ( 2.350 -1.711 -7.195) 7.761 12.721 ( -1.315 1.832 5.301) 5.760 13.083 ( 2.024 1.886 -9.811) 10.193 13.556 ( -2.580 -0.108 -2.646) 3.698 13.601 ( 0.007 -2.620 2.657) 3.732 15.020 ( -0.737 0.511 4.269) 4.363 15.185 ( 0.176 1.701 0.210) 1.723 16.350 ( -0.190 -6.718 -4.658) 8.177 16.465 ( 2.924 -1.966 1.319) 3.762 17.371 ( -0.990 3.373 7.308) 8.109 17.456 ( -7.225 1.936 5.687) 9.397 17.771 ( -0.564 3.621 -0.576) 3.710 17.984 ( 6.117 -2.688 -4.066) 7.822 18.348 ( -3.933 0.150 1.264) 4.134 18.596 ( -0.835 1.277 -3.055) 3.415 22.103 ( 0.028 -2.055 -2.819) 3.488 22.247 ( 2.499 -2.178 2.332) 4.053 26.542 ( -2.893 1.585 -0.400) 3.323 26.749 ( 1.506 -1.456 -2.037) 2.922 28.116 ( 0.781 1.419 -1.533) 2.230 28.180 ( 1.835 -0.651 0.621) 2.044 29.001 ( -1.434 -0.604 0.926) 1.811 29.246 ( -1.290 3.131 -4.431) 5.577 30.053 ( -0.047 5.787 6.403) 8.631 30.055 ( 5.193 5.002 -0.064) 7.211 31.367 ( -2.824 8.444 31.579) 32.810 32.069 ( 6.998 -0.097 -9.472) 11.777 34.003 ( -5.486 3.617 -2.194) 6.928 34.276 ( 5.556 0.972 4.485) 7.206 34.622 ( -8.570 1.902 -4.562) 9.893 35.218 ( 3.968 -10.413 -8.279) 13.882 ======================= Grid point 236 (113/160) ======================= q-point: (-0.22 -0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -3.638 -0.000 32.418) 32.622 0.905 ( -12.307 -0.000 20.391) 23.817 1.425 ( -29.376 -0.000 4.550) 29.726 2.143 ( -4.255 -0.000 -5.563) 7.004 2.235 ( -3.809 -0.000 -14.466) 14.959 2.364 ( 9.334 0.000 -10.096) 13.749 2.981 ( -2.846 -0.000 7.946) 8.440 3.338 ( 8.640 0.000 13.487) 16.017 3.639 ( -7.483 -0.000 0.108) 7.484 3.753 ( 9.851 0.000 3.463) 10.442 4.048 ( -0.657 -0.000 0.735) 0.986 4.190 ( 2.729 0.000 2.670) 3.818 4.570 ( -9.814 -0.000 13.020) 16.304 4.627 ( 7.204 0.000 -11.496) 13.567 4.764 ( 2.059 0.000 4.773) 5.198 4.914 ( 1.937 0.000 -11.189) 11.355 5.202 ( -3.754 -0.000 -2.082) 4.293 5.252 ( 5.681 0.000 12.803) 14.007 5.326 ( -9.290 -0.000 5.169) 10.631 5.748 ( 0.816 0.000 -18.086) 18.104 5.962 ( -3.981 -0.000 -6.779) 7.862 6.209 ( 9.835 0.000 -7.739) 12.515 6.339 ( -3.004 -0.000 -10.274) 10.705 6.524 ( -1.004 -0.000 -1.573) 1.866 6.924 ( -9.324 -0.000 -14.926) 17.599 7.076 ( -1.608 -0.000 -1.403) 2.134 7.153 ( -9.147 -0.000 -2.046) 9.373 7.299 ( -3.120 -0.000 6.498) 7.209 7.655 ( -1.313 -0.000 11.379) 11.455 7.947 ( 0.706 0.000 -8.994) 9.022 8.544 ( -3.780 -0.000 6.875) 7.846 8.672 ( -0.396 -0.000 1.525) 1.575 8.882 ( 2.648 0.000 0.742) 2.750 9.078 ( -4.092 -0.000 12.952) 13.583 9.169 ( 5.982 0.000 -4.682) 7.596 9.482 ( 1.173 0.000 3.837) 4.012 9.966 ( 7.608 0.000 -7.071) 10.387 10.054 ( 11.903 0.000 -7.942) 14.309 11.106 ( -2.581 -0.000 17.333) 17.524 11.752 ( 1.676 0.000 11.067) 11.193 11.785 ( 6.212 0.000 -7.878) 10.032 12.037 ( 3.059 0.000 -7.397) 8.005 12.758 ( -1.558 -0.000 5.856) 6.060 13.144 ( 0.522 0.000 -10.031) 10.044 13.542 ( -2.987 -0.000 -5.510) 6.267 13.545 ( 0.144 0.000 3.857) 3.860 15.058 ( 1.650 0.000 6.230) 6.445 15.221 ( 0.050 0.000 0.639) 0.641 16.198 ( 0.165 0.000 -3.022) 3.026 16.390 ( 4.779 0.000 -0.496) 4.804 17.435 ( -1.273 -0.000 -1.079) 1.669 17.594 ( -5.642 -0.000 -0.061) 5.642 17.846 ( 1.175 0.000 3.891) 4.065 17.892 ( 3.051 0.000 -5.204) 6.032 18.355 ( -5.296 -0.000 0.278) 5.303 18.587 ( -1.219 -0.000 -0.816) 1.467 22.025 ( -1.222 -0.000 -1.869) 2.233 22.203 ( 2.254 0.000 1.477) 2.695 26.602 ( -4.011 -0.000 -3.904) 5.597 26.706 ( 0.771 0.000 -1.167) 1.399 28.151 ( 2.062 0.000 1.413) 2.499 28.162 ( 2.601 0.000 -0.388) 2.630 29.004 ( -5.885 -0.000 5.657) 8.163 29.304 ( -2.539 -0.000 -3.524) 4.344 30.179 ( 7.534 0.000 1.323) 7.650 30.212 ( 1.947 0.000 5.673) 5.998 31.801 ( 30.413 0.000 42.578) 52.324 32.061 ( 9.486 0.000 -14.951) 17.706 34.303 ( -1.129 -0.000 2.493) 2.737 34.440 ( -6.825 -0.000 4.651) 8.259 34.458 ( -10.170 -0.000 -16.320) 19.229 34.681 ( -7.733 -0.000 -9.214) 12.029 ======================= Grid point 237 (114/160) ======================= q-point: (-0.11 -0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -0.625 0.852 29.714) 29.733 1.176 ( -18.378 -5.668 14.957) 24.363 1.430 ( -7.157 -18.191 9.664) 21.807 2.033 ( -0.561 5.505 -5.277) 7.646 2.246 ( -4.597 -7.057 -12.009) 14.668 2.491 ( 9.247 -8.097 -4.564) 13.111 3.098 ( -2.179 -8.530 11.252) 14.287 3.372 ( -7.260 -0.017 9.195) 11.715 3.698 ( 10.028 -4.204 3.749) 11.502 3.842 ( 9.383 -0.233 2.675) 9.760 4.075 ( 2.013 -2.030 -1.752) 3.353 4.217 ( 0.774 -0.653 2.242) 2.460 4.499 ( -11.371 3.391 14.875) 19.028 4.603 ( 4.951 3.634 -4.122) 7.397 4.755 ( -0.979 9.451 -4.006) 10.312 4.819 ( 0.004 -1.893 -3.295) 3.800 5.121 ( -7.432 4.646 -2.756) 9.188 5.276 ( -2.172 -3.385 4.642) 6.142 5.429 ( 3.616 -4.864 8.744) 10.640 5.658 ( 0.507 3.298 -15.301) 15.660 5.901 ( -3.575 -0.299 -8.958) 9.650 6.179 ( 6.617 6.840 -8.232) 12.583 6.248 ( -1.973 2.791 -6.979) 7.771 6.545 ( -0.019 -1.914 -0.379) 1.952 6.766 ( -9.100 2.842 -14.519) 17.369 7.017 ( -7.872 3.025 -4.694) 9.652 7.120 ( -5.919 -4.531 -4.217) 8.564 7.295 ( -4.650 -1.260 1.798) 5.142 7.676 ( 2.504 2.192 13.791) 14.187 7.939 ( 2.346 -0.077 -6.661) 7.063 8.535 ( -0.316 0.757 8.727) 8.765 8.664 ( -0.140 0.887 2.681) 2.828 8.853 ( -2.666 2.678 -2.580) 4.575 9.098 ( 4.081 0.537 11.354) 12.077 9.211 ( 1.476 -0.239 -5.702) 5.895 9.512 ( 0.380 -0.153 5.756) 5.771 9.974 ( 3.479 0.212 -8.679) 9.353 10.063 ( 9.888 5.256 -6.200) 12.800 11.133 ( -3.079 0.885 16.709) 17.013 11.751 ( 0.813 1.559 4.577) 4.903 11.871 ( 6.286 -2.759 -3.941) 7.915 12.058 ( 3.728 -1.500 -6.551) 7.685 12.748 ( -2.892 0.971 4.119) 5.126 13.099 ( 1.680 1.476 -10.129) 10.373 13.519 ( -1.231 -0.890 -3.288) 3.622 13.570 ( -0.533 -1.523 3.320) 3.691 15.069 ( 2.128 2.506 5.634) 6.523 15.213 ( -0.157 1.026 0.735) 1.272 16.232 ( 0.708 -4.137 -3.080) 5.206 16.447 ( 2.811 -2.329 -1.096) 3.811 17.395 ( -4.427 1.679 -0.171) 4.738 17.494 ( -7.161 2.491 2.767) 8.072 17.823 ( 0.723 3.126 1.198) 3.425 17.977 ( 7.558 -2.829 0.842) 8.114 18.323 ( -3.810 -0.064 1.393) 4.058 18.583 ( -1.444 -0.631 -2.695) 3.122 22.049 ( 0.834 -2.909 -2.053) 3.657 22.231 ( 0.805 -1.346 0.862) 1.790 26.548 ( -2.914 1.386 -1.051) 3.394 26.721 ( 0.518 -1.457 -1.995) 2.524 28.156 ( 2.442 1.469 0.264) 2.862 28.189 ( 2.540 -0.142 0.759) 2.655 28.979 ( -4.321 -0.259 3.703) 5.697 29.261 ( -1.832 1.372 -4.127) 4.720 30.178 ( 1.785 5.089 3.550) 6.456 30.206 ( 5.180 4.535 3.146) 7.570 31.805 ( 8.322 25.859 30.655) 40.959 32.115 ( 12.591 0.861 -8.054) 14.971 34.032 ( -9.822 6.846 -3.429) 12.454 34.313 ( 0.399 -0.808 2.929) 3.065 34.599 ( -4.857 2.140 -5.533) 7.668 34.872 ( -2.361 -24.819 -10.570) 27.080 ======================= Grid point 246 (115/160) ======================= q-point: (-0.11 -0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -2.290 -0.000 24.052) 24.161 1.026 ( -28.358 -0.000 16.241) 32.679 1.202 ( 14.333 0.000 38.782) 41.346 2.067 ( -1.341 -0.000 -5.047) 5.222 2.131 ( 2.308 0.000 -13.482) 13.678 2.471 ( 9.976 0.000 -4.239) 10.839 3.014 ( -1.990 -0.000 12.546) 12.703 3.312 ( -11.772 -0.000 5.773) 13.112 3.786 ( 15.810 0.000 9.768) 18.584 3.917 ( 8.435 0.000 -0.382) 8.444 4.077 ( 3.722 0.000 -0.660) 3.780 4.221 ( 0.195 0.000 2.889) 2.895 4.498 ( -12.448 -0.000 17.899) 21.802 4.666 ( 6.381 0.000 -10.315) 12.129 4.765 ( -6.919 -0.000 2.330) 7.300 4.827 ( -2.929 -0.000 -7.819) 8.350 5.094 ( -8.081 -0.000 -3.620) 8.855 5.218 ( -8.087 -0.000 3.801) 8.936 5.425 ( 6.341 0.000 10.014) 11.853 5.676 ( 5.663 0.000 -13.605) 14.737 5.840 ( -5.151 -0.000 -7.248) 8.891 6.222 ( -2.706 -0.000 -6.838) 7.354 6.286 ( 7.582 0.000 -10.875) 13.257 6.501 ( -0.248 -0.000 -1.108) 1.135 6.678 ( -9.069 -0.000 -13.359) 16.147 6.935 ( -9.801 -0.000 -13.574) 16.743 7.006 ( -8.388 -0.000 -2.813) 8.847 7.243 ( -5.894 -0.000 -1.325) 6.041 7.780 ( 6.138 0.000 14.466) 15.714 7.937 ( 1.457 0.000 -0.350) 1.499 8.564 ( 0.047 0.000 7.170) 7.170 8.692 ( 1.010 0.000 2.692) 2.875 8.869 ( -4.826 -0.000 2.127) 5.274 9.153 ( 2.957 0.000 11.349) 11.728 9.221 ( 6.912 0.000 -8.971) 11.324 9.543 ( 1.380 0.000 6.887) 7.024 9.953 ( 1.042 0.000 -11.214) 11.262 10.198 ( 10.442 0.000 -8.540) 13.489 11.180 ( -3.317 -0.000 16.579) 16.907 11.823 ( -3.008 -0.000 9.542) 10.005 11.832 ( 6.250 0.000 -7.083) 9.446 12.056 ( 5.063 0.000 -5.629) 7.571 12.737 ( -5.305 -0.000 2.166) 5.730 13.089 ( 1.366 0.000 -10.293) 10.383 13.502 ( 1.882 0.000 -1.267) 2.269 13.559 ( -1.151 -0.000 2.832) 3.057 15.156 ( 5.756 0.000 4.051) 7.039 15.224 ( -0.449 -0.000 1.126) 1.212 16.193 ( 1.490 0.000 -1.919) 2.429 16.430 ( 1.526 0.000 -2.348) 2.800 17.388 ( -15.650 -0.000 -0.371) 15.654 17.409 ( -0.488 -0.000 -2.268) 2.320 17.895 ( 0.825 0.000 5.401) 5.464 18.025 ( 12.702 0.000 1.038) 12.744 18.302 ( -2.584 -0.000 1.742) 3.116 18.550 ( -2.165 -0.000 -2.015) 2.958 22.019 ( 1.355 0.000 -0.269) 1.382 22.217 ( -1.089 -0.000 -0.437) 1.173 26.539 ( -1.748 -0.000 -0.256) 1.766 26.700 ( -0.055 -0.000 -2.183) 2.183 28.183 ( 0.933 0.000 1.214) 1.531 28.229 ( 6.111 0.000 -0.389) 6.123 28.952 ( -5.387 -0.000 5.165) 7.463 29.247 ( -1.433 -0.000 -4.090) 4.333 30.261 ( -0.845 -0.000 5.880) 5.941 30.291 ( 6.308 0.000 0.702) 6.347 32.154 ( 13.908 0.000 -11.136) 17.816 32.453 ( 15.273 0.000 9.306) 17.884 34.023 ( -19.304 -0.000 -8.724) 21.184 34.265 ( -5.924 -0.000 -0.250) 5.930 34.394 ( -2.583 -0.000 5.612) 6.178 34.614 ( -0.074 -0.000 -2.022) 2.023 ======================= Grid point 247 (116/160) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -7.264 -0.000 21.705) 22.888 1.425 ( 5.233 0.000 10.920) 12.109 1.644 ( -1.281 -0.000 -6.819) 6.938 1.767 ( 5.524 0.000 -19.226) 20.004 2.479 ( 17.068 0.000 14.918) 22.668 2.589 ( -8.587 -0.000 1.633) 8.740 3.307 ( -5.804 -0.000 7.830) 9.746 3.359 ( 7.655 0.000 2.053) 7.925 3.918 ( -4.879 -0.000 4.170) 6.418 4.058 ( 7.957 0.000 -6.555) 10.309 4.336 ( 10.738 0.000 9.688) 14.463 4.352 ( -0.896 -0.000 2.752) 2.894 4.475 ( 4.800 0.000 -4.950) 6.895 4.554 ( -14.709 -0.000 -5.108) 15.571 4.822 ( 12.171 0.000 -0.428) 12.178 4.833 ( -13.692 -0.000 -2.240) 13.874 4.949 ( -9.194 -0.000 23.804) 25.518 5.118 ( -2.486 -0.000 0.504) 2.536 5.295 ( -2.265 -0.000 -10.379) 10.623 5.479 ( 10.716 0.000 -21.404) 23.937 5.974 ( -2.039 -0.000 11.160) 11.345 5.988 ( 4.837 0.000 3.829) 6.169 6.151 ( 4.865 0.000 -5.674) 7.474 6.246 ( -10.248 -0.000 -18.078) 20.780 6.537 ( 6.556 0.000 1.315) 6.687 6.554 ( -7.678 -0.000 0.681) 7.708 6.852 ( 2.351 0.000 1.955) 3.058 6.968 ( -6.573 -0.000 -8.260) 10.556 8.081 ( -0.509 -0.000 5.086) 5.111 8.112 ( 3.635 0.000 2.527) 4.427 8.711 ( -0.476 -0.000 3.358) 3.391 8.752 ( 1.850 0.000 -0.643) 1.959 8.880 ( -7.959 -0.000 5.841) 9.873 9.038 ( 7.222 0.000 -10.074) 12.395 9.477 ( 4.067 0.000 9.632) 10.456 9.672 ( -2.506 -0.000 -9.900) 10.212 9.796 ( -2.174 -0.000 11.025) 11.237 10.017 ( 2.079 0.000 -10.924) 11.120 11.492 ( -5.990 -0.000 12.626) 13.975 11.711 ( 5.294 0.000 -9.449) 10.831 11.913 ( -10.500 -0.000 6.525) 12.362 12.029 ( 9.845 0.000 -5.169) 11.120 12.717 ( -5.607 -0.000 5.436) 7.810 12.866 ( 4.782 0.000 -9.095) 10.276 13.563 ( -4.006 -0.000 0.481) 4.035 13.567 ( 4.708 0.000 0.044) 4.708 15.245 ( -1.147 -0.000 0.929) 1.476 15.253 ( 1.575 0.000 0.152) 1.583 16.243 ( 3.789 0.000 2.417) 4.494 16.314 ( -3.505 -0.000 -4.352) 5.587 17.313 ( -6.578 -0.000 4.001) 7.699 17.372 ( 4.220 0.000 -2.075) 4.702 18.028 ( -4.014 -0.000 5.116) 6.503 18.122 ( 5.612 0.000 -4.235) 7.031 18.373 ( 3.207 0.000 2.864) 4.300 18.438 ( -1.862 -0.000 -3.489) 3.955 22.089 ( 4.382 0.000 1.734) 4.713 22.128 ( -4.360 -0.000 -2.120) 4.848 26.576 ( 1.580 0.000 1.802) 2.397 26.621 ( -0.996 -0.000 -2.687) 2.866 28.219 ( -2.607 -0.000 2.120) 3.360 28.270 ( 4.578 0.000 -2.802) 5.368 29.020 ( -3.113 -0.000 5.271) 6.121 29.121 ( 1.748 0.000 -4.913) 5.214 30.350 ( -5.151 -0.000 3.566) 6.265 30.392 ( 5.467 0.000 -0.622) 5.502 32.105 ( -37.244 -0.000 4.562) 37.523 32.210 ( 24.234 0.000 -5.746) 24.906 34.127 ( -10.904 -0.000 -0.327) 10.908 34.129 ( 16.042 0.000 -0.459) 16.049 34.499 ( -0.670 -0.000 3.752) 3.811 34.566 ( 1.702 0.000 -2.912) 3.373 ======================= Grid point 248 (117/160) ======================= q-point: ( 0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 3.295 -2.959 17.876) 18.417 1.536 ( -2.666 -4.875 5.668) 7.937 1.601 ( 0.671 1.740 -8.606) 8.805 1.797 ( 12.768 -5.184 -13.323) 19.168 2.472 ( -1.898 3.184 8.782) 9.532 2.646 ( 5.533 0.234 -6.729) 8.715 3.293 ( -6.803 -2.460 2.800) 7.757 3.395 ( 6.493 1.778 4.130) 7.898 3.884 ( -4.062 3.257 1.598) 5.446 4.060 ( 6.579 2.771 -7.503) 10.357 4.356 ( -3.095 1.589 1.896) 3.962 4.383 ( -8.283 -1.483 -4.735) 9.656 4.403 ( -9.211 -0.577 1.970) 9.437 4.478 ( 7.118 4.211 3.656) 9.042 4.792 ( -5.699 -3.187 -3.162) 7.255 4.864 ( 5.408 3.427 7.450) 9.822 5.025 ( -0.690 -2.306 16.598) 16.772 5.146 ( 1.422 -3.444 4.672) 5.976 5.297 ( 3.104 -4.098 -7.412) 9.020 5.481 ( 9.633 -0.294 -21.682) 23.727 5.976 ( -7.067 -0.158 3.921) 8.084 6.062 ( 5.492 -0.614 10.666) 12.013 6.145 ( -0.595 0.589 -8.882) 8.921 6.187 ( -0.687 -4.531 -8.700) 9.834 6.501 ( -7.919 -0.877 0.785) 8.006 6.627 ( 8.344 -2.178 1.039) 8.686 6.896 ( 4.912 0.225 5.630) 7.475 6.911 ( -3.506 -1.087 -6.884) 7.801 8.058 ( -0.469 3.271 2.656) 4.239 8.095 ( 1.665 4.294 -0.315) 4.616 8.700 ( -2.440 1.142 2.472) 3.657 8.750 ( -0.275 1.702 0.479) 1.789 8.831 ( -2.688 0.718 4.004) 4.876 8.996 ( 4.957 5.971 -7.515) 10.803 9.519 ( 1.168 1.317 8.621) 8.799 9.628 ( -0.881 -0.892 -9.937) 10.016 9.794 ( -5.686 1.101 9.654) 11.258 9.987 ( 1.830 0.475 -9.537) 9.723 11.468 ( -6.801 1.423 12.210) 14.049 11.703 ( 3.992 1.076 -10.123) 10.935 11.862 ( -9.380 -0.562 6.328) 11.329 12.089 ( 9.490 0.050 -5.176) 10.810 12.701 ( -4.516 -0.089 6.313) 7.763 12.884 ( 6.227 -0.384 -8.272) 10.361 13.540 ( -4.838 -1.009 -0.075) 4.942 13.608 ( 4.006 -0.865 -0.065) 4.099 15.215 ( -1.438 2.162 0.211) 2.605 15.231 ( 0.424 2.714 0.597) 2.811 16.285 ( -4.568 -1.641 -3.658) 6.078 16.309 ( 3.920 -3.054 2.177) 5.425 17.298 ( -5.389 -1.424 5.147) 7.587 17.432 ( 5.478 -2.448 -2.179) 6.383 17.992 ( -5.609 1.187 4.092) 7.044 18.118 ( 2.768 1.905 -4.389) 5.528 18.396 ( 1.067 0.832 1.238) 1.834 18.440 ( 3.201 -1.063 -2.495) 4.196 22.100 ( -4.310 -1.274 -1.682) 4.799 22.149 ( 4.567 -1.964 1.372) 5.158 26.595 ( 1.024 -0.065 1.593) 1.895 26.617 ( 0.174 -1.001 -2.610) 2.801 28.194 ( -3.336 0.855 1.169) 3.637 28.272 ( 3.434 1.928 -2.721) 4.786 29.009 ( -1.756 0.861 5.192) 5.548 29.111 ( 2.889 1.312 -4.480) 5.490 30.251 ( -6.335 6.444 3.195) 9.585 30.367 ( 4.020 6.020 -1.561) 7.405 31.777 ( -33.278 5.017 15.023) 36.855 32.305 ( 18.014 6.094 -5.790) 19.879 34.051 ( -8.061 -0.177 -1.881) 8.280 34.187 ( 10.970 4.025 0.862) 11.717 34.590 ( -4.790 -5.973 -2.549) 8.070 34.682 ( 9.389 -10.279 -0.770) 13.943 ======================= Grid point 249 (118/160) ======================= q-point: ( 0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 0.695 3.195 5.723) 6.591 1.522 ( 1.543 3.609 -10.259) 10.984 1.669 ( -3.990 -8.382 0.915) 9.329 2.038 ( 17.046 -5.856 -0.190) 18.025 2.490 ( -4.476 -4.435 -15.520) 16.750 2.554 ( 2.671 3.180 3.715) 5.572 3.356 ( -1.515 -5.129 2.826) 6.049 3.476 ( 0.979 -2.794 15.960) 16.233 3.733 ( -3.108 6.795 -3.102) 8.090 4.016 ( 3.140 2.902 -9.822) 10.712 4.178 ( -6.058 3.916 -5.655) 9.165 4.368 ( 1.249 1.541 -6.378) 6.680 4.439 ( 0.768 1.259 11.837) 11.929 4.481 ( -0.871 -1.101 0.122) 1.409 4.772 ( -1.699 1.017 -3.097) 3.675 4.856 ( 2.332 2.732 7.293) 8.130 5.043 ( -5.233 0.639 10.299) 11.570 5.303 ( 2.531 -7.189 7.353) 10.590 5.386 ( 6.204 -2.382 -13.027) 14.624 5.551 ( 8.452 -5.835 -10.222) 14.490 5.879 ( -10.663 1.348 -8.033) 13.418 6.105 ( -1.140 1.470 -5.415) 5.726 6.129 ( -0.123 1.281 9.028) 9.119 6.283 ( 4.966 -3.958 1.561) 6.539 6.513 ( -4.205 -6.222 4.608) 8.810 6.708 ( 5.951 -0.169 -1.026) 6.041 6.900 ( 1.329 0.231 -3.874) 4.102 6.952 ( 6.142 0.732 8.656) 10.638 7.973 ( -1.119 4.875 -1.079) 5.117 8.014 ( 0.830 3.765 -1.740) 4.230 8.637 ( -5.964 2.591 3.736) 7.500 8.724 ( -0.707 0.181 2.448) 2.554 8.834 ( 1.382 1.982 1.711) 2.961 8.896 ( 3.767 2.955 -6.725) 8.256 9.501 ( -3.475 1.258 3.918) 5.386 9.638 ( 2.855 -1.238 -3.688) 4.825 9.743 ( -6.222 1.441 4.613) 7.878 9.955 ( 2.974 2.487 -7.663) 8.588 11.428 ( -6.794 1.308 11.429) 13.359 11.672 ( 3.524 1.358 -11.112) 11.736 11.830 ( -7.881 -0.520 6.490) 10.223 12.127 ( 7.894 1.136 -5.904) 9.922 12.690 ( -3.960 0.070 6.909) 7.964 12.909 ( 6.473 0.341 -7.611) 9.997 13.526 ( -4.930 -1.629 -0.535) 5.219 13.657 ( 3.382 -1.310 0.025) 3.627 15.159 ( -1.128 2.418 -0.255) 2.680 15.180 ( -0.137 2.892 0.736) 2.987 16.284 ( -4.928 -3.032 -1.595) 6.002 16.424 ( 4.131 -5.002 0.727) 6.528 17.312 ( -4.917 -1.980 7.217) 8.955 17.500 ( 4.591 -1.028 -1.817) 5.044 17.930 ( -5.074 1.996 1.459) 5.644 18.076 ( 2.449 3.156 -3.822) 5.529 18.385 ( -0.169 0.737 0.315) 0.819 18.475 ( 3.683 -0.114 -1.420) 3.949 22.095 ( -4.209 -1.978 -1.097) 4.778 22.232 ( 4.289 -2.500 1.315) 5.135 26.597 ( -1.045 -0.141 -0.652) 1.239 26.645 ( 2.172 -1.185 -0.344) 2.498 28.147 ( -3.336 1.444 -0.333) 3.651 28.240 ( 2.184 2.677 -1.338) 3.705 28.999 ( -0.658 0.746 3.967) 4.090 29.088 ( 3.409 2.126 -3.976) 5.652 30.074 ( -6.044 7.248 2.822) 9.850 30.241 ( 2.197 8.509 -1.863) 8.983 31.583 ( -22.227 -0.490 19.532) 29.593 32.234 ( 10.603 9.060 -9.693) 16.984 33.994 ( -4.768 0.422 -2.542) 5.420 34.201 ( 8.840 2.998 4.335) 10.292 34.630 ( -9.123 -4.762 -3.916) 11.011 34.957 ( 10.957 -9.520 -0.826) 14.539 ======================= Grid point 250 (119/160) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 1.679 0.330 -8.485) 8.656 1.452 ( 0.388 0.650 4.990) 5.047 1.760 ( -3.808 -5.813 -1.533) 7.116 2.102 ( 3.832 4.220 -10.178) 11.666 2.460 ( -0.223 -2.256 -12.382) 12.588 2.736 ( 7.583 -9.001 12.197) 16.950 3.370 ( -3.235 2.931 2.965) 5.277 3.537 ( -5.873 -1.190 20.027) 20.904 3.737 ( 7.591 -5.356 -2.521) 9.627 3.947 ( 1.520 1.870 -10.140) 10.423 4.118 ( -3.480 -1.008 -5.145) 6.292 4.316 ( 3.601 3.804 -4.636) 6.995 4.420 ( -1.900 4.184 -3.939) 6.052 4.450 ( -0.879 1.213 5.187) 5.399 4.755 ( 1.426 0.044 0.870) 1.671 4.863 ( 7.813 1.632 3.258) 8.621 5.054 ( -7.219 -3.495 11.354) 13.901 5.395 ( 5.733 -1.138 -17.394) 18.350 5.472 ( 0.166 -5.007 6.534) 8.234 5.603 ( -1.185 3.079 -2.908) 4.397 5.837 ( -5.371 -8.557 -7.234) 12.426 5.979 ( -2.033 8.622 -3.886) 9.674 6.050 ( -7.338 5.634 -1.103) 9.317 6.382 ( 5.303 -1.483 2.602) 6.090 6.664 ( 2.192 -3.723 2.786) 5.141 6.741 ( 1.340 -2.140 1.012) 2.720 6.886 ( 5.221 1.530 1.903) 5.764 7.028 ( 6.056 -0.754 10.585) 12.218 7.895 ( -0.581 1.978 -2.845) 3.514 7.958 ( -0.582 1.404 -3.505) 3.820 8.580 ( -4.468 0.174 5.121) 6.798 8.724 ( -0.493 0.952 2.246) 2.489 8.793 ( -0.335 0.414 -1.779) 1.857 8.910 ( 4.212 -0.751 -4.533) 6.233 9.464 ( -4.418 0.548 4.612) 6.410 9.651 ( -3.486 1.028 5.577) 6.657 9.714 ( 2.756 -0.997 -6.606) 7.227 9.882 ( 2.829 4.888 -6.246) 8.421 11.397 ( -6.392 0.494 10.959) 12.696 11.639 ( 3.451 0.969 -11.181) 11.741 11.803 ( -6.067 -0.228 6.245) 8.710 12.124 ( 5.952 2.611 -6.295) 9.048 12.691 ( -3.057 -0.689 7.127) 7.785 12.914 ( 5.266 1.145 -7.504) 9.238 13.521 ( -3.983 -1.519 -0.699) 4.320 13.702 ( 2.506 -0.881 0.212) 2.665 15.114 ( -0.416 1.465 -1.019) 1.832 15.132 ( -0.572 2.033 1.265) 2.461 16.312 ( -4.206 -3.820 0.570) 5.710 16.542 ( 3.694 -3.905 -1.573) 5.601 17.346 ( -3.937 -2.559 8.993) 10.145 17.534 ( 2.351 -0.559 0.351) 2.442 17.855 ( -3.211 2.866 -0.253) 4.311 18.011 ( 2.479 4.247 -4.981) 6.999 18.370 ( -0.207 0.723 0.401) 0.853 18.489 ( 2.043 0.432 -1.204) 2.410 22.099 ( -3.396 -1.791 -0.667) 3.897 22.307 ( 3.241 -1.806 1.468) 3.990 26.583 ( -1.446 0.213 -0.801) 1.667 26.683 ( 2.090 -1.131 -0.059) 2.377 28.095 ( -2.433 1.306 -1.307) 3.056 28.206 ( 1.388 1.982 -0.357) 2.446 29.000 ( -0.098 -0.048 1.862) 1.865 29.060 ( 3.002 2.176 -3.132) 4.853 29.935 ( -3.744 4.129 1.822) 5.864 30.097 ( 0.843 6.850 -1.448) 7.052 31.552 ( -13.942 -2.997 19.353) 24.040 32.105 ( 6.293 7.060 -11.635) 14.993 33.944 ( -2.631 1.158 -1.750) 3.365 34.241 ( 8.950 1.842 5.862) 10.856 34.605 ( -11.296 -2.838 -5.379) 12.829 35.172 ( 8.465 -5.421 0.168) 10.053 ======================= Grid point 251 (120/160) ======================= q-point: ( 0.44 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( -1.667 2.883 -2.022) 3.896 1.502 ( 2.126 -1.710 -2.231) 3.525 1.847 ( -0.945 -3.416 1.208) 3.744 2.010 ( 1.166 2.502 -6.198) 6.785 2.427 ( -3.373 -0.209 -7.421) 8.154 2.956 ( 4.419 -3.636 8.106) 9.923 3.359 ( 1.627 -1.184 5.154) 5.533 3.581 ( -1.668 -0.628 17.433) 17.524 3.851 ( 2.127 -0.238 -2.112) 3.007 3.946 ( 4.692 -2.288 -11.418) 12.555 4.064 ( -4.232 0.182 -1.014) 4.355 4.221 ( -3.150 3.760 -6.362) 8.033 4.327 ( -0.949 2.119 -4.765) 5.301 4.470 ( -0.141 -2.091 1.692) 2.694 4.763 ( 0.999 0.936 0.402) 1.427 4.942 ( 9.991 0.250 6.385) 11.859 5.130 ( -4.731 -3.954 15.590) 16.765 5.340 ( -2.008 2.865 -15.089) 15.489 5.552 ( 4.161 -4.502 -1.940) 6.430 5.589 ( 2.152 -0.539 2.946) 3.688 5.767 ( -4.886 8.161 -3.925) 10.289 5.822 ( -5.197 9.467 -5.805) 12.261 5.966 ( -3.759 -7.614 -4.720) 9.715 6.442 ( 5.526 0.234 4.387) 7.059 6.674 ( -0.146 1.245 -0.871) 1.526 6.724 ( -2.921 1.240 -5.148) 6.047 7.018 ( 7.450 -4.887 5.294) 10.364 7.142 ( 3.252 -3.709 10.311) 11.430 7.840 ( 0.344 2.952 -4.673) 5.538 7.930 ( -2.840 -0.366 -2.326) 3.689 8.603 ( -2.625 -3.520 4.870) 6.558 8.708 ( -0.158 0.389 0.666) 0.787 8.784 ( -0.304 0.507 -2.852) 2.913 8.925 ( 3.264 1.369 -2.404) 4.279 9.460 ( -4.154 -1.560 7.040) 8.322 9.616 ( -3.204 1.187 4.771) 5.868 9.719 ( 3.600 2.145 -7.857) 8.904 9.812 ( 2.900 1.266 -4.950) 5.875 11.385 ( -5.470 -0.034 11.202) 12.466 11.614 ( 3.519 0.661 -10.349) 10.951 11.798 ( -3.310 -1.271 4.704) 5.891 12.087 ( 4.021 2.934 -5.428) 7.364 12.714 ( -2.322 -1.452 6.620) 7.165 12.900 ( 3.700 1.202 -7.647) 8.580 13.517 ( -2.319 -0.938 -0.697) 2.597 13.726 ( 1.233 0.051 0.518) 1.338 15.086 ( -0.273 1.115 -0.344) 1.198 15.110 ( -0.333 0.227 0.735) 0.838 16.360 ( -2.588 -3.390 1.140) 4.415 16.595 ( 2.282 -0.004 -2.906) 3.695 17.406 ( -2.120 -2.775 9.121) 9.766 17.571 ( -0.120 -2.051 2.007) 2.872 17.770 ( -3.379 4.042 2.522) 5.841 17.937 ( 4.308 3.160 -8.248) 9.828 18.360 ( -0.350 0.231 0.510) 0.660 18.488 ( 0.578 0.178 -1.090) 1.247 22.104 ( -1.789 -0.990 -0.549) 2.117 22.353 ( 1.767 -0.455 1.363) 2.277 26.565 ( -1.298 0.466 0.088) 1.382 26.714 ( 1.558 -0.775 -0.799) 1.915 28.058 ( -1.092 0.585 -1.275) 1.778 28.188 ( 1.044 0.764 -0.309) 1.330 29.012 ( 0.041 -0.987 -0.426) 1.075 29.035 ( 1.897 1.544 -1.949) 3.127 29.875 ( -1.196 0.829 0.674) 1.604 30.002 ( 0.112 3.139 -0.451) 3.173 31.587 ( -9.365 -3.172 18.649) 21.108 32.002 ( 4.876 4.373 -11.455) 13.195 33.906 ( -1.407 0.557 -0.911) 1.766 34.304 ( 9.284 1.025 6.038) 11.121 34.540 ( -11.053 -1.511 -5.739) 12.545 35.289 ( 4.683 -1.854 -0.550) 5.067 ======================= Grid point 252 (121/160) ======================= q-point: (-0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -2.831 2.339 4.168) 5.555 1.534 ( 0.248 -1.593 -3.838) 4.163 1.817 ( 3.490 4.772 -0.357) 5.923 1.975 ( 1.344 5.246 -0.832) 5.479 2.415 ( -5.343 -4.260 -4.913) 8.416 2.986 ( 0.661 3.963 4.468) 6.009 3.381 ( -1.230 1.358 3.559) 4.003 3.652 ( -0.736 0.742 15.328) 15.363 3.838 ( 1.992 0.748 -1.445) 2.572 3.890 ( -3.268 0.645 -8.042) 8.705 4.104 ( -4.906 -3.838 -2.100) 6.573 4.189 ( 9.197 -1.536 -7.946) 12.250 4.287 ( -1.824 -0.388 -1.274) 2.258 4.511 ( 0.733 -1.558 -2.428) 2.977 4.726 ( -0.764 2.749 3.393) 4.433 4.993 ( -3.749 1.706 12.554) 13.212 5.136 ( -2.025 4.783 1.078) 5.305 5.267 ( 1.114 0.671 -0.462) 1.380 5.568 ( 2.507 4.142 -3.561) 6.010 5.597 ( 0.822 3.844 0.615) 3.979 5.682 ( -1.784 -3.941 -2.351) 4.924 5.788 ( 6.063 -9.690 0.288) 11.434 5.999 ( -0.010 1.007 -7.524) 7.591 6.502 ( 3.111 -1.536 2.515) 4.285 6.631 ( -1.895 1.219 -1.302) 2.603 6.692 ( -4.884 -2.446 -1.220) 5.597 7.124 ( -2.083 -3.932 -5.190) 6.836 7.252 ( 2.483 -1.767 2.917) 4.218 7.772 ( -0.856 2.240 -0.312) 2.418 7.903 ( -0.413 1.382 0.093) 1.445 8.674 ( -2.459 -2.692 0.175) 3.650 8.727 ( 2.047 -3.042 -1.164) 3.847 8.748 ( 0.744 1.855 -0.508) 2.062 8.887 ( 1.473 4.103 0.775) 4.427 9.460 ( -3.676 2.518 7.395) 8.634 9.623 ( -1.266 -2.846 4.075) 5.129 9.679 ( 2.067 0.371 -4.170) 4.669 9.824 ( 2.955 -0.981 -6.583) 7.282 11.385 ( -4.461 0.040 11.953) 12.759 11.603 ( 4.625 0.108 -10.146) 11.151 11.831 ( -0.806 -2.420 2.745) 3.748 12.051 ( 2.155 1.747 -3.203) 4.237 12.749 ( -2.388 -1.878 5.774) 6.524 12.878 ( 2.616 0.868 -7.978) 8.440 13.516 ( -0.253 -0.212 -0.620) 0.703 13.722 ( -0.230 1.001 0.917) 1.377 15.070 ( -0.429 0.315 1.157) 1.274 15.120 ( 0.281 -1.089 -0.187) 1.140 16.389 ( -0.157 -0.295 -1.390) 1.430 16.572 ( 0.162 2.237 -0.814) 2.386 17.458 ( -0.188 -0.559 5.113) 5.147 17.611 ( -0.709 -1.137 -1.164) 1.775 17.675 ( -6.100 2.283 8.310) 10.558 17.933 ( 6.491 -0.841 -6.154) 8.984 18.359 ( -0.692 -0.221 0.627) 0.960 18.489 ( -0.477 -0.693 -1.156) 1.430 22.104 ( 0.256 0.126 -0.607) 0.671 22.359 ( 0.100 0.975 0.825) 1.281 26.550 ( -0.803 0.420 1.286) 1.573 26.728 ( 0.866 -0.107 -1.896) 2.087 28.051 ( 0.411 -0.430 -0.598) 0.844 28.189 ( 0.680 -0.192 -0.353) 0.790 29.019 ( 0.341 0.542 -0.551) 0.845 29.034 ( 0.029 -1.884 -2.530) 3.155 29.887 ( 1.207 -1.984 -0.424) 2.361 29.984 ( -0.471 -1.333 1.222) 1.869 31.646 ( -7.113 -3.365 18.003) 19.648 31.940 ( 5.396 2.438 -10.513) 12.066 33.900 ( -0.480 -0.865 -0.312) 1.037 34.375 ( 5.586 -0.388 3.076) 6.388 34.469 ( -5.842 0.182 -2.771) 6.469 35.310 ( 0.662 1.283 -2.534) 2.916 ======================= Grid point 253 (122/160) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -2.407 0.389 7.473) 7.860 1.517 ( -0.454 3.127 4.230) 5.280 1.781 ( 3.962 6.898 -3.681) 8.765 1.837 ( 4.920 3.462 3.486) 6.954 2.406 ( -11.696 0.362 -2.765) 12.024 2.867 ( 1.859 8.949 -0.284) 9.144 3.366 ( -0.057 -0.372 3.078) 3.100 3.606 ( -7.760 3.783 11.015) 13.995 3.820 ( 2.839 0.521 -1.398) 3.207 3.915 ( 6.077 -1.272 -4.285) 7.544 4.095 ( -1.458 1.647 -10.065) 10.302 4.248 ( -2.054 -2.562 1.898) 3.792 4.344 ( 2.789 -4.909 1.185) 5.769 4.535 ( 3.905 -1.739 -2.230) 4.821 4.719 ( -0.869 -0.306 3.839) 3.948 4.909 ( -10.732 0.563 3.991) 11.464 5.035 ( -5.818 4.336 11.117) 13.276 5.273 ( 9.629 2.211 -6.368) 11.754 5.533 ( -2.486 3.812 2.160) 5.038 5.573 ( 3.974 -2.817 1.213) 5.020 5.768 ( -0.084 -1.295 -4.022) 4.226 5.918 ( 5.431 3.360 -3.576) 7.319 6.026 ( 5.002 -8.528 2.133) 10.115 6.515 ( -2.587 -0.451 -9.095) 9.467 6.615 ( -1.817 -0.064 6.486) 6.736 6.733 ( -5.438 -5.245 -0.983) 7.619 7.094 ( -6.999 0.640 -12.479) 14.322 7.231 ( -3.992 1.224 -8.229) 9.227 7.786 ( 1.464 -2.329 8.111) 8.564 7.886 ( 2.418 1.061 1.835) 3.216 8.658 ( -2.364 -0.581 -1.374) 2.795 8.737 ( 0.450 0.479 1.026) 1.218 8.803 ( 2.619 3.550 0.026) 4.412 8.857 ( 1.713 -5.295 -2.394) 6.059 9.391 ( -2.720 3.665 8.600) 9.736 9.657 ( -1.672 -0.835 6.376) 6.645 9.749 ( 4.939 -4.284 -6.653) 9.328 9.841 ( 1.536 -1.435 -4.512) 4.977 11.397 ( -3.803 -0.403 12.711) 13.274 11.614 ( 6.176 -0.462 -10.466) 12.162 11.884 ( 0.904 -2.232 1.197) 2.689 12.032 ( 0.280 0.793 -0.407) 0.934 12.782 ( -3.930 -1.932 5.359) 6.921 12.859 ( 2.900 0.243 -9.009) 9.468 13.517 ( 1.926 0.657 -0.417) 2.077 13.693 ( -1.529 1.707 1.200) 2.587 15.079 ( -0.025 -0.960 2.320) 2.511 15.151 ( 0.364 -1.924 -0.440) 2.007 16.352 ( 2.473 3.955 -3.344) 5.739 16.522 ( -2.006 2.394 0.586) 3.178 17.450 ( 0.486 1.953 -0.137) 2.017 17.548 ( -5.508 2.125 0.386) 5.916 17.726 ( 0.270 -4.351 8.059) 9.163 18.000 ( 5.050 -2.180 -2.026) 5.862 18.359 ( -0.981 -0.083 1.311) 1.640 18.496 ( -1.320 -1.218 -1.765) 2.519 22.098 ( 2.128 1.284 -0.611) 2.559 22.324 ( -1.715 2.174 -0.070) 2.770 26.546 ( -0.228 0.216 2.181) 2.203 26.718 ( 0.057 0.710 -2.764) 2.854 28.079 ( 2.062 -1.664 0.148) 2.654 28.201 ( 0.033 -0.730 0.153) 0.747 29.015 ( -1.558 -0.375 1.197) 2.000 29.065 ( 0.054 -2.519 -4.391) 5.063 29.966 ( 3.790 -4.836 -1.243) 6.269 30.051 ( -1.359 -5.611 3.057) 6.533 31.729 ( -4.723 -4.678 14.618) 16.058 31.932 ( 6.091 -0.470 -7.149) 9.404 33.922 ( 0.355 -1.339 0.413) 1.446 34.366 ( -10.535 -2.092 -6.467) 12.537 34.483 ( 11.393 2.189 6.466) 13.282 35.226 ( -3.393 5.590 -4.896) 8.169 ======================= Grid point 254 (123/160) ======================= q-point: (-0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -2.379 1.599 12.960) 13.273 1.502 ( 3.424 0.371 7.166) 7.951 1.670 ( 4.577 3.960 0.319) 6.061 1.945 ( 3.495 -4.109 10.285) 11.614 2.148 ( -13.286 11.880 -1.955) 17.929 2.739 ( 5.447 7.381 -4.128) 10.059 3.348 ( -1.717 3.342 3.956) 5.456 3.545 ( -7.241 1.182 5.607) 9.234 3.862 ( 1.398 -1.762 3.748) 4.371 3.943 ( 6.569 0.155 -14.224) 15.668 4.055 ( 6.887 -1.095 3.625) 7.860 4.277 ( 0.084 -1.014 3.048) 3.213 4.447 ( 0.078 -2.196 2.485) 3.317 4.623 ( 5.570 -2.850 -3.456) 7.148 4.701 ( -4.725 -1.154 1.482) 5.085 4.916 ( -6.908 -5.878 -0.652) 9.093 4.969 ( -7.141 2.380 18.981) 20.419 5.291 ( 7.862 -0.100 -9.827) 12.585 5.408 ( -7.151 6.532 1.912) 9.872 5.623 ( 0.364 7.826 -14.265) 16.275 5.708 ( 6.315 -4.863 5.302) 9.573 5.993 ( 4.566 -2.386 3.223) 6.077 6.158 ( 2.447 -1.249 1.357) 3.064 6.466 ( -2.322 -0.818 -9.495) 9.809 6.620 ( -4.042 -0.065 5.801) 7.070 6.699 ( -6.783 3.580 -11.515) 13.836 6.960 ( -6.488 1.871 -8.944) 11.207 7.144 ( -7.460 0.144 -9.343) 11.957 7.903 ( 3.147 -4.637 7.713) 9.534 7.930 ( 2.533 -2.817 3.943) 5.468 8.690 ( -0.069 -2.883 -0.596) 2.944 8.733 ( -0.451 -0.133 0.306) 0.561 8.759 ( 0.359 1.175 6.663) 6.775 8.956 ( 0.580 -4.965 -9.270) 10.532 9.368 ( 0.776 1.147 10.327) 10.419 9.693 ( -0.111 -1.287 5.536) 5.685 9.786 ( 1.487 0.021 -6.558) 6.725 9.908 ( 4.701 -4.020 -4.188) 7.470 11.429 ( -3.798 -1.438 13.238) 13.847 11.645 ( 7.066 -1.012 -10.268) 12.505 11.930 ( 1.893 -1.251 0.208) 2.279 12.015 ( -1.415 0.871 1.273) 2.093 12.784 ( -6.081 -0.565 4.646) 7.674 12.861 ( 3.757 -0.776 -9.602) 10.340 13.520 ( 3.919 1.185 -0.002) 4.095 13.647 ( -2.458 1.859 1.165) 3.295 15.124 ( 1.024 -2.575 2.804) 3.942 15.192 ( -0.005 -2.294 -0.144) 2.299 16.281 ( 3.645 4.748 -1.360) 6.138 16.451 ( -2.798 2.933 -1.711) 4.400 17.408 ( -0.289 2.279 -0.184) 2.304 17.474 ( -5.360 1.691 -0.713) 5.666 17.856 ( 3.516 -4.886 7.020) 9.248 18.058 ( 3.260 -1.054 -0.858) 3.532 18.355 ( -0.797 0.328 2.431) 2.579 18.495 ( -2.206 -0.667 -2.642) 3.506 22.085 ( 3.351 2.165 -0.202) 3.994 22.256 ( -3.375 2.559 -0.989) 4.349 26.551 ( 0.266 0.102 2.444) 2.461 26.687 ( -0.663 1.237 -3.072) 3.377 28.142 ( 3.609 -2.511 0.211) 4.402 28.216 ( -0.687 -0.866 1.000) 1.491 29.016 ( -3.258 -1.000 3.035) 4.564 29.096 ( 0.165 -2.348 -5.403) 5.893 30.114 ( 5.664 -7.130 -1.070) 9.169 30.182 ( -2.290 -8.055 3.806) 9.199 31.844 ( 4.714 -4.734 2.073) 6.995 32.027 ( -1.216 -8.606 2.883) 9.157 33.954 ( 2.305 -0.784 1.373) 2.795 34.297 ( -9.933 -1.058 -4.908) 11.130 34.543 ( 10.021 2.513 4.020) 11.086 35.007 ( -6.677 11.765 -5.590) 14.638 ======================= Grid point 255 (124/160) ======================= q-point: (-0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -2.414 0.771 18.030) 18.207 1.513 ( -3.341 6.723 12.010) 14.163 1.674 ( 0.212 0.834 -2.156) 2.322 1.787 ( -2.434 2.616 -13.723) 14.181 2.237 ( 12.040 -6.673 19.284) 23.693 2.643 ( 2.968 4.631 0.246) 5.506 3.316 ( 0.507 0.174 1.584) 1.672 3.398 ( -8.229 6.845 4.977) 11.805 3.918 ( -1.425 -1.987 4.137) 4.805 3.991 ( 7.359 -2.489 -7.151) 10.559 4.203 ( 13.142 -1.094 10.337) 16.756 4.324 ( 4.431 -0.537 4.553) 6.376 4.446 ( 2.308 0.233 -5.265) 5.753 4.646 ( -8.659 -2.784 -6.452) 11.151 4.741 ( 2.590 -1.827 1.940) 3.716 4.940 ( -9.250 -0.215 2.095) 9.487 4.954 ( -6.560 -0.447 16.786) 18.028 5.206 ( -9.898 5.267 -0.098) 11.213 5.332 ( 1.127 -1.435 -8.225) 8.425 5.482 ( 7.353 2.910 -19.227) 20.789 5.868 ( 6.628 -3.798 8.847) 11.689 6.026 ( -0.913 1.945 1.262) 2.492 6.143 ( 2.869 1.996 -2.842) 4.505 6.419 ( -10.246 0.632 -18.542) 21.194 6.524 ( 4.266 4.390 -3.289) 6.949 6.599 ( -5.651 0.136 3.604) 6.704 6.873 ( -4.000 1.315 -3.088) 5.222 7.053 ( -7.249 0.329 -8.856) 11.449 8.027 ( 1.259 -3.415 5.922) 6.952 8.034 ( 3.491 -3.626 4.970) 7.074 8.701 ( -1.022 0.069 4.015) 4.143 8.738 ( 1.715 -0.045 -0.663) 1.839 8.851 ( -2.691 -6.032 5.122) 8.358 8.996 ( 2.002 -2.582 -9.537) 10.082 9.412 ( 3.529 -0.084 9.760) 10.379 9.712 ( -0.952 -0.637 -6.519) 6.618 9.777 ( -0.723 0.583 7.544) 7.601 9.996 ( 5.453 -2.835 -9.107) 10.987 11.472 ( -4.596 -1.651 13.077) 13.960 11.686 ( 6.784 -1.003 -9.694) 11.874 11.955 ( -4.781 -0.900 4.786) 6.825 11.993 ( 4.246 1.241 -3.411) 5.586 12.751 ( -6.646 0.206 4.622) 8.098 12.866 ( 3.809 -0.050 -9.705) 10.426 13.536 ( 5.011 0.764 0.246) 5.075 13.599 ( -3.168 1.177 0.887) 3.494 15.202 ( 2.102 -3.109 1.637) 4.094 15.230 ( -0.568 -1.783 0.588) 1.962 16.235 ( 3.890 2.861 1.130) 4.959 16.370 ( -2.953 2.030 -3.658) 5.121 17.363 ( -3.938 1.328 2.359) 4.779 17.394 ( -1.215 2.930 -2.163) 3.839 17.988 ( 2.198 -3.709 5.496) 6.985 18.086 ( 4.141 0.056 -2.158) 4.670 18.354 ( 0.253 0.400 3.183) 3.218 18.470 ( -2.656 0.144 -3.250) 4.200 22.073 ( 3.928 1.933 0.907) 4.470 22.182 ( -4.218 1.570 -1.700) 4.811 26.561 ( 0.836 0.084 2.151) 2.309 26.648 ( -1.012 0.992 -2.876) 3.206 28.213 ( 1.922 -1.610 0.740) 2.614 28.230 ( 1.168 -0.920 -0.052) 1.488 29.021 ( -3.867 -0.947 4.507) 6.013 29.117 ( 0.683 -1.348 -5.389) 5.597 30.284 ( 3.914 -6.104 1.003) 7.320 30.315 ( -1.430 -5.841 2.300) 6.438 32.005 ( 15.966 -4.795 -5.335) 17.503 32.195 ( -17.388 -12.269 2.951) 21.485 34.008 ( 7.934 -0.852 2.245) 8.290 34.220 ( -9.880 0.183 -2.315) 10.149 34.555 ( 6.488 4.009 0.859) 7.674 34.691 ( -6.085 12.692 -1.690) 14.176 ======================= Grid point 257 (125/160) ======================= q-point: ( 0.11 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 9.620 0.000 13.731) 16.766 1.579 ( -1.732 -0.000 -3.853) 4.224 1.580 ( 3.622 0.000 7.771) 8.573 1.780 ( 15.069 0.000 -19.211) 24.416 2.399 ( -11.433 -0.000 -7.600) 13.729 2.750 ( 7.555 0.000 -1.473) 7.697 3.246 ( -3.658 -0.000 6.626) 7.568 3.482 ( 5.527 0.000 -4.464) 7.105 3.891 ( -2.424 -0.000 2.902) 3.781 4.113 ( 4.400 0.000 -10.506) 11.391 4.183 ( -17.360 -0.000 -3.334) 17.678 4.345 ( -4.011 -0.000 0.572) 4.052 4.370 ( -6.723 -0.000 -2.541) 7.188 4.540 ( -5.192 -0.000 4.244) 6.706 4.750 ( 4.284 0.000 4.158) 5.970 4.998 ( -4.826 -0.000 21.467) 22.002 5.029 ( 9.610 0.000 3.034) 10.078 5.186 ( 9.147 0.000 5.356) 10.599 5.263 ( 5.820 0.000 -3.340) 6.710 5.475 ( 9.236 0.000 -22.976) 24.763 5.920 ( -9.899 -0.000 -0.492) 9.911 6.068 ( -2.362 -0.000 -3.144) 3.933 6.129 ( -1.741 -0.000 -9.607) 9.763 6.173 ( 10.328 0.000 14.115) 17.490 6.458 ( -3.257 -0.000 0.550) 3.303 6.676 ( 8.224 0.000 1.063) 8.293 6.856 ( -1.131 -0.000 -3.024) 3.228 6.970 ( 7.198 0.000 7.635) 10.493 8.088 ( -1.202 -0.000 0.754) 1.419 8.144 ( 0.671 0.000 -2.672) 2.755 8.716 ( -1.274 -0.000 1.623) 2.064 8.774 ( 2.273 0.000 -2.377) 3.289 8.807 ( -6.799 -0.000 7.426) 10.068 9.080 ( 5.264 0.000 -7.900) 9.493 9.557 ( -2.891 -0.000 -10.907) 11.283 9.585 ( 2.103 0.000 8.601) 8.854 9.797 ( -7.210 -0.000 10.393) 12.649 9.939 ( -2.567 -0.000 -10.204) 10.522 11.466 ( -7.589 -0.000 11.582) 13.847 11.704 ( 2.213 0.000 -9.779) 10.026 11.806 ( -8.613 -0.000 6.129) 10.571 12.145 ( 8.973 0.000 -5.259) 10.401 12.697 ( -2.723 -0.000 7.240) 7.735 12.904 ( 7.238 0.000 -7.334) 10.305 13.491 ( -5.310 -0.000 -0.176) 5.313 13.624 ( 3.104 0.000 -0.586) 3.159 15.225 ( -1.690 -0.000 -0.005) 1.690 15.257 ( -1.053 -0.000 0.116) 1.060 16.224 ( -4.263 -0.000 -3.633) 5.602 16.312 ( 2.641 0.000 2.538) 3.662 17.270 ( -2.820 -0.000 4.607) 5.402 17.448 ( 6.733 0.000 -0.636) 6.763 17.958 ( -8.296 -0.000 3.132) 8.867 18.130 ( 0.283 0.000 -4.904) 4.912 18.413 ( 1.527 0.000 -3.469) 3.791 18.466 ( 6.078 0.000 1.123) 6.181 22.053 ( -3.232 -0.000 -2.102) 3.855 22.168 ( 4.061 0.000 1.747) 4.421 26.593 ( -0.336 -0.000 -2.522) 2.545 26.618 ( 2.383 0.000 1.323) 2.726 28.179 ( -3.926 -0.000 1.177) 4.098 28.301 ( 2.525 0.000 -4.321) 5.005 29.029 ( -0.663 -0.000 6.119) 6.154 29.137 ( 4.043 0.000 -3.912) 5.626 30.276 ( -6.674 -0.000 2.118) 7.002 30.444 ( 1.840 0.000 -1.614) 2.448 31.588 ( -37.243 -0.000 17.054) 40.962 32.488 ( 11.985 0.000 0.263) 11.988 33.995 ( -3.461 -0.000 -1.779) 3.891 34.334 ( 10.978 0.000 -4.057) 11.703 34.521 ( 0.434 0.000 2.717) 2.751 34.601 ( 6.751 0.000 -4.404) 8.060 ======================= Grid point 258 (126/160) ======================= q-point: ( 0.22 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -0.670 2.317 -4.280) 4.913 1.570 ( 3.632 3.678 -5.419) 7.489 1.614 ( 6.018 -0.596 9.878) 11.582 1.997 ( 20.425 -11.885 -5.676) 24.303 2.322 ( -8.452 -2.182 -14.938) 17.302 2.646 ( -3.282 6.358 -8.572) 11.166 3.297 ( 2.028 -2.163 7.322) 7.900 3.501 ( 1.120 -2.145 4.186) 4.835 3.818 ( -5.000 5.713 -1.574) 7.754 4.010 ( -5.702 1.492 -9.415) 11.108 4.163 ( -6.664 -0.474 -9.382) 11.518 4.314 ( -3.902 -4.381 2.727) 6.470 4.363 ( 2.129 -2.327 -3.461) 4.682 4.508 ( -6.675 -0.131 6.643) 9.418 4.795 ( 3.726 1.403 4.634) 6.110 4.962 ( -2.152 4.685 12.768) 13.770 5.086 ( -0.713 2.004 6.599) 6.933 5.292 ( 10.486 -1.779 -0.908) 10.674 5.352 ( 8.515 -2.248 -0.846) 8.847 5.510 ( 11.238 -3.060 -15.263) 19.199 5.810 ( -10.534 2.345 -3.925) 11.483 6.052 ( -3.022 0.009 -1.347) 3.308 6.122 ( -1.174 -3.897 -4.820) 6.309 6.346 ( 11.960 -1.778 16.281) 20.280 6.423 ( -2.833 -0.069 2.672) 3.895 6.732 ( 4.620 -1.197 -4.374) 6.474 6.902 ( 5.324 -1.905 3.411) 6.604 7.048 ( 7.346 0.552 9.040) 11.661 8.050 ( -0.571 2.986 -2.095) 3.692 8.081 ( -1.308 4.742 -4.399) 6.599 8.662 ( -4.387 3.261 4.072) 6.816 8.745 ( -1.103 2.032 1.603) 2.813 8.837 ( 1.290 -2.429 0.216) 2.759 9.012 ( 1.268 6.655 -5.135) 8.501 9.497 ( -1.283 0.770 -6.424) 6.596 9.636 ( 1.872 -1.038 3.707) 4.281 9.729 ( -9.409 2.067 6.265) 11.491 9.931 ( -1.598 -2.820 -7.720) 8.372 11.434 ( -7.462 1.080 10.902) 13.256 11.676 ( 1.667 0.754 -10.450) 10.609 11.776 ( -7.243 -0.980 6.327) 9.667 12.180 ( 6.729 0.651 -6.600) 9.448 12.698 ( -2.135 0.646 7.857) 8.168 12.940 ( 7.381 -0.021 -6.712) 9.976 13.461 ( -4.792 -1.111 -0.004) 4.919 13.654 ( 2.515 -1.129 -0.852) 2.885 15.191 ( -1.345 1.999 -0.752) 2.524 15.225 ( -1.629 2.054 0.667) 2.704 16.199 ( -3.798 -1.716 -2.101) 4.668 16.369 ( 1.925 -3.454 1.718) 4.311 17.278 ( -2.070 -0.869 6.048) 6.451 17.516 ( 6.486 -1.189 -0.559) 6.618 17.900 ( -7.994 0.093 1.210) 8.085 18.104 ( -0.524 0.813 -4.872) 4.967 18.411 ( 2.667 0.749 -2.254) 3.571 18.507 ( 4.499 0.486 0.122) 4.527 22.036 ( -2.466 -1.048 -1.359) 3.005 22.220 ( 3.120 -1.934 1.097) 3.831 26.585 ( -0.055 -0.052 -1.998) 2.000 26.646 ( 2.324 -0.630 0.839) 2.550 28.143 ( -3.762 0.894 0.477) 3.896 28.286 ( 1.308 1.504 -4.002) 4.471 29.035 ( 0.132 1.269 6.081) 6.213 29.143 ( 4.707 1.611 -3.670) 6.182 30.166 ( -6.799 6.170 2.147) 9.429 30.382 ( -0.884 5.859 -2.002) 6.255 31.421 ( -27.554 -3.072 21.350) 34.992 32.450 ( 3.808 8.751 -4.589) 10.590 33.977 ( 0.845 0.942 -0.844) 1.521 34.345 ( 8.668 3.450 1.264) 9.414 34.511 ( -3.114 -0.809 -3.114) 4.477 34.815 ( 9.036 -12.382 -2.675) 15.560 ======================= Grid point 259 (127/160) ======================= q-point: ( 0.33 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -1.927 0.734 3.447) 4.017 1.482 ( 1.825 3.233 -8.817) 9.566 1.687 ( 5.510 -0.452 -0.661) 5.568 2.128 ( -3.342 5.402 -25.777) 26.549 2.383 ( 12.726 -10.035 -1.174) 16.249 2.641 ( 0.526 -6.997 4.441) 8.303 3.378 ( 0.823 -3.212 0.567) 3.364 3.570 ( -5.533 0.247 22.959) 23.618 3.687 ( -0.006 0.417 -6.463) 6.477 3.918 ( -4.151 0.549 -10.466) 11.272 4.085 ( -0.681 1.192 -6.475) 6.619 4.349 ( -1.142 0.968 -5.035) 5.253 4.431 ( -4.523 -4.815 -2.192) 6.960 4.523 ( 3.558 0.695 6.421) 7.373 4.773 ( 2.520 2.884 -0.342) 3.845 4.923 ( -2.871 -0.140 11.313) 11.673 5.031 ( -0.020 4.003 5.169) 6.538 5.350 ( 3.969 -1.375 -16.759) 17.277 5.451 ( 5.599 -1.787 7.728) 9.709 5.616 ( 5.555 -2.076 -4.110) 7.215 5.682 ( -5.684 0.790 -7.154) 9.171 5.994 ( -5.478 1.484 -7.198) 9.166 6.132 ( -1.496 3.459 0.128) 3.771 6.388 ( 1.294 -0.857 6.190) 6.381 6.623 ( 9.228 -7.670 16.444) 20.357 6.752 ( 2.913 0.806 -5.351) 6.146 6.973 ( 6.451 0.992 4.696) 8.040 7.116 ( 5.992 1.169 10.310) 11.982 7.943 ( -1.245 4.835 -3.215) 5.939 7.982 ( -0.559 3.214 -6.867) 7.602 8.593 ( -4.041 2.114 6.920) 8.288 8.716 ( -1.355 0.194 0.166) 1.379 8.856 ( -1.783 5.267 2.355) 6.039 8.901 ( 3.427 -0.714 -7.009) 7.835 9.466 ( -0.354 0.917 -1.450) 1.752 9.649 ( -6.500 0.657 4.147) 7.738 9.684 ( 0.923 -1.759 -1.093) 2.267 9.926 ( -0.284 0.436 -7.259) 7.277 11.394 ( -7.106 0.872 10.703) 12.876 11.640 ( 2.206 0.714 -11.170) 11.408 11.768 ( -5.935 -0.983 6.816) 9.091 12.179 ( 4.433 1.406 -8.119) 9.357 12.696 ( -1.878 0.598 8.104) 8.340 12.957 ( 5.846 1.356 -6.954) 9.185 13.462 ( -2.911 -1.843 0.681) 3.513 13.694 ( 1.892 -1.502 -0.957) 2.599 15.141 ( -0.517 2.003 -0.988) 2.292 15.172 ( -1.547 2.411 0.898) 3.002 16.219 ( -2.731 -3.353 0.478) 4.351 16.471 ( 1.617 -5.232 -0.016) 5.476 17.311 ( -2.021 -1.745 8.521) 8.930 17.561 ( 3.912 0.634 0.181) 3.968 17.846 ( -5.285 0.262 -1.862) 5.609 18.057 ( -1.118 1.919 -5.275) 5.724 18.409 ( 3.418 1.503 -0.837) 3.826 18.515 ( 2.086 1.101 -0.230) 2.370 22.044 ( -1.798 -1.676 -0.176) 2.464 22.286 ( 1.674 -2.615 0.373) 3.128 26.578 ( 0.039 0.217 -1.381) 1.398 26.678 ( 1.660 -0.886 0.436) 1.932 28.097 ( -2.598 1.227 -0.404) 2.901 28.247 ( 0.313 1.954 -2.525) 3.207 29.026 ( 0.161 1.633 4.916) 5.183 29.124 ( 4.497 2.750 -3.695) 6.437 30.005 ( -4.954 5.917 2.239) 8.036 30.230 ( -2.060 7.638 -1.704) 8.092 31.416 ( -16.779 -5.880 21.168) 27.644 32.258 ( 1.355 9.356 -11.053) 14.544 33.957 ( 1.129 1.821 -0.193) 2.151 34.364 ( 6.832 2.683 5.932) 9.437 34.486 ( -3.945 -1.336 -5.750) 7.100 35.084 ( 6.069 -9.728 -1.273) 11.536 ======================= Grid point 260 (128/160) ======================= q-point: ( 0.44 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 2.151 2.802 -4.714) 5.890 1.508 ( 2.263 -2.752 6.181) 7.135 1.733 ( 0.687 -3.652 -0.622) 3.768 1.969 ( -1.185 -0.207 -22.984) 23.015 2.483 ( 3.061 4.479 2.447) 5.952 2.873 ( 3.661 -11.014 3.161) 12.030 3.393 ( 2.063 0.778 3.620) 4.238 3.621 ( -2.828 -0.560 23.095) 23.274 3.755 ( -0.740 -6.041 -6.519) 8.918 3.865 ( -3.254 -1.726 -12.958) 13.472 4.057 ( 1.004 -0.159 -1.062) 1.470 4.326 ( 0.671 -0.000 -4.111) 4.165 4.345 ( -2.096 6.999 -4.705) 8.690 4.509 ( 2.880 4.629 3.082) 6.263 4.771 ( 0.304 -0.610 -1.419) 1.574 5.004 ( -5.601 -1.843 10.008) 11.616 5.042 ( 8.349 -5.207 6.466) 11.774 5.302 ( -0.996 1.298 -19.356) 19.426 5.531 ( 1.066 -0.822 4.764) 4.951 5.592 ( 1.966 0.605 1.501) 2.547 5.736 ( -3.508 -7.378 -3.790) 9.006 5.863 ( -4.296 5.033 -10.950) 12.794 5.982 ( -2.336 9.885 1.448) 10.260 6.449 ( 0.842 -1.781 4.574) 4.980 6.715 ( 0.427 2.091 -4.906) 5.350 6.793 ( 7.408 3.024 5.187) 9.536 7.052 ( 8.624 -2.226 10.671) 13.899 7.157 ( 1.550 0.549 8.986) 9.136 7.881 ( -3.757 -0.245 -4.444) 5.824 7.896 ( 3.001 3.291 -6.036) 7.501 8.574 ( -2.467 0.026 8.743) 9.084 8.709 ( -2.528 -0.242 0.402) 2.571 8.769 ( -1.278 1.093 -2.290) 2.841 8.936 ( 3.670 -1.090 -5.621) 6.801 9.444 ( -2.175 0.640 4.698) 5.217 9.618 ( -4.133 -0.038 4.494) 6.106 9.720 ( 2.953 -1.384 -6.538) 7.306 9.865 ( 0.391 3.231 -6.161) 6.968 11.372 ( -6.278 -0.267 10.999) 12.667 11.614 ( 3.028 0.298 -10.840) 11.259 11.768 ( -4.059 -0.934 6.609) 7.812 12.142 ( 2.606 2.339 -8.402) 9.102 12.705 ( -1.686 -0.265 7.694) 7.881 12.936 ( 4.006 2.091 -7.441) 8.705 13.484 ( -0.625 -1.489 1.344) 2.101 13.725 ( 0.819 -0.861 -0.919) 1.502 15.106 ( 0.381 1.268 -1.166) 1.764 15.125 ( -1.491 1.596 1.295) 2.539 16.281 ( -1.176 -4.019 2.793) 5.034 16.568 ( 1.338 -3.633 -2.329) 4.519 17.371 ( -1.323 -2.734 10.150) 10.595 17.566 ( 0.820 0.676 1.721) 2.023 17.793 ( -3.744 1.264 -2.181) 4.514 17.982 ( -0.595 2.696 -7.737) 8.215 18.399 ( 3.364 2.161 0.269) 4.008 18.502 ( 0.451 1.091 -0.387) 1.242 22.068 ( -0.642 -1.720 0.653) 1.948 22.337 ( -0.104 -2.023 -0.218) 2.037 26.569 ( 0.263 0.491 -0.315) 0.640 26.704 ( 0.681 -0.876 -0.379) 1.173 28.061 ( -0.878 0.849 -0.671) 1.394 28.209 ( -0.185 1.298 -1.575) 2.049 29.014 ( -0.144 0.935 2.816) 2.970 29.089 ( 3.503 2.915 -3.501) 5.747 29.902 ( -1.931 2.887 1.558) 3.807 30.080 ( -1.901 5.807 -1.261) 6.239 31.493 ( -10.599 -5.537 19.873) 23.194 32.085 ( 1.834 5.848 -12.675) 14.079 33.927 ( 0.870 2.074 0.384) 2.282 34.355 ( -4.758 0.521 0.492) 4.811 34.495 ( 7.074 0.403 0.498) 7.103 35.247 ( 1.731 -4.987 -1.589) 5.513 ======================= Grid point 261 (129/160) ======================= q-point: ( 0.56 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 0.535 3.753 1.284) 4.003 1.552 ( 6.152 1.521 -1.548) 6.524 1.827 ( -1.208 -4.784 -3.286) 5.928 1.977 ( 0.952 -4.439 -6.206) 7.689 2.391 ( -0.081 5.527 4.548) 7.158 3.023 ( 1.005 -2.086 0.146) 2.320 3.429 ( 2.451 0.584 3.881) 4.627 3.699 ( -2.991 -2.956 16.994) 17.507 3.750 ( -8.731 0.882 -3.121) 9.314 3.812 ( -3.406 -1.941 -11.706) 12.345 4.136 ( -1.429 7.675 -1.586) 7.966 4.168 ( 10.974 -5.472 -3.335) 12.708 4.378 ( 8.414 2.663 -0.842) 8.866 4.457 ( -3.012 -0.695 1.697) 3.527 4.762 ( -1.323 1.218 -1.811) 2.552 5.014 ( -6.427 1.057 7.580) 9.994 5.136 ( -5.606 0.096 -8.070) 9.826 5.292 ( 7.845 -3.294 6.267) 10.567 5.577 ( -1.354 -3.552 -0.875) 3.901 5.623 ( 2.878 0.161 -7.519) 8.053 5.712 ( 1.764 3.594 -0.872) 4.097 5.751 ( -0.114 4.291 -3.015) 5.246 5.893 ( -3.489 -5.517 2.206) 6.890 6.480 ( -1.790 -0.854 -0.694) 2.102 6.666 ( -0.232 1.481 -1.949) 2.459 6.741 ( 5.775 6.699 3.128) 9.382 7.092 ( -0.899 2.773 0.596) 2.976 7.246 ( 3.227 -2.506 4.432) 6.028 7.802 ( -1.459 2.080 -4.735) 5.374 7.912 ( 2.299 -0.730 1.277) 2.729 8.613 ( -1.429 -2.736 7.028) 7.676 8.696 ( -1.803 -0.634 -0.095) 1.913 8.758 ( -0.450 -0.358 -2.796) 2.855 8.945 ( 2.436 1.041 -4.909) 5.578 9.457 ( -2.914 -1.804 8.220) 8.906 9.607 ( -2.034 0.414 4.866) 5.290 9.710 ( 2.200 2.290 -7.968) 8.577 9.811 ( 1.499 0.323 -5.701) 5.904 11.379 ( -5.189 -0.943 11.492) 12.644 11.603 ( 3.951 -0.060 -9.926) 10.683 11.792 ( -1.785 -1.951 5.188) 5.823 12.085 ( 1.204 2.237 -7.306) 7.735 12.726 ( -2.048 -0.844 6.695) 7.052 12.900 ( 3.000 1.817 -7.767) 8.522 13.514 ( 1.423 -0.749 1.686) 2.330 13.730 ( -0.594 0.159 -0.711) 0.940 15.084 ( 0.114 1.061 0.086) 1.071 15.108 ( -0.485 -0.210 0.440) 0.688 16.358 ( 0.461 -3.020 3.261) 4.469 16.598 ( 0.817 0.294 -3.398) 3.507 17.452 ( 0.413 -2.432 7.992) 8.364 17.573 ( -1.248 -1.320 3.260) 3.732 17.709 ( -6.730 3.706 1.854) 7.903 17.929 ( 2.665 -0.244 -10.143) 10.491 18.385 ( 2.693 1.860 0.817) 3.373 18.483 ( -0.376 0.676 -0.462) 0.902 22.100 ( 1.105 -1.151 1.002) 1.884 22.354 ( -1.877 -0.736 -0.781) 2.162 26.563 ( 0.618 0.591 1.191) 1.466 26.718 ( -0.097 -0.614 -1.703) 1.813 28.050 ( 0.717 0.075 -0.166) 0.740 28.187 ( -0.405 0.231 -1.500) 1.571 29.010 ( -0.267 -0.154 0.488) 0.577 29.050 ( 2.092 2.257 -2.751) 4.128 29.874 ( 0.500 -0.012 0.645) 0.816 29.987 ( -1.617 2.203 -0.388) 2.760 31.579 ( -8.056 -4.183 19.008) 21.065 31.985 ( 3.232 2.733 -11.989) 12.715 33.906 ( 1.352 1.052 0.893) 1.932 34.296 ( -9.293 -1.001 -4.304) 10.290 34.565 ( 12.250 1.601 5.943) 13.709 35.293 ( -2.346 -1.286 -3.552) 4.448 ======================= Grid point 262 (130/160) ======================= q-point: (-0.33 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 0.156 2.793 4.685) 5.457 1.567 ( 5.747 0.833 -4.068) 7.090 1.869 ( 2.129 -0.140 -0.381) 2.167 1.986 ( 0.940 3.540 -0.880) 3.767 2.337 ( -3.149 1.761 6.483) 7.420 2.985 ( -1.827 4.510 -4.506) 6.632 3.411 ( 3.471 2.698 0.588) 4.435 3.647 ( -9.327 3.293 12.923) 16.274 3.734 ( -11.480 -4.291 -2.332) 12.476 3.851 ( 4.680 -4.868 -12.945) 14.600 4.086 ( 2.386 0.210 5.973) 6.436 4.297 ( 7.081 1.857 -3.400) 8.072 4.349 ( 7.652 2.473 1.554) 8.190 4.505 ( 1.881 -3.105 -2.662) 4.502 4.705 ( -4.305 0.443 0.858) 4.412 4.878 ( -9.255 4.231 -4.660) 11.192 5.089 ( -7.704 2.220 11.687) 14.173 5.383 ( 7.586 -0.285 0.135) 7.593 5.535 ( 0.560 1.590 -10.123) 10.263 5.623 ( 0.696 0.874 -2.310) 2.566 5.724 ( 4.399 -1.484 10.264) 11.265 5.882 ( 4.404 -9.775 1.777) 10.867 5.974 ( 1.642 -3.282 -0.403) 3.692 6.441 ( -5.658 -0.125 -8.389) 10.119 6.653 ( -0.473 1.304 2.830) 3.152 6.696 ( 4.866 2.714 6.217) 8.349 7.013 ( -5.296 1.184 -7.941) 9.618 7.218 ( -4.493 3.593 -9.804) 11.368 7.794 ( 2.556 -0.787 4.883) 5.568 7.933 ( 1.790 0.977 2.130) 2.949 8.642 ( -2.104 0.551 1.379) 2.575 8.738 ( 1.526 -3.367 -4.013) 5.456 8.755 ( -0.619 -1.444 2.880) 3.281 8.902 ( 1.090 3.298 -2.648) 4.368 9.471 ( -2.305 2.476 9.211) 9.812 9.625 ( -2.187 -2.321 4.761) 5.730 9.689 ( 2.926 -2.157 -4.523) 5.803 9.811 ( 1.732 -0.794 -7.709) 7.941 11.397 ( -4.533 -0.722 11.947) 12.798 11.612 ( 5.239 -0.669 -10.102) 11.400 11.845 ( -0.639 -2.776 4.502) 5.328 12.040 ( 0.531 0.865 -5.705) 5.794 12.744 ( -3.361 -0.931 5.890) 6.845 12.868 ( 3.321 1.117 -8.257) 8.970 13.544 ( 3.098 -0.041 1.693) 3.530 13.707 ( -1.975 1.046 -0.411) 2.272 15.077 ( 0.187 -0.014 1.378) 1.390 15.120 ( -0.119 -1.232 -0.322) 1.279 16.407 ( 2.323 0.090 1.137) 2.588 16.556 ( -0.836 2.808 -1.993) 3.543 17.485 ( 1.121 0.935 0.147) 1.467 17.568 ( -5.563 4.186 0.062) 6.962 17.660 ( -2.648 -5.051 11.500) 12.837 17.961 ( 3.055 -3.197 -7.574) 8.770 18.378 ( 2.079 1.175 1.257) 2.699 18.470 ( -1.007 -0.076 -0.926) 1.370 22.130 ( 2.958 -0.018 0.990) 3.119 22.330 ( -3.508 0.772 -1.274) 3.811 26.565 ( 0.931 0.559 2.597) 2.815 26.713 ( -0.563 -0.002 -3.055) 3.107 28.070 ( 2.000 -1.011 0.585) 2.316 28.182 ( -0.841 -0.618 -1.407) 1.752 29.019 ( 0.495 0.148 -1.734) 1.810 29.020 ( 0.060 -0.058 -1.364) 1.366 29.913 ( 2.372 -2.937 -0.299) 3.787 29.973 ( -1.896 -1.962 0.951) 2.890 31.652 ( -8.143 -3.726 18.900) 20.914 31.950 ( 5.556 0.431 -11.458) 12.742 33.919 ( 2.522 -0.450 1.536) 2.987 34.232 ( -9.557 -1.627 -5.490) 11.141 34.649 ( 13.206 2.401 7.707) 15.478 35.240 ( -5.801 1.927 -6.184) 8.695 ======================= Grid point 263 (131/160) ======================= q-point: (-0.22 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 0.676 -0.147 6.601) 6.638 1.560 ( 3.306 1.745 -6.955) 7.896 1.824 ( 5.213 6.203 1.082) 8.175 1.972 ( 1.130 0.164 6.547) 6.646 2.257 ( -3.902 6.853 10.460) 13.100 2.842 ( -0.712 5.059 -12.387) 13.399 3.430 ( 3.910 1.198 4.693) 6.225 3.539 ( -8.416 4.392 8.249) 12.576 3.748 ( -10.116 -6.399 0.435) 11.978 3.920 ( 6.374 -2.651 -17.733) 19.030 4.111 ( 5.269 1.158 4.368) 6.941 4.263 ( -0.819 -0.268 -0.156) 0.876 4.389 ( 2.820 -0.797 4.425) 5.308 4.587 ( 4.929 -2.897 -6.703) 8.810 4.719 ( -0.995 -0.458 1.414) 1.789 4.761 ( -7.363 -2.981 -1.375) 8.062 5.024 ( -7.781 2.645 18.907) 20.616 5.386 ( 10.199 3.992 -12.612) 16.704 5.511 ( -2.050 5.729 2.223) 6.478 5.622 ( 1.182 -2.263 -4.126) 4.852 5.765 ( 2.153 1.370 7.631) 8.047 6.003 ( 4.231 -1.666 3.361) 5.655 6.138 ( 6.461 -6.071 3.107) 9.394 6.368 ( -7.046 -0.992 -11.013) 13.112 6.618 ( -1.662 1.918 4.405) 5.084 6.722 ( 1.563 1.824 3.207) 4.007 6.911 ( -5.228 1.470 -12.222) 13.374 7.066 ( -7.657 1.611 -10.790) 13.328 7.872 ( 3.281 -2.825 5.341) 6.875 7.933 ( 1.235 0.140 1.857) 2.235 8.632 ( -1.479 -1.494 2.514) 3.277 8.733 ( -1.784 0.601 0.662) 1.995 8.838 ( 1.044 3.403 -0.718) 3.631 8.841 ( 1.691 -4.330 -5.927) 7.533 9.438 ( -0.392 2.201 11.101) 11.324 9.663 ( -2.518 -2.115 4.212) 5.344 9.762 ( 2.208 -2.040 -6.414) 7.083 9.839 ( 3.031 -4.293 -4.957) 7.224 11.417 ( -4.607 -0.924 12.290) 13.158 11.639 ( 6.042 -1.163 -10.757) 12.392 11.901 ( -2.691 -2.239 5.983) 6.932 12.024 ( 2.523 0.062 -5.616) 6.157 12.745 ( -5.286 -0.540 5.527) 7.667 12.859 ( 4.713 0.146 -8.828) 10.009 13.571 ( 4.168 0.662 1.392) 4.444 13.661 ( -3.056 1.636 -0.207) 3.473 15.099 ( 0.596 -1.517 2.243) 2.772 15.147 ( -0.351 -1.985 -0.677) 2.126 16.395 ( 4.493 3.707 -0.829) 5.884 16.476 ( -3.648 3.374 -0.914) 5.053 17.440 ( -4.927 2.892 2.819) 6.371 17.480 ( -0.079 1.493 -2.309) 2.751 17.801 ( 1.330 -5.929 9.887) 11.605 18.021 ( 1.406 -3.295 -5.486) 6.552 18.379 ( 1.416 0.849 2.344) 2.867 18.463 ( -1.119 -0.434 -2.300) 2.594 22.149 ( 4.285 1.347 0.862) 4.574 22.266 ( -4.784 2.071 -1.581) 5.448 26.573 ( 1.091 0.503 3.300) 3.512 26.689 ( -0.791 0.756 -3.843) 3.996 28.123 ( 3.032 -2.279 0.816) 3.879 28.186 ( -1.648 -1.182 -0.713) 2.150 29.001 ( -1.073 0.383 0.765) 1.373 29.044 ( 0.799 -1.925 -3.687) 4.235 30.017 ( 1.842 -6.033 0.407) 6.321 30.037 ( -0.934 -5.938 0.894) 6.078 31.725 ( -11.186 -5.174 19.333) 22.928 31.981 ( 9.283 -2.059 -11.879) 15.216 33.968 ( 4.312 -1.193 2.522) 5.136 34.176 ( -8.906 -1.814 -5.325) 10.534 34.715 ( 11.826 3.744 7.700) 14.600 35.090 ( -7.669 5.956 -8.579) 12.957 ======================= Grid point 264 (132/160) ======================= q-point: (-0.11 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 1.787 -0.845 10.816) 10.995 1.551 ( 2.462 -1.619 -6.014) 6.697 1.754 ( -1.088 8.076 3.827) 9.003 1.866 ( -0.014 7.630 -6.173) 9.814 2.281 ( 9.751 -2.239 23.297) 25.354 2.720 ( -0.158 2.891 -16.484) 16.736 3.377 ( 1.075 5.057 6.865) 8.594 3.424 ( -8.994 4.277 1.683) 10.101 3.818 ( -6.272 -6.896 0.696) 9.348 3.973 ( 9.237 -2.936 -12.561) 15.866 4.236 ( 9.891 -5.716 6.493) 13.140 4.305 ( -2.648 -5.121 -0.209) 5.769 4.431 ( -2.916 -1.210 3.801) 4.941 4.545 ( -4.918 3.197 -6.391) 8.675 4.760 ( 4.738 -1.753 4.858) 7.009 4.831 ( -3.601 -4.938 -1.750) 6.357 5.010 ( -4.400 0.976 18.983) 19.510 5.300 ( -4.410 10.333 2.826) 11.584 5.365 ( 5.310 3.638 -8.850) 10.943 5.533 ( 4.428 5.252 -16.687) 18.046 5.900 ( 8.509 -3.904 11.591) 14.899 6.043 ( -1.096 0.140 1.977) 2.265 6.194 ( -1.121 2.248 -0.018) 2.512 6.310 ( -4.375 -0.051 -13.177) 13.884 6.579 ( -4.891 1.905 3.857) 6.514 6.638 ( 3.049 4.616 -3.996) 6.825 6.865 ( -0.327 -0.206 0.110) 0.402 6.979 ( -5.166 -0.049 -8.963) 10.345 7.977 ( 0.536 -3.363 2.433) 4.185 7.982 ( 2.579 -4.999 2.510) 6.160 8.698 ( -2.743 -4.553 3.589) 6.414 8.709 ( -1.449 0.587 2.316) 2.794 8.804 ( 1.725 0.619 1.122) 2.149 8.901 ( 1.262 -4.159 -8.335) 9.400 9.462 ( 1.240 -0.156 10.782) 10.855 9.671 ( -1.005 -0.340 -6.912) 6.993 9.779 ( -2.933 -1.251 5.558) 6.408 9.942 ( 4.977 -4.067 -7.632) 9.978 11.443 ( -5.477 -1.591 12.469) 13.712 11.674 ( 5.676 -1.523 -10.759) 12.259 11.910 ( -7.745 -0.538 7.012) 10.461 12.042 ( 7.498 0.102 -5.929) 9.560 12.724 ( -5.813 0.022 5.587) 8.063 12.870 ( 5.526 -0.122 -8.872) 10.453 13.590 ( 2.547 1.045 0.981) 2.922 13.603 ( -2.011 1.709 -0.343) 2.661 15.157 ( 0.780 -3.105 2.182) 3.874 15.183 ( -0.649 -2.446 -0.559) 2.592 16.347 ( 5.004 4.760 0.377) 6.917 16.376 ( -4.891 2.962 -2.327) 6.173 17.362 ( -6.860 2.002 5.351) 8.927 17.453 ( 3.633 2.164 -3.644) 5.582 17.943 ( 0.431 -4.526 7.344) 8.637 18.067 ( 1.597 -2.618 -4.988) 5.855 18.382 ( 0.465 0.570 3.331) 3.411 18.452 ( 0.240 0.172 -3.714) 3.726 22.151 ( 4.435 2.357 1.043) 5.129 22.179 ( -4.795 2.302 -1.686) 5.580 26.583 ( 1.159 0.426 3.038) 3.279 26.652 ( -0.666 1.160 -3.787) 4.017 28.191 ( -1.027 -1.403 0.567) 1.829 28.203 ( 2.106 -2.813 -0.558) 3.558 28.996 ( -2.018 -0.508 3.209) 3.825 29.077 ( 1.748 -1.977 -4.646) 5.343 30.140 ( -4.957 -7.960 3.675) 10.072 30.196 ( 4.830 -8.274 -1.877) 9.763 31.795 ( -20.035 -7.522 18.666) 28.397 32.097 ( 14.791 -4.885 -11.763) 19.519 34.048 ( 6.933 -1.777 3.426) 7.935 34.125 ( -8.197 -1.292 -4.311) 9.351 34.720 ( 5.369 5.754 5.595) 9.656 34.858 ( -2.910 10.312 -8.589) 13.732 ======================= Grid point 267 (133/160) ======================= q-point: ( 0.22 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 0.139 0.000 -7.121) 7.122 1.599 ( -1.760 -0.000 -2.345) 2.932 1.774 ( 17.693 0.000 11.405) 21.050 1.958 ( 17.849 0.000 -12.542) 21.815 2.209 ( -3.234 -0.000 -9.107) 9.664 2.612 ( -12.096 -0.000 -17.861) 21.572 3.375 ( 6.321 0.000 15.981) 17.186 3.380 ( -10.391 -0.000 -15.036) 18.278 3.804 ( -12.190 -0.000 -6.728) 13.923 3.965 ( -2.063 -0.000 -4.023) 4.521 4.073 ( 2.934 0.000 -8.559) 9.048 4.268 ( -6.381 -0.000 1.955) 6.674 4.347 ( -2.622 -0.000 -5.293) 5.907 4.474 ( -1.167 -0.000 9.942) 10.010 4.859 ( 2.061 0.000 10.001) 10.211 5.018 ( -7.663 -0.000 10.452) 12.960 5.123 ( 0.767 0.000 4.620) 4.683 5.367 ( 9.407 0.000 -7.700) 12.157 5.436 ( 14.424 0.000 2.742) 14.682 5.501 ( 10.983 0.000 -9.323) 14.407 5.771 ( -9.151 -0.000 4.358) 10.136 5.995 ( -4.574 -0.000 -11.347) 12.235 6.078 ( 2.748 0.000 3.933) 4.798 6.446 ( 2.788 0.000 3.724) 4.652 6.482 ( 11.603 0.000 17.123) 20.684 6.710 ( 1.597 0.000 -6.595) 6.785 6.962 ( 9.080 0.000 8.151) 12.202 7.135 ( 6.786 0.000 8.502) 10.879 8.058 ( -0.756 -0.000 -4.717) 4.777 8.105 ( -1.941 -0.000 -5.793) 6.110 8.703 ( -2.502 -0.000 4.907) 5.508 8.775 ( -3.622 -0.000 5.844) 6.876 8.792 ( 2.986 0.000 -3.722) 4.772 9.057 ( -2.486 -0.000 -7.681) 8.074 9.480 ( 3.006 0.000 -9.435) 9.903 9.645 ( -2.507 -0.000 8.175) 8.550 9.720 ( -9.924 -0.000 8.071) 12.792 9.821 ( -3.743 -0.000 -10.181) 10.847 11.423 ( -7.401 -0.000 10.087) 12.511 11.657 ( 0.663 0.000 -10.210) 10.232 11.736 ( -6.006 -0.000 6.241) 8.661 12.202 ( 3.659 0.000 -8.165) 8.947 12.723 ( -0.989 -0.000 8.810) 8.865 12.977 ( 7.729 0.000 -6.158) 9.882 13.419 ( -3.575 -0.000 0.861) 3.677 13.654 ( 1.797 0.000 -1.494) 2.337 15.199 ( -1.097 -0.000 -1.209) 1.633 15.229 ( -2.910 -0.000 0.895) 3.045 16.151 ( -2.703 -0.000 -1.537) 3.109 16.346 ( 0.055 0.000 1.153) 1.155 17.285 ( 0.403 0.000 5.335) 5.350 17.558 ( 7.358 0.000 0.703) 7.391 17.837 ( -9.145 -0.000 1.595) 9.283 18.085 ( -1.149 -0.000 -5.885) 5.996 18.430 ( 3.288 0.000 -2.829) 4.338 18.549 ( 4.007 0.000 0.111) 4.009 22.009 ( -0.926 -0.000 -1.520) 1.780 22.222 ( 1.668 0.000 0.611) 1.777 26.582 ( 0.816 0.000 -1.604) 1.800 26.661 ( 2.330 0.000 0.495) 2.382 28.125 ( -3.619 -0.000 0.738) 3.693 28.289 ( 0.268 0.000 -5.361) 5.367 29.076 ( 1.007 0.000 6.897) 6.970 29.188 ( 5.540 0.000 -3.234) 6.415 30.185 ( -6.297 -0.000 1.060) 6.385 30.408 ( -5.352 -0.000 -2.062) 5.735 31.254 ( -24.207 -0.000 25.069) 34.849 32.515 ( -6.724 -0.000 -3.943) 7.794 34.040 ( 8.241 0.000 2.805) 8.705 34.410 ( 3.997 0.000 -4.083) 5.714 34.544 ( 0.557 0.000 2.160) 2.230 34.701 ( 9.965 0.000 -6.886) 12.112 ======================= Grid point 268 (134/160) ======================= q-point: ( 0.33 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -0.611 2.445 -4.669) 5.306 1.537 ( -1.897 3.005 -4.128) 5.447 1.813 ( 13.084 6.378 -2.401) 14.753 2.107 ( -1.584 3.058 -18.634) 18.950 2.276 ( 15.591 -11.469 -1.739) 19.433 2.504 ( -4.840 -5.804 -7.372) 10.557 3.263 ( -10.399 -4.097 -8.028) 13.762 3.533 ( -1.455 -5.094 16.353) 17.189 3.684 ( -9.883 -0.397 -7.911) 12.666 3.900 ( 1.246 4.867 -5.978) 7.809 4.092 ( 2.312 0.522 -7.628) 7.987 4.237 ( -7.561 -4.096 -1.040) 8.662 4.325 ( -1.748 -2.608 -2.057) 3.754 4.553 ( 5.228 -1.873 6.478) 8.533 4.880 ( 1.614 3.376 5.918) 7.002 4.936 ( -9.227 2.638 7.726) 12.320 5.119 ( -0.599 1.828 4.504) 4.897 5.345 ( 5.979 2.747 -15.895) 17.203 5.525 ( 8.612 1.107 5.883) 10.488 5.617 ( 7.779 -2.855 -2.628) 8.693 5.680 ( -3.028 3.634 0.478) 4.755 5.964 ( -2.347 -0.308 -7.952) 8.297 6.143 ( 3.007 -1.660 5.648) 6.610 6.417 ( 0.244 2.396 2.927) 3.790 6.673 ( 13.056 -2.632 19.202) 23.369 6.742 ( 2.429 -2.453 -4.011) 5.292 7.056 ( 7.941 0.376 7.297) 10.791 7.209 ( 5.571 0.356 8.837) 10.453 7.999 ( -3.271 4.239 -8.167) 9.766 8.026 ( 0.192 3.105 -5.534) 6.349 8.642 ( -2.933 3.913 6.991) 8.532 8.737 ( -0.886 2.164 0.547) 2.402 8.866 ( 2.902 -3.236 -1.339) 4.548 8.944 ( -5.338 5.198 -5.031) 8.990 9.485 ( 5.090 0.524 -5.715) 7.671 9.601 ( -11.292 0.965 4.827) 12.319 9.673 ( -0.390 -0.316 2.668) 2.714 9.840 ( -3.751 -4.928 -7.170) 9.474 11.391 ( -7.245 0.844 10.027) 12.399 11.625 ( 1.112 0.272 -10.791) 10.851 11.727 ( -4.937 -1.096 6.790) 8.466 12.186 ( 1.167 0.257 -10.180) 10.250 12.734 ( -0.749 1.220 9.171) 9.282 13.004 ( 6.286 1.005 -6.642) 9.201 13.419 ( -1.193 -1.399 2.270) 2.921 13.673 ( 1.251 -1.302 -1.932) 2.645 15.169 ( -0.572 1.699 -1.208) 2.162 15.196 ( -2.746 1.369 0.953) 3.213 16.153 ( -1.298 -2.116 0.267) 2.497 16.384 ( -0.852 -4.005 0.147) 4.097 17.313 ( 0.907 -0.304 6.850) 6.917 17.612 ( 5.541 0.587 1.180) 5.695 17.783 ( -7.382 -0.952 -0.307) 7.450 18.048 ( -1.581 0.748 -6.399) 6.634 18.448 ( 3.946 0.173 -2.181) 4.512 18.559 ( 2.055 1.446 0.156) 2.517 22.011 ( 0.001 -0.925 -0.462) 1.034 22.247 ( 0.052 -1.858 -0.465) 1.917 26.584 ( 1.279 0.252 -0.959) 1.618 26.681 ( 1.696 -0.299 0.058) 1.723 28.096 ( -2.555 0.676 0.472) 2.685 28.261 ( -0.662 0.944 -4.774) 4.911 29.087 ( 0.881 2.022 6.790) 7.139 29.199 ( 5.538 2.164 -3.403) 6.851 30.084 ( -5.248 5.412 1.611) 7.709 30.309 ( -6.885 4.193 -1.357) 8.175 31.246 ( -15.582 -5.862 24.859) 29.919 32.357 ( -8.115 6.431 -10.371) 14.655 34.056 ( 7.067 5.179 2.893) 9.227 34.446 ( 0.168 0.018 -4.761) 4.764 34.483 ( 5.198 2.983 4.119) 7.272 34.906 ( 5.830 -11.933 -4.562) 14.042 ======================= Grid point 269 (135/160) ======================= q-point: ( 0.44 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -1.261 -0.966 -3.306) 3.667 1.488 ( 1.936 -0.056 1.513) 2.458 1.771 ( 5.235 2.767 -8.434) 10.305 1.943 ( 4.053 6.015 -15.946) 17.518 2.546 ( 4.057 -3.481 3.880) 6.605 2.652 ( 1.892 -12.909 -4.443) 13.783 3.319 ( -7.496 -9.123 -3.329) 12.268 3.619 ( -4.660 -1.725 2.590) 5.603 3.671 ( -1.338 -4.795 10.216) 11.365 3.805 ( 2.332 3.280 -7.605) 8.605 4.055 ( -1.569 0.801 -1.911) 2.599 4.245 ( -5.446 -4.179 -4.768) 8.358 4.407 ( 3.999 -1.334 -2.633) 4.971 4.582 ( -1.197 2.223 0.453) 2.565 4.793 ( 1.058 3.658 -1.915) 4.262 4.931 ( -4.482 -2.810 10.580) 11.829 5.089 ( -0.442 1.979 4.419) 4.862 5.283 ( 4.456 1.738 -14.399) 15.173 5.562 ( 1.441 0.986 6.357) 6.593 5.627 ( 0.601 0.758 2.382) 2.571 5.677 ( 5.143 0.927 -5.156) 7.341 5.876 ( -1.732 4.523 -9.054) 10.268 6.136 ( 1.499 5.971 2.631) 6.695 6.440 ( -0.062 -1.580 6.277) 6.473 6.745 ( 2.447 1.488 -3.630) 4.624 6.896 ( 9.566 -2.625 14.122) 17.258 7.113 ( 6.121 0.368 7.508) 9.694 7.245 ( 2.527 2.851 8.971) 9.746 7.854 ( -4.965 3.215 -7.649) 9.670 7.959 ( 3.065 2.999 -7.323) 8.487 8.599 ( -2.743 1.163 9.269) 9.736 8.694 ( -1.113 1.444 -0.340) 1.855 8.798 ( -4.346 4.154 -1.993) 6.334 8.922 ( 3.909 -1.317 -5.401) 6.796 9.473 ( -0.745 1.884 2.447) 3.177 9.573 ( -3.729 -2.490 2.705) 5.237 9.693 ( 1.105 -1.312 -3.103) 3.546 9.855 ( -2.472 -1.488 -7.347) 7.893 11.358 ( -6.814 0.302 10.834) 12.802 11.600 ( 2.482 -0.102 -11.304) 11.573 11.742 ( -3.795 -1.303 7.833) 8.801 12.149 ( 0.240 0.523 -11.131) 11.146 12.733 ( -0.846 1.274 8.911) 9.041 12.987 ( 4.222 2.444 -7.442) 8.899 13.462 ( 1.096 -1.915 3.304) 3.973 13.702 ( 0.390 -1.508 -2.185) 2.683 15.131 ( -0.266 1.546 -0.379) 1.614 15.149 ( -1.705 1.850 0.419) 2.551 16.213 ( 0.376 -3.921 2.891) 4.886 16.471 ( -0.992 -5.745 -1.480) 6.015 17.359 ( 0.525 -1.349 9.254) 9.367 17.616 ( 2.161 2.387 2.303) 3.959 17.754 ( -4.442 -0.866 -3.158) 5.519 17.986 ( -2.029 1.914 -7.778) 8.263 18.464 ( 4.498 1.104 -1.511) 4.872 18.533 ( 0.003 2.013 0.686) 2.126 22.039 ( 0.777 -1.591 1.059) 2.063 22.282 ( -1.632 -2.576 -1.565) 3.428 26.585 ( 1.569 0.538 -0.196) 1.670 26.695 ( 0.389 -0.359 -0.478) 0.713 28.070 ( -0.722 0.730 0.175) 1.042 28.219 ( -1.281 1.150 -3.380) 3.793 29.063 ( -0.026 2.800 5.601) 6.262 29.170 ( 4.645 3.636 -4.008) 7.132 29.962 ( -2.338 4.469 2.132) 5.476 30.162 ( -5.289 5.609 -1.256) 7.811 31.361 ( -9.636 -7.227 22.703) 25.700 32.147 ( -3.993 5.664 -14.274) 15.867 34.009 ( 4.112 4.690 2.012) 6.553 34.344 ( -4.880 3.897 -3.321) 7.073 34.576 ( 10.192 -1.276 4.670) 11.283 35.117 ( 0.396 -8.602 -3.530) 9.306 ======================= Grid point 270 (136/160) ======================= q-point: ( 0.56 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -0.353 0.502 -0.567) 0.836 1.586 ( 2.008 -4.611 0.651) 5.071 1.757 ( 4.068 1.114 -1.708) 4.550 1.878 ( 5.890 -1.549 -11.277) 12.817 2.538 ( 0.417 4.593 6.179) 7.710 2.896 ( 0.502 -10.747 -5.181) 11.941 3.407 ( -5.272 -5.095 4.311) 8.505 3.605 ( -6.044 -1.873 -6.612) 9.152 3.726 ( -3.878 -0.135 2.121) 4.422 3.811 ( 4.551 1.602 5.006) 6.953 4.094 ( 3.290 -6.120 -0.605) 6.975 4.294 ( -0.776 2.310 1.288) 2.756 4.322 ( 0.298 0.013 -4.402) 4.412 4.562 ( 2.961 2.911 1.933) 4.580 4.741 ( -0.729 0.695 -5.268) 5.363 4.985 ( -5.953 -2.197 2.070) 6.675 5.060 ( -4.867 0.260 0.414) 4.891 5.312 ( 11.304 -2.621 -4.117) 12.313 5.558 ( -1.980 1.862 4.706) 5.435 5.646 ( 3.006 0.189 0.293) 3.026 5.670 ( -3.281 -2.498 -0.560) 4.162 5.745 ( -0.575 3.621 -11.551) 12.119 6.005 ( 3.624 9.420 4.636) 11.106 6.453 ( -3.775 0.217 -0.049) 3.781 6.716 ( 3.246 2.663 0.925) 4.299 6.926 ( 5.614 6.477 2.060) 8.816 7.187 ( -2.065 5.440 5.335) 7.895 7.239 ( 5.345 -2.675 7.635) 9.696 7.777 ( -3.110 -0.678 -4.633) 5.621 7.932 ( 3.829 0.424 -4.463) 5.896 8.604 ( -2.623 -0.097 10.575) 10.896 8.666 ( -2.642 -0.340 -0.163) 2.669 8.734 ( -0.409 0.122 -2.657) 2.691 8.945 ( 3.209 -0.548 -7.923) 8.566 9.449 ( -3.184 0.465 8.447) 9.040 9.607 ( -1.382 -1.013 5.315) 5.584 9.711 ( 3.155 -0.814 -9.728) 10.259 9.817 ( -1.162 1.115 -6.211) 6.416 11.354 ( -5.910 -1.045 11.636) 13.092 11.593 ( 3.825 -0.541 -11.042) 11.698 11.768 ( -2.254 -1.280 8.037) 8.445 12.096 ( -0.022 1.336 -10.641) 10.724 12.735 ( -1.424 0.636 8.042) 8.192 12.939 ( 3.108 2.610 -7.864) 8.849 13.519 ( 2.552 -1.340 3.546) 4.570 13.714 ( -0.933 -0.709 -2.212) 2.503 15.107 ( -1.694 0.697 1.483) 2.357 15.110 ( 0.832 1.448 -1.101) 2.000 16.313 ( 1.789 -4.123 4.945) 6.683 16.553 ( -0.608 -4.047 -3.635) 5.474 17.434 ( 0.500 -2.696 10.394) 10.749 17.588 ( 0.286 2.153 3.493) 4.113 17.709 ( -5.457 1.282 -2.042) 5.965 17.909 ( -0.323 1.186 -10.819) 10.888 18.458 ( 3.740 2.619 -0.176) 4.570 18.499 ( -0.639 1.305 0.215) 1.469 22.088 ( 2.018 -1.846 2.136) 3.470 22.302 ( -3.168 -2.063 -2.283) 4.417 26.588 ( 1.681 0.630 1.044) 2.077 26.697 ( -0.686 -0.475 -1.550) 1.760 28.062 ( 1.018 0.341 0.364) 1.134 28.181 ( -1.456 0.594 -2.630) 3.064 29.029 ( -0.600 1.926 3.489) 4.030 29.116 ( 3.277 3.714 -4.228) 6.512 29.901 ( 0.327 2.080 1.756) 2.742 30.029 ( -3.489 4.198 -1.100) 5.568 31.493 ( -7.041 -5.590 20.863) 22.718 32.007 ( -0.013 2.647 -14.034) 14.281 33.966 ( 2.937 3.237 2.112) 4.854 34.229 ( -6.670 2.199 -4.177) 8.172 34.695 ( 12.020 -0.262 6.645) 13.737 35.205 ( -4.146 -3.941 -4.924) 7.547 ======================= Grid point 271 (137/160) ======================= q-point: (-0.33 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 0.744 2.654 4.992) 5.702 1.619 ( 4.387 1.199 -7.956) 9.164 1.802 ( 1.897 -4.225 -0.654) 4.677 1.952 ( 0.175 -3.216 -6.072) 6.874 2.486 ( 3.883 5.754 14.637) 16.200 2.974 ( -3.989 -1.270 -9.034) 9.957 3.453 ( -4.920 -2.161 6.046) 8.089 3.569 ( -2.799 -1.098 -6.836) 7.468 3.692 ( -8.373 2.633 9.991) 13.299 3.794 ( 5.788 0.065 -10.802) 12.255 4.162 ( 1.244 2.076 9.833) 10.127 4.329 ( 10.863 -4.551 -2.241) 11.989 4.398 ( -4.218 -3.574 1.405) 5.704 4.533 ( 9.493 3.713 2.033) 10.394 4.687 ( -4.483 2.071 -5.562) 7.438 4.873 ( -7.665 3.811 -12.860) 15.449 5.072 ( -6.273 -1.637 15.949) 17.216 5.415 ( 3.405 0.742 1.480) 3.786 5.512 ( -2.583 -1.792 -7.718) 8.333 5.588 ( 1.950 3.967 -9.267) 10.268 5.754 ( 4.296 -7.448 -1.094) 8.667 5.794 ( 0.511 -8.899 0.825) 8.952 5.931 ( 5.502 5.188 12.043) 14.220 6.379 ( -6.958 1.334 -8.153) 10.801 6.715 ( 4.365 1.895 5.822) 7.520 6.841 ( 3.580 5.885 2.060) 7.190 7.051 ( -2.389 7.351 0.116) 7.730 7.233 ( -3.720 4.480 -7.820) 9.750 7.811 ( 3.473 -2.188 3.509) 5.400 7.950 ( 0.733 -0.526 -0.884) 1.263 8.642 ( -1.087 -1.206 6.551) 6.749 8.668 ( -0.933 -2.320 0.106) 2.503 8.740 ( -0.561 -0.938 0.164) 1.105 8.932 ( 1.458 1.048 -8.080) 8.277 9.472 ( -3.165 -1.895 9.864) 10.532 9.619 ( -1.823 0.275 6.957) 7.197 9.688 ( 2.639 1.636 -9.158) 9.670 9.788 ( 1.688 -0.356 -7.572) 7.766 11.377 ( -5.220 -1.538 11.904) 13.089 11.603 ( 4.777 -0.793 -10.480) 11.545 11.811 ( -1.293 -1.927 7.350) 7.707 12.037 ( 0.378 1.128 -9.382) 9.457 12.737 ( -2.557 0.296 7.000) 7.458 12.894 ( 3.260 1.782 -8.097) 8.908 13.571 ( 3.401 -0.641 3.301) 4.782 13.699 ( -2.287 0.262 -2.057) 3.087 15.088 ( -0.248 0.556 0.903) 1.089 15.104 ( -0.006 -0.169 -0.245) 0.298 16.409 ( 2.054 -2.328 5.130) 5.996 16.576 ( -0.037 -0.098 -4.949) 4.950 17.512 ( 2.305 -0.116 3.460) 4.159 17.590 ( -6.666 -1.364 11.163) 13.073 17.605 ( -2.835 2.606 -0.392) 3.871 17.893 ( 2.212 -2.451 -11.474) 11.939 18.432 ( 1.599 2.199 1.353) 3.037 18.473 ( 0.146 1.158 -1.084) 1.593 22.148 ( 3.534 -1.337 2.519) 4.541 22.292 ( -4.379 -0.792 -2.511) 5.110 26.594 ( 1.302 0.592 2.647) 3.009 26.693 ( -0.779 -0.409 -3.106) 3.228 28.075 ( 1.986 -0.330 0.975) 2.237 28.158 ( -1.426 -0.213 -2.591) 2.965 29.010 ( -0.370 0.474 1.082) 1.238 29.060 ( 1.843 2.836 -3.456) 4.836 29.897 ( 1.562 -0.370 0.988) 1.885 29.953 ( -2.289 1.202 -0.544) 2.642 31.591 ( -7.271 -3.416 19.838) 21.403 31.950 ( 3.275 0.176 -12.778) 13.192 33.956 ( 3.739 1.195 2.490) 4.648 34.137 ( -7.310 0.404 -4.541) 8.615 34.806 ( 11.802 0.959 8.508) 14.580 35.181 ( -6.721 -0.461 -7.723) 10.248 ======================= Grid point 272 (138/160) ======================= q-point: (-0.22 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 2.026 3.051 7.419) 8.274 1.580 ( 1.706 2.191 -12.146) 12.459 1.900 ( 3.655 -3.107 0.896) 4.880 1.947 ( -3.575 -0.582 -3.919) 5.336 2.464 ( 6.212 7.232 20.512) 22.619 2.856 ( -5.318 4.206 -15.917) 17.301 3.461 ( -6.171 -1.003 6.851) 9.275 3.574 ( -2.371 -2.462 1.298) 3.656 3.601 ( -3.611 2.890 5.195) 6.956 3.853 ( 7.635 -3.713 -13.573) 16.010 4.189 ( 2.696 1.024 9.158) 9.602 4.312 ( -1.939 5.642 -2.914) 6.639 4.459 ( 2.944 2.256 1.539) 4.015 4.561 ( 4.844 -1.626 -4.803) 7.013 4.643 ( 0.565 -2.089 1.033) 2.398 4.722 ( -5.057 1.638 -8.222) 9.790 5.074 ( -7.723 1.981 19.730) 21.280 5.459 ( 6.693 -0.647 -7.219) 9.866 5.476 ( -0.091 -1.272 -7.609) 7.715 5.578 ( -1.014 -4.328 -7.422) 8.652 5.865 ( -0.027 3.359 12.326) 12.776 5.967 ( 3.492 -5.992 2.968) 7.544 6.041 ( 5.645 -9.569 5.710) 12.491 6.270 ( -6.492 0.351 -12.353) 13.959 6.710 ( 2.872 5.010 7.783) 9.692 6.814 ( 3.723 0.436 4.512) 5.866 6.897 ( -1.267 6.896 -5.745) 9.065 7.030 ( -8.491 5.691 -12.887) 16.449 7.886 ( 3.971 -0.782 4.685) 6.191 7.945 ( -1.035 0.271 -1.079) 1.520 8.630 ( -2.087 1.174 4.185) 4.821 8.723 ( 0.374 -0.406 -4.192) 4.229 8.775 ( 0.052 -3.380 4.189) 5.383 8.889 ( 1.424 1.758 -5.934) 6.351 9.493 ( -3.881 0.800 10.309) 11.044 9.629 ( -1.762 -0.759 5.933) 6.236 9.701 ( 3.377 -3.563 -6.898) 8.467 9.788 ( 2.657 -1.039 -7.981) 8.476 11.402 ( -5.154 -1.041 11.737) 12.861 11.625 ( 5.233 -1.087 -10.708) 11.968 11.857 ( -3.650 -1.883 7.375) 8.441 12.016 ( 3.410 -0.795 -8.104) 8.828 12.727 ( -3.959 0.428 6.328) 7.477 12.873 ( 4.380 0.620 -8.228) 9.341 13.613 ( 3.084 0.038 2.702) 4.100 13.659 ( -2.708 0.993 -1.861) 3.432 15.091 ( 0.368 -0.498 1.445) 1.572 15.112 ( -0.500 -1.073 -0.607) 1.331 16.448 ( -0.709 0.673 3.592) 3.722 16.533 ( 1.969 3.149 -4.703) 5.993 17.468 ( -7.131 3.843 3.626) 8.875 17.508 ( 1.616 1.565 -0.342) 2.276 17.724 ( 0.072 -6.308 11.104) 12.770 17.939 ( 2.233 -3.876 -9.729) 10.708 18.411 ( -0.791 1.137 2.164) 2.569 18.455 ( 1.433 0.633 -2.243) 2.735 22.201 ( 4.575 -0.031 2.321) 5.130 22.248 ( -5.107 0.771 -2.259) 5.637 26.601 ( 0.396 0.456 3.626) 3.676 26.680 ( -0.027 0.187 -4.176) 4.180 28.111 ( 2.047 -1.428 1.326) 2.826 28.149 ( -1.410 -0.794 -2.309) 2.820 29.014 ( 0.430 -0.492 -1.117) 1.294 29.018 ( 0.674 1.346 -1.819) 2.361 29.933 ( -2.137 -2.475 1.463) 3.583 29.960 ( 2.051 -3.189 -0.987) 3.918 31.643 ( -9.936 -2.145 19.688) 22.157 31.964 ( 6.710 -2.086 -12.255) 14.126 33.996 ( 5.398 -0.639 3.280) 6.349 34.072 ( -6.926 -0.875 -4.400) 8.252 34.878 ( 5.543 2.474 9.840) 11.562 35.085 ( -3.432 2.458 -10.780) 11.577 ======================= Grid point 273 (139/160) ======================= q-point: (-0.11 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 2.063 0.339 7.433) 7.722 1.510 ( 0.333 0.007 -12.966) 12.970 1.866 ( -7.587 5.030 -1.392) 9.209 1.982 ( 10.218 0.283 1.138) 10.285 2.465 ( 8.274 5.008 22.321) 24.326 2.676 ( -4.274 3.887 -22.548) 23.277 3.438 ( -7.272 0.346 4.305) 8.458 3.524 ( -5.732 4.811 15.600) 17.302 3.648 ( 2.803 -3.792 -3.682) 5.983 3.937 ( 8.591 -3.737 -13.509) 16.440 4.198 ( -3.557 1.391 -3.311) 5.054 4.242 ( 6.677 -2.497 3.270) 7.843 4.435 ( -3.218 0.618 4.835) 5.841 4.535 ( -3.860 0.815 -7.847) 8.783 4.719 ( 1.578 -3.937 0.566) 4.279 4.757 ( 5.053 -3.507 0.697) 6.190 5.048 ( -5.735 1.529 18.350) 19.286 5.410 ( 7.396 2.091 -18.193) 19.750 5.475 ( -4.907 6.557 4.272) 9.237 5.609 ( 3.357 0.720 -6.111) 7.009 5.895 ( 0.986 -3.016 12.921) 13.305 6.018 ( -1.810 -0.571 -6.200) 6.484 6.174 ( -6.897 -2.312 -1.536) 7.434 6.276 ( 6.436 -2.639 -1.634) 7.145 6.651 ( 0.983 6.158 5.873) 8.566 6.713 ( -1.874 5.316 -5.819) 8.102 6.874 ( 4.351 -0.932 6.001) 7.471 6.910 ( -3.132 -0.640 -8.195) 8.797 7.925 ( -0.875 -1.454 0.238) 1.713 7.950 ( 2.151 -1.499 0.078) 2.623 8.623 ( -4.356 -1.413 5.291) 6.997 8.711 ( 0.073 -0.241 -0.204) 0.324 8.812 ( -0.760 -0.079 -1.759) 1.918 8.871 ( 4.417 0.404 -4.356) 6.217 9.487 ( -3.626 -0.114 10.189) 10.816 9.648 ( -0.273 -0.374 0.247) 0.525 9.738 ( -0.657 -1.332 -3.597) 3.892 9.865 ( 4.552 -5.505 -6.198) 9.458 11.416 ( -5.771 -0.946 11.562) 12.956 11.650 ( 4.885 -1.328 -11.203) 12.294 11.864 ( -7.065 -0.772 6.843) 9.865 12.061 ( 6.974 -1.765 -6.327) 9.580 12.706 ( -4.671 0.423 6.293) 7.849 12.882 ( 5.557 -0.286 -8.130) 9.852 13.594 ( -4.387 1.417 -0.586) 4.647 13.648 ( 3.856 0.861 0.753) 4.023 15.121 ( 0.137 -1.734 1.807) 2.508 15.133 ( -0.511 -2.018 -0.963) 2.294 16.388 ( -5.301 3.162 -0.027) 6.172 16.480 ( 5.390 4.591 -1.517) 7.241 17.374 ( -6.321 2.595 6.472) 9.411 17.497 ( 2.878 1.084 -1.683) 3.506 17.871 ( -0.987 -5.462 7.455) 9.294 18.000 ( 2.720 -3.845 -7.334) 8.716 18.390 ( -2.308 0.346 1.681) 2.876 18.458 ( 2.944 0.136 -2.316) 3.748 22.174 ( -5.233 1.954 -1.558) 5.799 22.231 ( 4.890 1.542 1.736) 5.414 26.604 ( -0.729 0.251 2.622) 2.733 26.660 ( 1.213 0.992 -3.370) 3.717 28.144 ( -2.679 -1.562 -1.195) 3.324 28.173 ( 2.650 -2.256 0.482) 3.514 28.994 ( -0.497 0.551 1.047) 1.283 29.042 ( 1.981 -1.792 -3.217) 4.181 29.985 ( -4.370 -5.267 2.370) 7.243 30.075 ( 3.290 -6.898 -1.602) 7.809 31.648 ( -15.042 -1.420 19.662) 24.796 32.055 ( 9.993 -5.224 -11.916) 16.406 34.030 ( -6.226 -1.326 -3.754) 7.390 34.081 ( 7.390 -1.706 4.243) 8.690 34.810 ( -10.523 4.501 1.378) 11.528 35.015 ( 10.762 5.495 -4.291) 12.823 ======================= Grid point 277 (140/160) ======================= q-point: ( 0.33 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -1.406 -0.000 -4.543) 4.756 1.515 ( -5.035 -0.000 -6.123) 7.928 2.061 ( 10.590 0.000 -15.509) 18.780 2.062 ( 6.597 0.000 0.046) 6.597 2.255 ( 10.129 0.000 -2.895) 10.535 2.329 ( -2.137 -0.000 -13.469) 13.637 3.071 ( -14.574 -0.000 -11.788) 18.744 3.495 ( -10.902 -0.000 -1.617) 11.022 3.562 ( -5.664 -0.000 11.477) 12.798 3.992 ( 6.631 0.000 -8.236) 10.574 4.089 ( 3.549 0.000 -8.722) 9.416 4.190 ( -8.184 -0.000 -3.436) 8.876 4.224 ( -0.295 -0.000 4.716) 4.726 4.611 ( 6.132 0.000 7.630) 9.789 4.901 ( -10.448 -0.000 2.025) 10.642 4.941 ( -0.263 -0.000 8.298) 8.302 5.126 ( -3.609 -0.000 2.996) 4.691 5.373 ( 5.674 0.000 -17.307) 18.214 5.595 ( -2.227 -0.000 6.535) 6.904 5.639 ( 8.620 0.000 -1.858) 8.818 5.771 ( 6.186 0.000 7.546) 9.757 5.880 ( -1.587 -0.000 -7.824) 7.984 6.202 ( 7.689 0.000 7.574) 10.793 6.465 ( -0.103 -0.000 0.778) 0.785 6.715 ( 3.784 0.000 -1.339) 4.014 6.818 ( 13.033 0.000 18.631) 22.737 7.149 ( 7.762 0.000 7.665) 10.908 7.277 ( 4.769 0.000 7.967) 9.285 8.007 ( -5.063 -0.000 -8.751) 10.110 8.012 ( 0.530 0.000 -8.180) 8.197 8.714 ( -0.521 -0.000 4.571) 4.601 8.765 ( -3.147 -0.000 7.250) 7.904 8.823 ( 4.612 0.000 -3.654) 5.884 8.925 ( -6.738 -0.000 -7.070) 9.767 9.523 ( 8.434 0.000 -6.593) 10.705 9.551 ( -14.283 -0.000 8.682) 16.715 9.678 ( -3.425 -0.000 4.820) 5.913 9.700 ( -2.458 -0.000 -11.619) 11.877 11.377 ( -7.164 -0.000 9.595) 11.974 11.599 ( 1.109 0.000 -10.674) 10.731 11.705 ( -3.693 -0.000 6.736) 7.682 12.146 ( -1.739 -0.000 -11.926) 12.052 12.775 ( -0.571 -0.000 9.935) 9.951 13.039 ( 5.857 0.000 -7.148) 9.241 13.413 ( 0.765 0.000 3.787) 3.864 13.659 ( 0.663 0.000 -2.699) 2.779 15.180 ( 0.107 0.000 -1.935) 1.938 15.187 ( -3.659 -0.000 1.844) 4.098 16.128 ( 0.116 0.000 0.671) 0.681 16.329 ( -2.304 -0.000 -0.740) 2.420 17.348 ( 2.819 0.000 5.952) 6.586 17.668 ( 4.969 0.000 2.498) 5.561 17.714 ( -7.089 -0.000 0.192) 7.092 18.023 ( -1.316 -0.000 -7.053) 7.175 18.471 ( 4.035 0.000 -1.845) 4.437 18.585 ( 0.848 0.000 -0.325) 0.908 22.007 ( 1.411 0.000 -0.364) 1.457 22.221 ( -1.487 -0.000 -1.275) 1.959 26.597 ( 1.957 0.000 -0.208) 1.968 26.691 ( 1.517 0.000 -0.586) 1.627 28.087 ( -1.959 -0.000 0.990) 2.195 28.244 ( -1.357 -0.000 -5.540) 5.703 29.141 ( 1.049 0.000 7.355) 7.429 29.255 ( 5.782 0.000 -3.290) 6.653 30.110 ( -3.966 -0.000 0.482) 3.995 30.272 ( -10.405 -0.000 0.280) 10.408 31.174 ( -10.187 -0.000 27.263) 29.104 32.293 ( -12.696 -0.000 -12.933) 18.123 34.215 ( 7.948 0.000 7.540) 10.956 34.432 ( 2.683 0.000 -3.735) 4.599 34.569 ( 0.680 0.000 2.717) 2.801 34.786 ( 7.552 0.000 -8.444) 11.329 ======================= Grid point 278 (141/160) ======================= q-point: ( 0.44 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -2.283 1.862 -3.163) 4.323 1.468 ( -3.272 -1.335 -4.024) 5.355 1.847 ( 1.361 7.910 -13.133) 15.391 2.121 ( 7.711 7.348 -5.009) 11.771 2.372 ( 5.787 -13.105 -8.199) 16.506 2.495 ( 4.113 -7.167 -2.619) 8.668 3.034 ( -9.212 -9.214 -4.566) 13.806 3.431 ( -13.297 -6.262 -11.795) 18.845 3.633 ( -2.799 -3.570 22.357) 22.812 3.942 ( 5.707 5.467 -5.069) 9.389 4.067 ( 0.941 2.028 -6.198) 6.589 4.102 ( -6.719 -2.017 -0.595) 7.041 4.367 ( 8.047 -6.353 -4.270) 11.106 4.623 ( -4.400 2.970 2.973) 6.084 4.827 ( -0.538 1.426 -4.132) 4.404 4.941 ( -3.351 2.143 13.482) 14.056 5.100 ( -5.313 0.150 3.284) 6.248 5.328 ( 6.348 2.738 -14.410) 15.982 5.583 ( -5.437 -0.141 5.788) 7.943 5.683 ( 3.969 0.319 0.231) 3.988 5.735 ( 5.181 5.151 -1.362) 7.432 5.930 ( 4.228 -0.098 -5.986) 7.329 6.260 ( 6.427 2.917 5.784) 9.126 6.443 ( -0.731 0.775 3.240) 3.411 6.775 ( 4.969 -0.868 2.387) 5.581 6.970 ( 8.861 -1.051 14.055) 16.649 7.208 ( 5.726 1.703 6.682) 8.963 7.332 ( 3.511 0.861 8.502) 9.239 7.867 ( -6.210 4.971 -9.299) 12.237 7.988 ( 0.774 1.003 -9.217) 9.304 8.663 ( -0.405 4.457 7.200) 8.477 8.728 ( -1.277 2.262 1.881) 3.207 8.823 ( -5.470 3.040 -4.025) 7.440 8.905 ( 3.897 -2.421 -3.199) 5.593 9.461 ( -10.488 -0.304 6.708) 12.454 9.560 ( 6.242 0.565 -1.939) 6.561 9.664 ( -0.211 -1.254 -2.917) 3.183 9.733 ( -3.833 -5.412 -6.927) 9.590 11.349 ( -6.937 0.470 10.397) 12.507 11.577 ( 2.280 -0.189 -11.073) 11.307 11.717 ( -2.677 -1.248 7.880) 8.416 12.097 ( -2.082 -0.816 -12.725) 12.920 12.788 ( -0.707 1.489 9.900) 10.036 13.036 ( 4.350 1.870 -8.010) 9.305 13.454 ( 2.196 -1.505 4.741) 5.437 13.666 ( -0.065 -1.301 -3.266) 3.516 15.152 ( -2.594 1.280 1.721) 3.366 15.168 ( 0.011 1.023 -1.450) 1.775 16.165 ( 1.710 -2.694 2.188) 3.869 16.349 ( -2.781 -4.442 -1.675) 5.502 17.390 ( 2.869 0.122 7.314) 7.858 17.661 ( -5.167 -0.131 1.989) 5.539 17.711 ( 2.931 0.559 -0.529) 3.030 17.977 ( -1.613 1.258 -7.806) 8.070 18.498 ( 4.066 -0.026 -1.438) 4.313 18.569 ( -0.695 1.536 -0.010) 1.686 22.030 ( 2.186 -0.906 0.895) 2.530 22.216 ( -2.753 -1.727 -2.330) 3.999 26.610 ( 2.215 0.431 0.368) 2.286 26.694 ( 0.460 0.195 -1.105) 1.213 28.077 ( -0.543 0.283 1.087) 1.247 28.209 ( -1.834 0.517 -4.735) 5.104 29.142 ( -0.023 2.843 7.044) 7.596 29.258 ( 4.997 2.810 -3.927) 6.948 30.038 ( -1.880 4.277 1.773) 4.997 30.182 ( -8.303 2.138 0.001) 8.574 31.259 ( -5.664 -5.145 26.418) 27.504 32.125 ( -9.155 2.647 -16.514) 19.067 34.181 ( 5.142 7.983 4.481) 10.500 34.402 ( -1.327 5.314 -4.064) 6.820 34.609 ( 6.102 -3.577 5.474) 8.944 34.929 ( 2.101 -9.591 -6.735) 11.906 ======================= Grid point 279 (142/160) ======================= q-point: (-0.44 -0.67 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -5.713 -1.048 1.372) 5.968 1.504 ( 2.247 -4.194 -7.599) 8.965 1.785 ( 6.681 -0.281 -1.337) 6.820 2.006 ( 6.223 7.697 -5.218) 11.190 2.543 ( -8.730 -2.917 5.335) 10.638 2.658 ( 7.613 -12.461 -13.543) 19.917 3.193 ( -5.220 -11.738 1.631) 12.949 3.436 ( -8.848 -7.270 -10.501) 15.537 3.739 ( -4.208 -0.851 17.097) 17.628 3.926 ( 10.688 3.519 -0.498) 11.264 4.017 ( -0.440 -1.718 -0.622) 1.880 4.158 ( -2.999 -7.530 -3.966) 9.023 4.408 ( -5.181 4.760 1.166) 7.132 4.582 ( 6.659 -2.904 -8.692) 11.328 4.773 ( -1.975 3.845 0.673) 4.375 4.918 ( -2.485 0.706 2.410) 3.533 5.062 ( -6.352 0.821 8.237) 10.434 5.323 ( 8.182 -1.051 -9.562) 12.628 5.562 ( -4.049 -0.202 2.677) 4.858 5.674 ( 1.462 4.279 1.289) 4.702 5.685 ( -0.044 1.009 -1.542) 1.843 5.864 ( 6.493 7.724 -7.866) 12.794 6.221 ( 5.986 7.490 5.379) 10.993 6.428 ( -4.663 0.755 -0.408) 4.741 6.814 ( 6.111 2.540 5.509) 8.611 7.042 ( 1.385 1.931 2.141) 3.199 7.240 ( 3.867 0.849 6.949) 7.998 7.334 ( 1.492 3.844 8.342) 9.306 7.732 ( -4.304 1.034 -3.907) 5.904 7.939 ( 1.125 0.890 -10.512) 10.609 8.630 ( -0.972 1.689 9.334) 9.535 8.669 ( -3.482 2.433 1.940) 4.670 8.744 ( 0.088 1.499 -2.334) 2.776 8.930 ( 2.788 -0.437 -8.775) 9.218 9.450 ( -5.684 -0.926 9.839) 11.400 9.595 ( 0.572 -1.127 4.956) 5.114 9.686 ( 4.559 -1.253 -9.808) 10.888 9.765 ( -2.326 -2.846 -7.505) 8.357 11.333 ( -6.201 -0.348 11.720) 13.264 11.571 ( 3.808 -0.742 -11.506) 12.142 11.757 ( -1.683 -1.517 9.511) 9.777 12.060 ( -1.030 -0.693 -12.399) 12.461 12.780 ( -1.066 1.897 9.148) 9.403 12.989 ( 3.012 2.961 -8.409) 9.411 13.523 ( 2.825 -1.851 4.744) 5.824 13.676 ( -1.235 -1.333 -3.528) 3.968 15.115 ( -2.552 1.117 2.323) 3.627 15.142 ( 1.173 1.526 -1.699) 2.567 16.265 ( 3.078 -4.529 4.336) 6.985 16.426 ( -2.530 -6.286 -3.307) 7.540 17.440 ( 1.330 -0.836 10.021) 10.143 17.638 ( -3.108 -0.012 1.075) 3.288 17.694 ( 1.018 2.532 -0.722) 2.823 17.901 ( -1.516 2.165 -9.651) 10.006 18.516 ( 2.140 0.673 -0.866) 2.405 18.526 ( -0.254 2.252 0.204) 2.276 22.080 ( 2.902 -1.752 2.492) 4.208 22.223 ( -3.644 -2.391 -3.212) 5.414 26.618 ( 1.980 0.665 1.119) 2.369 26.684 ( -0.664 0.196 -1.793) 1.922 28.078 ( 1.191 0.203 1.073) 1.616 28.169 ( -2.050 0.596 -3.568) 4.158 29.093 ( -1.172 3.684 5.752) 6.930 29.205 ( 3.642 4.412 -4.876) 7.517 29.967 ( 0.924 3.571 2.704) 4.574 30.070 ( -5.299 3.770 -0.887) 6.563 31.416 ( -3.682 -5.630 24.173) 25.092 31.981 ( -3.377 1.272 -16.883) 17.264 34.090 ( 3.827 6.215 3.369) 8.039 34.252 ( -4.097 5.905 -4.026) 8.238 34.763 ( 8.683 -3.681 6.819) 11.638 35.057 ( -3.243 -6.402 -6.989) 10.018 ======================= Grid point 280 (143/160) ======================= q-point: (-0.33 -0.67 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -7.440 -3.439 5.185) 9.699 1.581 ( 6.107 -3.537 -12.506) 14.360 1.835 ( 2.351 1.450 4.051) 4.903 1.937 ( 6.073 2.865 -6.904) 9.631 2.558 ( -7.425 -3.794 13.005) 15.448 2.845 ( 3.231 -6.548 -13.241) 15.121 3.338 ( -5.165 -5.805 6.137) 9.901 3.504 ( 2.736 -5.706 -9.818) 11.681 3.710 ( -10.683 2.651 12.495) 16.651 3.878 ( 9.200 5.447 -6.465) 12.494 4.147 ( -2.347 -6.091 6.947) 9.533 4.260 ( -1.858 -6.669 -4.351) 8.177 4.344 ( 1.739 -0.799 9.362) 9.555 4.640 ( 4.691 -0.365 -13.530) 14.325 4.691 ( 1.133 3.485 3.206) 4.869 4.843 ( -4.019 4.025 -10.620) 12.047 5.057 ( -7.154 -1.344 17.991) 19.408 5.401 ( 5.332 -3.654 -12.052) 13.676 5.545 ( -4.010 4.604 9.146) 10.997 5.613 ( -4.088 -2.221 0.563) 4.687 5.667 ( 2.833 -1.980 -4.973) 6.057 5.736 ( 7.608 7.488 -8.801) 13.835 6.154 ( 8.756 7.098 9.257) 14.586 6.330 ( -8.167 2.537 -7.337) 11.268 6.818 ( 4.710 3.224 7.316) 9.280 6.954 ( -1.484 5.325 -3.899) 6.764 7.204 ( 0.759 7.096 5.266) 8.869 7.279 ( -1.881 4.447 -1.779) 5.146 7.771 ( 1.709 -5.131 4.851) 7.265 7.916 ( -0.729 -1.384 -8.244) 8.392 8.619 ( -2.674 -0.859 5.777) 6.423 8.654 ( 1.164 0.126 1.980) 2.300 8.734 ( 0.206 0.116 2.386) 2.398 8.919 ( 1.231 -0.092 -10.651) 10.723 9.459 ( -4.182 -0.552 11.324) 12.084 9.624 ( -2.716 -0.386 6.790) 7.323 9.702 ( 4.833 0.297 -11.861) 12.811 9.768 ( 1.743 -0.939 -6.781) 7.064 11.346 ( -5.473 -1.453 12.355) 13.591 11.585 ( 4.809 -1.127 -11.516) 12.531 11.804 ( -1.058 -1.043 9.946) 10.057 12.021 ( 0.307 0.263 -11.274) 11.281 12.763 ( -1.851 1.647 8.035) 8.408 12.929 ( 2.730 2.431 -8.487) 9.241 13.590 ( 2.942 -1.307 4.233) 5.318 13.669 ( -2.492 -0.547 -3.458) 4.297 15.090 ( -1.866 0.446 1.864) 2.675 15.120 ( 1.253 1.239 -1.104) 2.080 16.389 ( 3.122 -3.814 5.660) 7.505 16.504 ( -1.667 -4.799 -5.513) 7.497 17.508 ( -1.425 -2.376 11.573) 11.900 17.602 ( -3.806 1.867 0.011) 4.239 17.641 ( 1.232 3.515 3.160) 4.884 17.838 ( 1.221 -0.343 -12.317) 12.382 18.473 ( -2.492 1.932 1.708) 3.586 18.512 ( 3.020 1.872 -2.057) 4.106 22.153 ( 3.869 -2.118 3.415) 5.579 22.223 ( -4.164 -1.882 -3.436) 5.717 26.619 ( -0.194 0.629 2.417) 2.505 26.674 ( 0.629 -0.204 -3.029) 3.101 28.092 ( 1.860 0.107 1.326) 2.287 28.136 ( -1.545 0.098 -3.123) 3.485 29.039 ( -1.211 2.421 3.591) 4.498 29.129 ( 2.348 4.180 -4.969) 6.904 29.933 ( 1.958 2.251 2.348) 3.797 29.970 ( -2.990 2.837 -1.040) 4.251 31.549 ( -4.512 -3.393 21.837) 22.555 31.918 ( 1.320 -0.754 -14.885) 14.962 34.039 ( 4.110 3.414 3.405) 6.335 34.113 ( -5.077 3.605 -3.970) 7.385 34.900 ( 5.318 -1.659 8.562) 10.215 35.082 ( -2.766 -2.578 -9.409) 10.140 ======================= Grid point 281 (144/160) ======================= q-point: (-0.22 -0.67 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -5.398 -2.330 6.294) 8.613 1.601 ( 3.957 2.393 -11.012) 11.944 1.867 ( 1.881 -2.129 0.686) 2.923 1.895 ( 0.527 -0.456 -6.215) 6.254 2.624 ( -4.237 -0.934 14.299) 14.942 2.855 ( 2.876 2.852 -10.530) 11.282 3.382 ( -6.770 -1.341 8.614) 11.038 3.588 ( -5.505 1.246 6.576) 8.666 3.619 ( 5.291 -2.005 -5.254) 7.721 3.860 ( 10.648 2.196 -7.663) 13.302 4.192 ( -8.097 -3.007 8.740) 12.288 4.354 ( -0.162 0.893 0.180) 0.925 4.480 ( 4.306 -8.261 3.234) 9.861 4.554 ( -1.358 4.922 -9.755) 11.010 4.669 ( -5.016 3.729 -8.277) 10.372 4.714 ( 6.676 1.546 1.346) 6.984 5.097 ( -7.010 -1.031 20.646) 21.828 5.417 ( -1.599 -1.086 -10.267) 10.447 5.460 ( 3.569 0.816 -0.958) 3.784 5.585 ( 4.298 5.452 -6.270) 9.355 5.753 ( -3.514 -9.304 -1.258) 10.025 5.817 ( 3.099 -8.698 -0.640) 9.256 6.149 ( 7.763 5.123 11.706) 14.951 6.195 ( -5.643 0.930 -10.693) 12.126 6.817 ( -1.240 1.075 1.388) 2.149 6.843 ( 0.843 4.057 0.964) 4.254 7.067 ( -0.985 8.527 0.725) 8.614 7.109 ( -0.038 10.141 -3.133) 10.614 7.898 ( 1.189 -3.626 2.165) 4.387 7.909 ( -1.487 -1.079 -3.036) 3.549 8.657 ( 0.338 1.122 2.060) 2.370 8.685 ( 2.046 -3.914 -0.218) 4.422 8.744 ( -2.330 -0.448 6.968) 7.361 8.889 ( 0.801 0.052 -9.172) 9.207 9.485 ( -3.911 -1.267 10.047) 10.856 9.623 ( -3.075 -0.281 5.147) 6.003 9.679 ( 2.979 0.683 -6.908) 7.554 9.781 ( 4.528 -0.024 -8.139) 9.314 11.376 ( -5.273 -1.533 12.053) 13.245 11.606 ( 4.914 -1.140 -11.111) 12.203 11.836 ( -2.725 -0.356 8.210) 8.658 11.998 ( 3.231 -0.709 -8.800) 9.402 12.742 ( -2.819 1.454 6.983) 7.670 12.892 ( 3.482 1.055 -8.258) 9.024 13.626 ( -2.408 0.213 -0.131) 2.421 13.654 ( 1.809 -0.579 0.406) 1.942 15.083 ( -1.086 -0.431 1.095) 1.601 15.108 ( 0.693 0.618 -0.407) 1.014 16.460 ( -0.946 -0.174 4.011) 4.124 16.544 ( 1.649 -1.961 -5.580) 6.140 17.491 ( -7.511 2.756 4.832) 9.347 17.573 ( 3.149 2.894 2.241) 4.828 17.654 ( -0.767 -3.935 10.266) 11.021 17.855 ( 3.710 -3.278 -12.151) 13.121 18.426 ( -2.846 1.546 1.461) 3.553 18.488 ( 2.219 1.735 -2.010) 3.460 22.202 ( -4.342 -0.653 -2.575) 5.090 22.233 ( 4.470 -1.385 3.041) 5.581 26.609 ( -2.450 0.104 2.091) 3.223 26.680 ( 2.607 0.090 -2.726) 3.773 28.101 ( -1.239 -0.376 -0.317) 1.333 28.132 ( 1.823 -0.417 -1.160) 2.200 29.013 ( -0.226 0.602 1.063) 1.242 29.060 ( 1.243 2.982 -3.696) 4.909 29.907 ( -1.897 0.873 0.358) 2.119 29.940 ( 1.828 -0.276 0.327) 1.878 31.614 ( -7.203 -1.043 20.028) 21.309 31.925 ( 4.740 -2.310 -12.756) 13.803 34.015 ( -5.050 1.384 -3.356) 6.219 34.052 ( 6.091 0.552 3.725) 7.161 34.908 ( -10.415 0.790 2.178) 10.670 35.108 ( 9.857 -0.105 -4.318) 10.762 ======================= Grid point 282 (145/160) ======================= q-point: (-0.11 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -2.433 -1.038 3.405) 4.312 1.503 ( 1.097 4.500 -9.382) 10.463 1.870 ( -2.913 1.027 -0.961) 3.235 1.986 ( 5.284 -5.041 -0.934) 7.363 2.575 ( -6.781 2.515 -6.493) 9.719 2.786 ( 8.547 7.212 6.856) 13.117 3.358 ( -7.235 -0.700 6.065) 9.467 3.551 ( -6.600 0.492 12.661) 14.286 3.720 ( 12.029 -0.134 -0.660) 12.048 3.898 ( 8.725 -1.441 -11.517) 14.521 4.197 ( -7.168 -0.357 -0.787) 7.220 4.280 ( -0.011 2.796 -0.635) 2.867 4.427 ( -6.104 1.935 0.492) 6.422 4.488 ( -3.222 1.866 -8.260) 9.061 4.721 ( 5.675 -3.691 -1.052) 6.851 4.749 ( 8.620 0.400 3.401) 9.276 5.103 ( -6.215 2.008 19.588) 20.648 5.420 ( 2.500 -1.447 -13.872) 14.170 5.514 ( 3.271 1.423 -2.311) 4.250 5.544 ( 1.808 -4.140 -1.313) 4.705 5.862 ( -5.870 -4.556 3.113) 8.057 5.965 ( -5.139 -9.930 -4.276) 11.971 6.045 ( -3.920 5.714 -6.275) 9.348 6.277 ( 9.921 -3.766 5.511) 11.957 6.740 ( -3.936 2.413 -4.081) 6.161 6.830 ( -5.469 0.474 -7.135) 9.002 6.861 ( 5.379 9.145 5.935) 12.157 7.001 ( 6.634 5.555 8.148) 11.885 7.890 ( -2.545 -1.158 -3.965) 4.852 7.953 ( 1.087 -0.212 0.838) 1.389 8.621 ( -3.041 2.445 4.197) 5.731 8.706 ( 0.135 -0.087 -1.273) 1.283 8.796 ( 0.069 -1.709 0.495) 1.781 8.889 ( 3.347 -0.707 -3.755) 5.080 9.483 ( -5.175 0.690 8.318) 9.821 9.634 ( -3.702 -1.323 6.824) 7.875 9.707 ( 4.986 -2.052 -9.432) 10.864 9.794 ( 3.800 -1.879 -5.861) 7.233 11.395 ( -5.601 -0.754 11.344) 12.674 11.626 ( 4.342 -1.067 -10.959) 11.836 11.829 ( -5.121 0.075 5.897) 7.811 12.045 ( 5.767 -2.682 -5.893) 8.671 12.714 ( -3.332 1.330 6.583) 7.497 12.888 ( 4.472 -0.257 -7.887) 9.070 13.580 ( -4.255 0.986 -1.598) 4.651 13.687 ( 2.956 0.023 1.373) 3.259 15.096 ( -0.647 -1.310 -0.176) 1.471 15.107 ( 0.127 -0.308 0.681) 0.758 16.412 ( -4.442 3.026 0.871) 5.446 16.566 ( 4.147 0.960 -3.106) 5.269 17.406 ( -5.222 2.997 7.201) 9.387 17.544 ( 1.949 2.359 1.502) 3.409 17.779 ( -1.530 -5.733 7.143) 9.286 17.922 ( 4.463 -4.190 -9.579) 11.368 18.384 ( -2.751 0.826 0.729) 2.963 18.477 ( 2.037 0.470 -1.618) 2.644 22.159 ( -4.301 0.867 -1.780) 4.734 22.290 ( 4.370 0.143 2.556) 5.065 26.595 ( -2.530 -0.222 0.648) 2.621 26.686 ( 2.728 0.770 -1.381) 3.153 28.095 ( -2.231 -1.000 -1.679) 2.966 28.162 ( 2.254 -1.109 0.359) 2.537 29.014 ( 0.356 1.496 -1.112) 1.898 29.021 ( 1.324 -0.894 -1.536) 2.216 29.900 ( -2.579 -1.681 0.969) 3.228 29.990 ( 1.896 -3.631 -0.650) 4.148 31.614 ( -10.385 0.736 19.108) 21.760 31.989 ( 6.641 -4.154 -11.722) 14.099 33.961 ( -4.326 -0.422 -2.698) 5.116 34.128 ( 8.259 -1.105 4.725) 9.579 34.773 ( -13.977 2.564 -3.408) 14.613 35.167 ( 10.888 2.222 -0.202) 11.114 ======================= Grid point 287 (146/160) ======================= q-point: (-0.56 -0.56 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -5.420 -0.000 -2.412) 5.933 1.403 ( -5.857 -0.000 -0.707) 5.900 1.911 ( -9.380 -0.000 -7.185) 11.816 2.094 ( 8.111 0.000 -23.617) 24.971 2.367 ( 4.893 0.000 2.383) 5.442 2.440 ( 10.075 0.000 -3.908) 10.807 2.887 ( -3.595 -0.000 2.027) 4.127 3.222 ( -12.043 -0.000 -12.458) 17.327 3.645 ( -3.449 -0.000 24.142) 24.387 3.979 ( -8.880 -0.000 0.514) 8.895 3.989 ( 0.026 0.000 -4.542) 4.542 4.167 ( 8.493 0.000 -16.070) 18.176 4.349 ( 11.958 0.000 1.414) 12.041 4.587 ( -13.863 -0.000 0.286) 13.865 4.867 ( 6.629 0.000 1.110) 6.722 4.992 ( -3.167 -0.000 14.880) 15.213 5.055 ( -6.780 -0.000 0.026) 6.780 5.353 ( 6.485 0.000 -15.990) 17.255 5.540 ( -10.088 -0.000 10.722) 14.722 5.712 ( 6.278 0.000 -9.148) 11.095 5.849 ( 0.188 0.000 0.582) 0.612 5.918 ( 7.348 0.000 -1.049) 7.422 6.360 ( 7.140 0.000 3.412) 7.914 6.447 ( -2.864 -0.000 0.140) 2.867 6.840 ( 8.691 0.000 10.084) 13.313 7.063 ( 5.923 0.000 7.852) 9.836 7.286 ( 4.222 0.000 6.265) 7.555 7.392 ( 3.186 0.000 7.171) 7.847 7.840 ( -7.807 -0.000 -8.506) 11.545 7.960 ( 0.191 0.000 -10.296) 10.298 8.728 ( 1.168 0.000 -1.586) 1.969 8.785 ( -3.373 -0.000 12.471) 12.919 8.795 ( -5.254 -0.000 -3.746) 6.453 8.890 ( 6.951 0.000 -3.273) 7.683 9.397 ( -12.447 -0.000 9.293) 15.534 9.600 ( 0.953 0.000 -6.856) 6.922 9.630 ( 9.882 0.000 -11.107) 14.867 9.636 ( -5.669 -0.000 3.390) 6.606 11.336 ( -6.711 -0.000 10.617) 12.560 11.558 ( 2.953 0.000 -10.837) 11.232 11.715 ( -1.385 -0.000 8.246) 8.361 12.024 ( -2.566 -0.000 -12.974) 13.225 12.830 ( -1.173 -0.000 10.287) 10.354 13.060 ( 3.851 0.000 -8.944) 9.738 13.474 ( 2.541 0.000 5.373) 5.944 13.638 ( -0.640 -0.000 -4.140) 4.189 15.147 ( -3.459 -0.000 2.762) 4.426 15.177 ( 1.165 0.000 -1.983) 2.300 16.162 ( 2.960 0.000 1.919) 3.528 16.275 ( -3.249 -0.000 -2.216) 3.933 17.444 ( 4.454 0.000 5.858) 7.359 17.605 ( -6.507 -0.000 0.467) 6.523 17.759 ( 3.772 0.000 2.539) 4.547 17.953 ( -1.481 -0.000 -7.947) 8.083 18.524 ( 3.860 0.000 -0.783) 3.939 18.572 ( -2.147 -0.000 -0.544) 2.215 22.045 ( 3.197 0.000 1.148) 3.397 22.166 ( -3.583 -0.000 -2.741) 4.511 26.633 ( 2.280 0.000 0.810) 2.420 26.695 ( 0.021 0.000 -1.812) 1.812 28.081 ( 0.018 0.000 1.775) 1.775 28.183 ( -1.871 -0.000 -4.796) 5.148 29.193 ( -0.880 -0.000 7.217) 7.271 29.309 ( 4.262 0.000 -4.142) 5.943 30.082 ( 0.137 0.000 0.706) 0.719 30.134 ( -7.962 -0.000 2.084) 8.230 31.277 ( -0.911 -0.000 28.700) 28.714 32.014 ( -8.900 -0.000 -19.279) 21.234 34.338 ( 1.800 0.000 6.637) 6.877 34.447 ( 2.496 0.000 -3.700) 4.463 34.605 ( 0.394 0.000 5.331) 5.345 34.813 ( 3.740 0.000 -9.759) 10.451 ======================= Grid point 288 (147/160) ======================= q-point: (-0.44 -0.56 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -11.795 0.951 3.691) 12.395 1.421 ( 0.718 -4.054 -2.564) 4.850 1.830 ( 1.278 -0.022 0.885) 1.555 2.075 ( 1.185 0.435 -18.727) 18.770 2.418 ( -7.821 -1.698 2.614) 8.420 2.516 ( 8.247 -5.599 -8.008) 12.786 2.996 ( 3.559 -8.920 6.774) 11.752 3.179 ( -8.158 -7.601 -10.418) 15.260 3.733 ( -4.629 -2.189 21.827) 22.420 3.950 ( -2.287 -2.536 2.735) 4.375 4.009 ( -0.423 -3.656 -3.183) 4.866 4.113 ( 8.784 5.468 -13.308) 16.857 4.429 ( -6.961 2.282 1.832) 7.552 4.511 ( 4.527 -3.785 -7.817) 9.794 4.867 ( -0.303 4.642 6.185) 7.739 4.972 ( 2.684 2.799 -0.820) 3.963 5.032 ( -8.077 -0.790 11.522) 14.093 5.342 ( 6.091 0.566 -12.440) 13.863 5.515 ( -7.656 -1.302 6.192) 9.932 5.710 ( 5.046 1.474 -8.988) 10.413 5.793 ( 0.131 5.201 5.868) 7.843 5.963 ( 4.306 0.953 -7.542) 8.736 6.385 ( 4.811 3.069 2.348) 6.171 6.416 ( -2.406 1.225 -0.552) 2.755 6.932 ( 8.142 1.452 10.685) 13.512 7.079 ( -0.928 2.150 -0.321) 2.364 7.320 ( 3.517 1.225 6.726) 7.688 7.407 ( -1.268 1.497 1.917) 2.743 7.735 ( -3.943 2.912 0.576) 4.935 7.918 ( -0.802 0.745 -12.154) 12.203 8.697 ( -2.942 2.661 1.300) 4.174 8.726 ( 0.011 4.690 7.579) 8.913 8.758 ( -0.854 0.601 -0.074) 1.047 8.925 ( 3.206 0.864 -7.306) 8.025 9.391 ( -6.433 -3.757 11.808) 13.962 9.595 ( -3.933 0.011 4.091) 5.675 9.643 ( 1.903 -4.393 -11.421) 12.384 9.689 ( 7.909 -1.082 -6.823) 10.501 11.323 ( -5.930 0.028 11.819) 13.223 11.553 ( 4.166 -0.422 -11.010) 11.779 11.752 ( -0.371 -1.366 9.966) 10.066 11.984 ( -1.149 -1.643 -12.451) 12.611 12.837 ( -1.523 1.582 9.785) 10.028 13.032 ( 2.726 2.211 -9.455) 10.086 13.526 ( 2.427 -1.520 5.235) 5.967 13.627 ( -1.552 -1.163 -4.677) 5.063 15.123 ( -2.922 0.887 3.065) 4.327 15.171 ( 1.544 1.032 -1.782) 2.574 16.227 ( 4.091 -3.281 2.796) 5.943 16.287 ( -3.092 -4.494 -3.061) 6.255 17.486 ( 2.601 0.833 7.561) 8.039 17.580 ( -3.798 -1.691 -1.540) 4.433 17.773 ( 2.886 2.158 3.197) 4.818 17.897 ( -1.862 1.706 -8.651) 9.012 18.532 ( -2.253 1.136 0.569) 2.586 18.554 ( 2.275 0.164 -1.431) 2.693 22.086 ( 3.548 -1.003 2.331) 4.362 22.145 ( -3.710 -1.637 -3.298) 5.227 26.647 ( 1.599 0.582 1.055) 2.002 26.680 ( -0.631 0.435 -2.250) 2.377 28.093 ( 1.202 -0.133 1.979) 2.319 28.151 ( -1.781 0.399 -3.866) 4.275 29.171 ( -2.281 3.261 6.641) 7.742 29.290 ( 2.820 3.219 -5.010) 6.589 30.053 ( 1.038 3.091 3.116) 4.511 30.084 ( -3.414 1.901 0.098) 3.909 31.411 ( 1.843 -2.884 28.072) 28.280 31.896 ( -4.332 -0.360 -20.161) 20.624 34.264 ( 2.091 7.751 4.577) 9.241 34.349 ( -2.422 7.987 -3.866) 9.198 34.724 ( 3.197 -7.256 6.435) 10.212 34.887 ( -0.322 -7.001 -9.332) 11.670 ======================= Grid point 289 (148/160) ======================= q-point: (-0.33 -0.56 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -12.392 -3.211 6.782) 14.487 1.519 ( 6.951 -4.690 -8.181) 11.715 1.864 ( -3.137 -0.393 2.038) 3.761 2.021 ( 4.122 3.917 -11.114) 12.484 2.384 ( -13.238 -7.128 10.157) 18.144 2.696 ( 5.588 -8.800 -10.374) 14.707 3.234 ( 5.374 -7.875 7.994) 12.442 3.317 ( 2.560 -12.084 -7.940) 14.684 3.719 ( -11.402 3.119 13.641) 18.051 4.019 ( -3.608 -3.605 0.981) 5.194 4.050 ( 7.169 3.136 -4.556) 9.054 4.109 ( 2.171 -6.150 -0.773) 6.567 4.356 ( -4.247 -0.467 6.552) 7.822 4.573 ( 3.274 -1.264 -13.781) 14.221 4.791 ( -0.475 3.183 5.606) 6.464 4.920 ( 4.987 5.724 -7.119) 10.408 5.023 ( -9.361 -0.876 17.170) 19.575 5.348 ( 2.897 -0.921 -8.727) 9.242 5.516 ( -2.418 -2.629 -0.146) 3.575 5.669 ( -3.317 4.066 2.894) 5.992 5.703 ( 3.917 5.197 -1.623) 6.707 5.906 ( 5.515 5.330 -9.756) 12.410 6.313 ( -6.658 4.072 -3.696) 8.635 6.368 ( 7.144 5.698 4.466) 10.171 6.947 ( 0.060 4.908 4.105) 6.399 6.996 ( -0.369 2.821 -3.710) 4.676 7.324 ( -2.137 3.747 2.252) 4.866 7.344 ( 0.749 2.511 2.266) 3.464 7.721 ( -0.386 -1.696 8.602) 8.776 7.855 ( -1.076 0.030 -12.402) 12.448 8.621 ( -4.065 1.957 4.734) 6.539 8.707 ( 3.777 1.934 4.718) 6.346 8.749 ( -0.236 0.360 1.626) 1.682 8.891 ( 1.359 0.759 -10.687) 10.800 9.442 ( -5.741 -1.497 11.149) 12.629 9.603 ( -3.323 -1.958 5.813) 6.976 9.688 ( 4.447 -1.393 -11.674) 12.569 9.748 ( 6.846 -1.475 -6.132) 9.308 11.327 ( -5.043 -0.642 12.781) 13.755 11.564 ( 5.140 -0.901 -11.429) 12.564 11.814 ( 0.007 -1.228 11.226) 11.293 11.975 ( 0.713 -1.508 -11.441) 11.562 12.817 ( -1.802 2.315 8.663) 9.146 12.968 ( 1.947 2.815 -9.410) 10.013 13.594 ( 2.081 -1.873 4.584) 5.371 13.619 ( -2.622 -1.166 -4.620) 5.439 15.095 ( -2.246 0.911 2.849) 3.740 15.153 ( 1.606 1.504 -1.405) 2.611 16.351 ( 3.467 -4.772 3.211) 6.716 16.360 ( -1.681 -6.329 -3.928) 7.636 17.504 ( -3.038 -0.180 8.121) 8.673 17.586 ( -0.528 -0.510 -0.204) 0.762 17.750 ( 2.991 3.821 4.317) 6.494 17.818 ( -0.184 1.513 -10.278) 10.390 18.485 ( -3.790 1.386 1.423) 4.279 18.557 ( 2.491 1.226 -2.094) 3.477 22.139 ( -2.539 -2.204 -1.900) 3.862 22.158 ( 3.080 -2.067 1.744) 4.098 26.629 ( -2.364 1.068 0.450) 2.633 26.677 ( 2.233 -0.092 -1.507) 2.696 28.112 ( 0.320 0.533 0.137) 0.637 28.121 ( 0.317 -0.134 -1.272) 1.318 29.100 ( -2.659 3.784 5.275) 7.015 29.212 ( 1.769 4.608 -5.763) 7.588 30.002 ( -2.178 3.052 -0.336) 3.765 30.023 ( 3.112 4.072 3.188) 6.036 31.557 ( 0.415 -1.675 25.066) 25.125 31.843 ( 0.900 -2.159 -17.882) 18.035 34.149 ( -2.856 6.191 0.005) 6.818 34.181 ( 1.671 6.318 0.431) 6.549 34.856 ( -5.869 -3.910 2.175) 7.379 34.997 ( 6.136 -6.319 -5.443) 10.354 ======================= Grid point 290 (149/160) ======================= q-point: (-0.22 -0.56 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -8.557 -5.487 7.861) 12.850 1.629 ( 8.656 -2.163 -8.942) 12.632 1.847 ( -2.437 1.139 -1.296) 2.985 1.870 ( -7.366 0.663 -9.925) 12.378 2.532 ( -3.816 -6.128 11.485) 13.566 2.837 ( 2.355 -6.168 -6.590) 9.328 3.390 ( 4.295 -1.155 10.792) 11.673 3.535 ( 1.781 -7.376 -6.200) 9.799 3.593 ( -4.680 1.813 6.025) 7.841 4.019 ( 9.091 5.438 -3.269) 11.086 4.061 ( -7.827 -4.476 4.369) 10.019 4.267 ( 1.807 -8.955 0.235) 9.138 4.391 ( -5.168 -1.734 3.614) 6.540 4.549 ( 1.640 -0.803 -8.997) 9.180 4.731 ( -2.006 7.019 -5.433) 9.100 4.826 ( 6.470 3.427 3.472) 8.103 5.056 ( -8.975 -3.707 18.953) 21.296 5.353 ( 1.407 -1.352 -13.128) 13.272 5.532 ( -5.927 3.261 6.175) 9.159 5.573 ( 0.174 -0.796 -1.074) 1.349 5.711 ( 5.387 -2.799 -2.650) 6.624 5.809 ( 8.911 6.627 -8.696) 14.105 6.140 ( -8.744 4.420 -8.671) 13.083 6.349 ( 8.142 4.854 8.590) 12.792 6.827 ( -6.172 3.081 -5.019) 8.531 6.923 ( -0.282 5.262 -0.128) 5.272 7.213 ( -0.994 6.325 2.914) 7.034 7.284 ( 1.870 6.587 1.602) 7.032 7.796 ( -3.526 -4.061 -2.722) 6.028 7.857 ( 0.715 -3.730 -0.378) 3.817 8.629 ( 0.244 -2.929 4.027) 4.986 8.707 ( 4.404 2.229 -0.990) 5.035 8.760 ( -1.489 0.319 8.527) 8.662 8.848 ( -0.510 -0.212 -11.318) 11.331 9.454 ( -5.968 -1.635 9.337) 11.201 9.626 ( -1.703 -0.021 5.933) 6.172 9.687 ( 3.527 0.756 -9.220) 9.900 9.796 ( 5.864 -0.279 -6.008) 8.400 11.351 ( -4.731 -1.219 12.761) 13.665 11.586 ( 5.268 -1.086 -11.492) 12.688 11.852 ( -1.292 0.528 8.374) 8.490 11.979 ( 3.127 -1.175 -7.730) 8.421 12.783 ( -2.247 2.400 7.354) 8.056 12.910 ( 2.287 1.562 -8.899) 9.320 13.595 ( -3.385 -0.307 -3.616) 4.963 13.656 ( 1.831 -1.589 3.267) 4.068 15.077 ( -1.567 0.302 2.082) 2.623 15.132 ( 1.185 1.413 -0.884) 2.045 16.425 ( -1.929 -3.797 -4.543) 6.227 16.479 ( 2.748 -4.145 2.365) 5.507 17.487 ( -5.751 0.674 4.442) 7.298 17.603 ( -0.573 -1.325 6.981) 7.129 17.695 ( 0.416 4.061 2.398) 4.735 17.810 ( 6.178 -1.119 -8.651) 10.689 18.435 ( -3.652 1.477 1.492) 4.213 18.531 ( 1.332 2.042 -2.379) 3.406 22.142 ( -3.102 -1.623 -3.093) 4.671 22.242 ( 4.241 -2.305 3.491) 5.957 26.593 ( -3.204 0.403 0.553) 3.276 26.695 ( 2.859 -0.171 -1.401) 3.188 28.085 ( -1.480 0.443 -1.827) 2.393 28.145 ( 2.557 -0.156 0.814) 2.688 29.039 ( -1.675 2.190 3.061) 4.120 29.121 ( 1.108 4.038 -5.293) 6.749 29.930 ( -0.918 2.742 -1.002) 3.061 29.987 ( 2.306 3.093 2.885) 4.817 31.631 ( -3.848 0.413 21.021) 21.375 31.866 ( 4.636 -3.121 -13.681) 14.778 34.017 ( -4.269 3.542 -2.964) 6.289 34.141 ( 6.007 2.569 4.318) 7.831 34.815 ( -12.335 -0.494 -3.555) 12.847 35.149 ( 9.412 -3.551 -0.732) 10.086 ======================= Grid point 291 (150/160) ======================= q-point: (-0.11 -0.56 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -6.057 -3.631 4.045) 8.139 1.585 ( 0.239 5.628 -7.031) 9.009 1.807 ( -0.707 -5.062 -4.878) 7.065 1.945 ( 2.817 -4.002 0.495) 4.919 2.535 ( -6.128 1.929 -5.106) 8.207 2.925 ( 2.822 -1.089 6.123) 6.830 3.387 ( -2.718 3.405 7.866) 8.992 3.541 ( -1.539 -1.093 11.046) 11.206 3.744 ( 10.652 -5.213 -4.133) 12.559 3.969 ( 5.480 3.109 -5.023) 8.058 4.093 ( -4.925 -1.999 2.082) 5.708 4.282 ( -6.029 1.992 -9.140) 11.129 4.399 ( -7.470 -0.259 -3.817) 8.392 4.519 ( -0.118 4.089 -4.979) 6.444 4.673 ( 4.295 -4.995 5.357) 8.491 4.859 ( 7.524 1.710 6.829) 10.304 5.126 ( -6.779 -2.387 19.418) 20.705 5.335 ( -0.094 -1.780 -11.498) 11.635 5.519 ( 4.133 -1.367 0.177) 4.357 5.608 ( 1.156 -1.016 -3.293) 3.635 5.711 ( 1.388 -0.253 -2.756) 3.096 5.789 ( -4.761 0.162 -3.955) 6.191 6.049 ( -0.214 -1.919 -10.069) 10.252 6.365 ( 7.485 2.501 10.315) 12.987 6.725 ( -4.989 1.491 -5.641) 7.677 6.799 ( -5.959 3.640 -4.391) 8.249 7.096 ( 5.093 8.953 3.502) 10.879 7.180 ( 2.198 5.922 5.971) 8.692 7.814 ( -2.854 -2.770 -5.059) 6.435 7.930 ( -1.283 -2.672 0.324) 2.982 8.685 ( 1.415 3.775 1.047) 4.165 8.708 ( 1.265 0.180 -1.333) 1.847 8.745 ( -1.671 -3.023 2.811) 4.453 8.863 ( 1.420 -2.964 -2.259) 3.988 9.478 ( -4.892 -1.457 8.124) 9.595 9.615 ( -1.150 1.148 3.163) 3.556 9.678 ( 2.001 -0.825 -4.727) 5.199 9.808 ( 4.719 0.857 -6.540) 8.110 11.378 ( -4.917 -0.929 11.984) 12.987 11.605 ( 4.457 -0.871 -10.859) 11.770 11.834 ( -2.436 1.627 4.235) 5.150 12.021 ( 4.376 -2.106 -4.009) 6.297 12.745 ( -2.499 2.045 6.412) 7.179 12.888 ( 3.098 0.006 -8.095) 8.668 13.557 ( -3.330 0.392 -2.425) 4.138 13.702 ( 1.586 -0.896 1.997) 2.703 15.074 ( -0.961 -0.491 0.997) 1.469 15.115 ( 0.540 0.840 -0.226) 1.024 16.425 ( -2.633 0.766 -1.941) 3.360 16.561 ( 1.973 -2.482 -1.014) 3.329 17.444 ( -3.550 1.795 6.401) 7.536 17.618 ( 0.552 3.087 1.126) 3.332 17.690 ( -2.931 -4.099 8.464) 9.850 17.868 ( 7.283 -2.256 -8.859) 11.689 18.386 ( -2.953 1.335 0.680) 3.312 18.498 ( 0.661 1.286 -1.776) 2.290 22.131 ( -2.562 -0.359 -2.024) 3.285 22.318 ( 3.428 -1.271 2.744) 4.571 26.572 ( -2.608 -0.234 0.517) 2.669 26.712 ( 2.498 0.225 -1.265) 2.809 28.066 ( -1.315 -0.101 -1.598) 2.072 28.167 ( 2.052 -0.228 0.364) 2.097 29.017 ( 0.055 0.189 0.427) 0.470 29.050 ( 0.530 2.606 -3.333) 4.264 29.885 ( -0.657 1.176 -0.266) 1.373 29.971 ( 1.182 0.428 1.092) 1.665 31.633 ( -7.162 1.659 18.817) 20.202 31.926 ( 5.682 -3.390 -11.360) 13.146 33.935 ( -3.029 1.405 -2.045) 3.915 34.196 ( 8.959 -0.353 5.113) 10.321 34.688 ( -13.814 1.375 -5.233) 14.835 35.253 ( 7.691 -0.698 -0.119) 7.723 ======================= Grid point 297 (151/160) ======================= q-point: (-0.44 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -9.808 -0.000 9.510) 13.661 1.326 ( -6.226 -0.000 6.310) 8.864 1.801 ( -3.240 -0.000 0.527) 3.282 2.033 ( 6.101 0.000 -19.537) 20.467 2.393 ( -4.821 -0.000 0.596) 4.858 2.438 ( -6.706 -0.000 -4.901) 8.306 2.986 ( 10.022 0.000 10.759) 14.704 3.021 ( -3.880 -0.000 -8.702) 9.528 3.763 ( -2.566 -0.000 22.143) 22.291 3.896 ( -3.445 -0.000 2.477) 4.243 3.998 ( 5.493 0.000 -1.480) 5.688 4.147 ( 2.768 0.000 -22.656) 22.825 4.374 ( -9.528 -0.000 -0.145) 9.529 4.551 ( 12.747 0.000 1.546) 12.841 4.932 ( -7.583 -0.000 -3.279) 8.262 4.953 ( -3.164 -0.000 13.040) 13.419 5.070 ( 4.303 0.000 6.841) 8.082 5.344 ( 5.927 0.000 -16.824) 17.838 5.462 ( -9.089 -0.000 12.032) 15.079 5.729 ( 1.810 0.000 -5.872) 6.145 5.873 ( 3.508 0.000 -1.402) 3.778 5.962 ( 1.938 0.000 -6.008) 6.313 6.388 ( -4.052 -0.000 -1.085) 4.195 6.460 ( 4.922 0.000 -0.505) 4.948 7.040 ( 5.768 0.000 9.400) 11.029 7.077 ( -4.539 -0.000 -7.468) 8.739 7.373 ( 1.978 0.000 6.971) 7.246 7.385 ( -5.799 -0.000 -3.916) 6.997 7.759 ( -1.121 -0.000 7.048) 7.137 7.880 ( -0.794 -0.000 -10.844) 10.873 8.718 ( -2.728 -0.000 -0.924) 2.880 8.738 ( -0.813 -0.000 2.225) 2.369 8.801 ( -2.143 -0.000 6.055) 6.423 8.968 ( 6.035 0.000 -5.333) 8.053 9.328 ( -6.286 -0.000 13.384) 14.787 9.561 ( -5.940 -0.000 2.093) 6.298 9.600 ( 8.226 0.000 -9.561) 12.612 9.726 ( 8.718 0.000 -6.848) 11.086 11.321 ( -5.003 -0.000 12.573) 13.532 11.548 ( 4.924 0.000 -10.490) 11.589 11.775 ( 0.991 0.000 11.013) 11.058 11.920 ( -0.027 -0.000 -11.480) 11.480 12.871 ( -2.218 -0.000 9.696) 9.946 13.041 ( 2.109 0.000 -10.367) 10.580 13.544 ( 1.816 0.000 5.073) 5.388 13.585 ( -2.062 -0.000 -5.486) 5.861 15.122 ( -2.483 -0.000 3.556) 4.338 15.189 ( 1.779 0.000 -1.473) 2.310 16.211 ( -2.633 -0.000 -2.932) 3.941 16.235 ( 4.697 0.000 1.811) 5.034 17.518 ( -4.757 -0.000 -1.197) 4.905 17.557 ( 5.473 0.000 5.234) 7.573 17.825 ( 2.193 0.000 4.226) 4.761 17.870 ( -2.481 -0.000 -8.384) 8.744 18.517 ( -4.421 -0.000 -0.279) 4.430 18.570 ( 2.428 0.000 -0.244) 2.441 22.089 ( -3.764 -0.000 -2.935) 4.773 22.113 ( 3.986 0.000 2.318) 4.611 26.667 ( -1.753 -0.000 -2.608) 3.143 26.670 ( 1.563 0.000 0.780) 1.747 28.108 ( 1.405 0.000 2.728) 3.069 28.133 ( -0.955 -0.000 -3.369) 3.502 29.203 ( -3.748 -0.000 6.375) 7.395 29.320 ( 1.004 0.000 -5.236) 5.332 30.074 ( -1.635 -0.000 2.081) 2.646 30.126 ( 4.282 0.000 2.042) 4.744 31.522 ( 7.785 0.000 30.078) 31.069 31.793 ( -1.732 -0.000 -22.323) 22.390 34.371 ( -1.446 -0.000 4.243) 4.483 34.453 ( 1.480 0.000 -4.762) 4.986 34.635 ( -2.390 -0.000 7.428) 7.803 34.767 ( -0.996 -0.000 -10.694) 10.740 ======================= Grid point 298 (152/160) ======================= q-point: (-0.33 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -14.240 2.915 15.270) 21.082 1.443 ( 1.764 -6.767 2.527) 7.436 1.788 ( -6.749 -0.870 -2.119) 7.127 2.089 ( 8.626 -0.553 -6.297) 10.694 2.214 ( -13.788 -0.207 2.135) 13.954 2.521 ( -4.370 -9.406 -4.153) 11.172 3.078 ( 2.128 -9.230 -5.480) 10.943 3.202 ( 13.405 -7.789 10.636) 18.801 3.756 ( -7.533 4.129 14.100) 16.510 3.918 ( -3.637 -2.634 4.278) 6.203 4.070 ( 3.430 -1.852 -4.725) 6.125 4.078 ( 2.095 -1.472 -9.721) 10.052 4.335 ( 0.092 -0.105 -1.589) 1.595 4.620 ( 9.222 3.104 -0.793) 9.763 4.832 ( -4.848 2.272 -0.721) 5.402 4.963 ( -7.899 0.535 13.478) 15.631 5.087 ( 5.777 3.566 1.412) 6.935 5.334 ( 3.256 -0.280 -10.830) 11.312 5.458 ( -4.595 -1.325 5.772) 7.496 5.697 ( -4.024 1.265 -0.377) 4.235 5.844 ( 5.432 5.389 -1.772) 7.854 5.943 ( 0.998 0.876 -10.568) 10.651 6.328 ( -4.799 2.712 -2.281) 5.966 6.482 ( 4.233 1.001 -0.371) 4.365 6.956 ( -8.442 3.091 -11.681) 14.740 7.079 ( 2.621 1.220 3.634) 4.644 7.311 ( -6.996 0.981 -4.327) 8.284 7.398 ( 0.261 0.559 4.981) 5.019 7.763 ( -0.760 1.962 9.679) 9.905 7.835 ( 1.125 1.335 -7.250) 7.458 8.658 ( -3.206 3.184 3.755) 5.875 8.740 ( -3.789 -0.225 3.698) 5.299 8.787 ( 3.619 1.988 0.347) 4.144 8.938 ( 5.013 4.009 -5.724) 8.600 9.382 ( -6.351 -3.518 11.007) 13.186 9.544 ( -2.962 -1.985 2.318) 4.253 9.675 ( 9.781 -2.069 -7.099) 12.262 9.768 ( 7.282 -0.394 -6.756) 9.941 11.331 ( -3.918 -0.004 13.398) 13.959 11.557 ( 5.701 -0.339 -10.505) 11.957 11.836 ( 1.544 -0.976 11.971) 12.110 11.911 ( 1.732 -1.979 -10.277) 10.608 12.868 ( -2.515 1.524 8.767) 9.247 12.996 ( 1.318 2.184 -10.529) 10.833 13.560 ( -2.684 -1.068 -5.543) 6.251 13.587 ( 1.196 -1.547 4.485) 4.892 15.108 ( -1.836 0.948 3.639) 4.185 15.188 ( 1.822 1.085 -1.117) 2.397 16.224 ( -1.999 -4.116 -3.572) 5.804 16.314 ( 4.872 -3.691 1.924) 6.408 17.482 ( -4.069 -0.308 -0.906) 4.180 17.609 ( 3.676 0.550 5.137) 6.341 17.805 ( -2.307 1.587 -8.409) 8.863 17.842 ( 2.791 1.349 4.730) 5.655 18.475 ( -4.802 0.600 0.764) 4.899 18.581 ( 1.437 0.395 -1.087) 1.845 22.069 ( -2.968 -1.589 -2.778) 4.365 22.163 ( 3.854 -1.316 2.703) 4.888 26.630 ( -2.658 1.138 -1.563) 3.287 26.685 ( 1.362 -0.296 -0.251) 1.416 28.112 ( -0.347 0.643 -2.437) 2.545 28.134 ( 2.004 -0.368 2.703) 3.385 29.159 ( -4.473 2.987 5.687) 7.827 29.274 ( -0.037 2.951 -5.850) 6.552 30.052 ( 0.802 2.742 0.624) 2.924 30.140 ( 4.949 3.288 3.662) 6.980 31.673 ( 7.490 1.770 23.887) 25.096 31.750 ( 4.002 -2.484 -16.974) 17.615 34.265 ( -5.206 10.555 -3.432) 12.259 34.317 ( 0.812 5.106 4.026) 6.553 34.735 ( -5.060 -3.357 -2.740) 6.661 34.845 ( 1.789 -12.270 -2.800) 12.712 ======================= Grid point 299 (153/160) ======================= q-point: (-0.22 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -9.856 -5.545 16.203) 19.759 1.583 ( 6.092 -5.709 -4.825) 9.643 1.718 ( -11.646 -1.665 -7.726) 14.075 1.903 ( -8.273 7.692 -2.224) 11.513 2.445 ( 7.396 -10.157 11.232) 16.853 2.644 ( -6.136 -9.937 -5.441) 12.884 3.327 ( 5.722 -13.266 -1.590) 14.535 3.446 ( 6.744 -3.190 8.600) 11.384 3.631 ( -5.217 4.006 7.011) 9.613 3.938 ( -5.449 -1.729 2.680) 6.313 4.102 ( 3.380 -4.193 -8.706) 10.237 4.171 ( 4.151 -3.538 2.416) 5.966 4.354 ( 1.092 -0.205 1.873) 2.177 4.569 ( 2.799 4.566 -2.545) 5.930 4.788 ( -2.037 1.409 -2.581) 3.577 4.920 ( -6.011 1.694 14.410) 15.705 5.040 ( 1.187 4.057 2.154) 4.744 5.323 ( 1.932 0.353 -9.868) 10.062 5.478 ( -3.545 -2.335 3.952) 5.800 5.624 ( -4.276 2.892 1.722) 5.441 5.779 ( 6.586 4.296 -1.501) 8.005 5.885 ( 1.905 1.640 -13.897) 14.123 6.189 ( -5.274 6.915 -2.960) 9.187 6.492 ( 5.344 2.072 2.230) 6.151 6.799 ( -8.297 2.582 -9.145) 12.615 7.029 ( -2.581 5.795 -0.120) 6.345 7.250 ( -3.602 -1.003 -3.337) 5.012 7.376 ( -1.388 2.586 -0.937) 3.081 7.740 ( -1.319 1.075 3.299) 3.712 7.823 ( 1.704 -0.040 1.690) 2.401 8.618 ( -0.614 0.284 5.661) 5.702 8.742 ( -2.685 -1.637 3.247) 4.520 8.772 ( 1.983 1.613 -2.889) 3.858 8.882 ( 5.647 4.877 -4.225) 8.575 9.397 ( -7.748 -1.704 7.376) 10.832 9.599 ( -0.681 -2.953 3.682) 4.768 9.728 ( 7.650 1.414 -6.187) 9.940 9.812 ( 5.546 -0.853 -4.816) 7.394 11.349 ( -3.610 -0.209 13.473) 13.950 11.576 ( 6.050 -0.538 -10.888) 12.467 11.882 ( 0.540 0.373 4.494) 4.541 11.951 ( 3.120 -2.299 -2.267) 4.489 12.837 ( -2.567 2.412 7.468) 8.257 12.927 ( 1.246 2.131 -10.034) 10.333 13.543 ( -2.737 -1.118 -4.651) 5.511 13.642 ( 0.613 -2.020 3.667) 4.231 15.087 ( -1.366 1.081 3.152) 3.601 15.170 ( 1.495 1.730 -0.833) 2.434 16.295 ( -1.313 -5.743 -5.004) 7.730 16.436 ( 3.465 -4.378 2.203) 6.002 17.459 ( -3.757 -0.546 0.005) 3.796 17.617 ( -1.930 1.151 7.234) 7.575 17.739 ( 0.333 1.910 -6.343) 6.632 17.863 ( 6.101 1.204 3.047) 6.926 18.431 ( -4.422 0.776 1.571) 4.757 18.565 ( 0.396 1.520 -2.254) 2.747 22.079 ( -1.712 -2.071 -2.765) 3.855 22.237 ( 3.377 -2.420 2.867) 5.048 26.583 ( -2.964 0.945 -0.151) 3.115 26.702 ( 1.642 -0.563 -1.105) 2.058 28.087 ( -0.039 1.063 -1.628) 1.945 28.165 ( 2.205 -0.187 1.977) 2.968 29.083 ( -3.682 3.079 4.375) 6.494 29.185 ( 0.001 4.050 -6.134) 7.350 29.993 ( 1.769 4.118 -0.940) 4.580 30.102 ( 3.234 5.308 4.427) 7.631 31.709 ( 1.641 1.674 7.238) 7.608 31.818 ( 6.944 -1.009 -0.201) 7.019 34.057 ( -5.527 5.597 -2.635) 8.296 34.260 ( 4.506 3.874 4.398) 7.393 34.697 ( -10.227 -0.890 -5.772) 11.777 35.084 ( 4.886 -9.518 -1.171) 10.762 ======================= Grid point 300 (154/160) ======================= q-point: (-0.11 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -4.170 -4.288 11.606) 13.057 1.622 ( -11.837 0.535 -4.629) 12.721 1.713 ( 6.538 -2.704 -4.359) 8.310 1.820 ( 0.304 -6.862 -4.284) 8.095 2.542 ( -2.941 2.410 -0.852) 3.896 2.832 ( -0.285 -10.831 3.575) 11.409 3.406 ( -7.924 1.480 4.026) 9.010 3.570 ( 3.017 -3.445 12.753) 13.551 3.705 ( 10.549 -5.432 -1.490) 11.959 3.919 ( -5.558 -0.899 -1.349) 5.790 4.164 ( 6.673 -0.996 -9.546) 11.690 4.280 ( -2.010 6.915 0.772) 7.242 4.296 ( -0.450 -4.197 -1.955) 4.652 4.538 ( -2.310 0.284 0.083) 2.329 4.698 ( 0.316 3.356 1.510) 3.693 4.941 ( -0.514 -0.429 14.625) 14.640 5.036 ( -4.797 -4.367 7.824) 10.163 5.280 ( 0.711 0.275 -14.173) 14.193 5.508 ( -1.429 -1.772 6.918) 7.282 5.565 ( -0.614 1.144 -1.334) 1.861 5.766 ( 3.430 3.798 -2.772) 5.819 5.877 ( 8.033 -2.208 -10.987) 13.788 5.999 ( -3.298 6.900 -1.957) 7.895 6.497 ( 5.126 2.861 4.845) 7.612 6.684 ( -6.307 0.974 -6.412) 9.047 6.850 ( -7.003 7.565 -1.740) 10.455 7.247 ( -2.515 -0.201 -1.937) 3.181 7.269 ( 0.595 6.064 -3.351) 6.954 7.744 ( -1.039 -1.150 2.224) 2.711 7.862 ( -0.344 -2.686 0.657) 2.787 8.674 ( 1.132 -3.246 3.894) 5.194 8.733 ( -0.632 1.511 -1.227) 2.046 8.784 ( 1.787 -1.066 -7.068) 7.368 8.814 ( 2.270 3.174 4.580) 6.017 9.410 ( -5.967 -3.097 6.884) 9.623 9.641 ( -1.374 -0.619 5.223) 5.436 9.709 ( 5.321 3.495 -5.744) 8.574 9.835 ( 3.719 0.507 -5.114) 6.343 11.370 ( -3.940 -0.452 12.849) 13.447 11.594 ( 5.626 -0.432 -10.877) 12.254 11.869 ( -0.044 1.843 1.398) 2.313 12.008 ( 2.775 -1.534 -0.008) 3.171 12.792 ( -2.517 2.610 6.045) 7.049 12.883 ( 1.950 0.422 -8.797) 9.021 13.528 ( -1.836 -0.465 -2.886) 3.451 13.691 ( 0.149 -1.689 2.451) 2.980 15.071 ( -0.930 0.496 2.234) 2.470 15.144 ( 0.917 1.697 -0.577) 2.014 16.367 ( -0.473 -4.058 -5.459) 6.818 16.524 ( 0.628 -2.625 2.017) 3.370 17.450 ( -1.972 -0.510 2.505) 3.228 17.611 ( -3.833 -1.356 3.580) 5.417 17.692 ( -0.323 2.409 2.028) 3.165 17.904 ( 8.105 0.893 -1.164) 8.237 18.388 ( -3.426 1.059 1.126) 3.759 18.523 ( -0.345 1.843 -2.172) 2.870 22.095 ( -0.624 -1.383 -2.053) 2.553 22.313 ( 2.107 -2.303 2.160) 3.796 26.554 ( -2.167 0.146 0.903) 2.352 26.721 ( 1.577 -0.478 -1.723) 2.384 28.064 ( 0.170 0.930 -1.029) 1.397 28.184 ( 1.643 0.214 0.847) 1.861 29.030 ( -1.797 1.379 2.119) 3.102 29.095 ( 0.179 3.356 -5.041) 6.059 29.930 ( 1.822 3.494 -1.159) 4.108 30.033 ( 0.915 4.545 3.230) 5.650 31.693 ( -3.661 3.093 15.285) 16.018 31.882 ( 6.365 -2.087 -7.711) 10.214 33.947 ( -2.787 2.529 -1.575) 4.080 34.285 ( 8.896 0.647 5.164) 10.306 34.589 ( -12.472 0.824 -6.046) 13.885 35.246 ( 3.657 -4.744 -1.760) 6.243 ======================= Grid point 307 (155/160) ======================= q-point: (-0.33 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -3.338 -0.000 20.991) 21.255 1.294 ( -6.708 -0.000 13.671) 15.228 1.752 ( -8.638 -0.000 6.934) 11.076 2.069 ( 8.936 0.000 -7.217) 11.486 2.239 ( -13.402 -0.000 -1.805) 13.523 2.253 ( -9.303 -0.000 -2.686) 9.683 2.999 ( 5.095 0.000 -1.661) 5.359 3.276 ( 16.533 0.000 12.135) 20.509 3.835 ( -3.229 -0.000 15.268) 15.606 3.851 ( -11.429 -0.000 3.512) 11.956 3.965 ( -0.938 -0.000 -16.487) 16.513 4.133 ( 9.613 0.000 2.287) 9.882 4.341 ( 5.620 0.000 -7.560) 9.420 4.743 ( 8.933 0.000 1.455) 9.051 4.799 ( -4.592 -0.000 -3.943) 6.053 4.966 ( -8.418 -0.000 19.305) 21.061 5.165 ( 3.830 0.000 0.223) 3.836 5.308 ( 4.883 0.000 -18.006) 18.656 5.448 ( -4.076 -0.000 14.526) 15.087 5.655 ( -8.703 -0.000 -0.767) 8.736 5.915 ( -1.937 -0.000 -7.250) 7.504 5.938 ( 8.639 0.000 -9.208) 12.626 6.315 ( -4.062 -0.000 -2.969) 5.032 6.499 ( 1.229 0.000 -1.991) 2.339 6.865 ( -10.082 -0.000 -15.100) 18.157 7.075 ( -3.531 -0.000 -4.644) 5.834 7.255 ( -7.732 -0.000 -3.170) 8.356 7.395 ( -3.735 -0.000 -0.685) 3.797 7.816 ( -0.508 -0.000 10.815) 10.827 7.858 ( 3.747 0.000 0.881) 3.849 8.697 ( -0.514 -0.000 1.323) 1.419 8.709 ( -5.649 -0.000 6.610) 8.695 8.845 ( 4.251 0.000 2.000) 4.698 8.993 ( 4.293 0.000 -9.786) 10.686 9.335 ( -6.748 -0.000 13.194) 14.819 9.526 ( 0.247 0.000 4.598) 4.604 9.722 ( 14.313 0.000 -7.722) 16.263 9.791 ( 5.788 0.000 -7.381) 9.380 11.353 ( -2.519 -0.000 14.016) 14.241 11.567 ( 6.362 0.000 -9.803) 11.687 11.875 ( 3.103 0.000 -9.494) 9.988 11.885 ( 2.448 0.000 13.378) 13.600 12.888 ( -3.289 -0.000 8.060) 8.705 12.991 ( 0.880 0.000 -11.162) 11.197 13.509 ( -2.601 -0.000 -5.674) 6.242 13.592 ( 0.483 0.000 4.029) 4.058 15.121 ( -0.736 -0.000 3.982) 4.050 15.210 ( 1.797 0.000 -0.600) 1.895 16.164 ( -0.957 -0.000 -2.716) 2.880 16.316 ( 4.599 0.000 0.612) 4.639 17.443 ( -3.214 -0.000 -3.100) 4.466 17.660 ( 1.485 0.000 3.819) 4.098 17.778 ( -0.132 -0.000 -7.103) 7.104 17.887 ( 1.797 0.000 5.868) 6.137 18.443 ( -5.150 -0.000 0.770) 5.207 18.588 ( 0.071 0.000 -0.435) 0.441 22.025 ( -2.274 -0.000 -1.979) 3.014 22.185 ( 3.150 0.000 2.170) 3.825 26.614 ( -2.807 -0.000 -2.074) 3.490 26.687 ( 0.370 0.000 -0.129) 0.391 28.116 ( 1.229 0.000 -1.889) 2.254 28.154 ( 1.757 0.000 3.423) 3.848 29.168 ( -5.712 -0.000 5.348) 7.825 29.276 ( -1.593 -0.000 -5.866) 6.078 30.105 ( 3.973 0.000 1.077) 4.116 30.226 ( 5.633 0.000 4.055) 6.941 31.680 ( 6.751 0.000 -22.816) 23.794 31.904 ( 17.026 0.000 27.289) 32.165 34.365 ( -2.147 -0.000 3.104) 3.774 34.397 ( -4.503 -0.000 -9.646) 10.646 34.622 ( -5.934 -0.000 7.654) 9.685 34.658 ( -3.871 -0.000 -7.424) 8.372 ======================= Grid point 308 (156/160) ======================= q-point: (-0.22 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -6.386 5.804 26.656) 28.018 1.498 ( 1.972 -6.830 5.634) 9.071 1.631 ( -13.947 3.885 3.582) 14.915 1.995 ( -4.351 7.967 -2.122) 9.322 2.264 ( -2.484 -14.900 -0.405) 15.111 2.384 ( -2.080 -10.137 2.049) 10.549 3.151 ( 7.912 -9.677 2.272) 12.704 3.486 ( 12.238 -2.978 11.030) 16.742 3.689 ( -7.802 3.454 3.319) 9.155 3.908 ( -3.445 -2.353 9.407) 10.291 3.959 ( 1.110 -3.499 -11.086) 11.678 4.200 ( 6.654 0.348 2.658) 7.174 4.370 ( 6.469 -0.595 -6.721) 9.347 4.686 ( -1.186 4.394 -6.071) 7.588 4.801 ( 2.506 2.673 4.244) 5.607 4.947 ( -8.881 1.378 20.265) 22.168 5.139 ( 1.490 4.002 -3.560) 5.560 5.304 ( 3.401 -0.621 -13.383) 13.822 5.467 ( -1.197 0.421 9.108) 9.196 5.590 ( -9.010 -1.288 0.539) 9.118 5.845 ( -3.409 2.389 -8.209) 9.204 5.931 ( 7.964 3.761 -8.243) 12.063 6.241 ( -4.052 3.021 -3.437) 6.113 6.508 ( 0.776 -1.444 -3.780) 4.120 6.745 ( -8.138 0.988 -8.430) 11.759 7.024 ( -6.707 -1.322 -10.857) 12.830 7.171 ( -7.861 0.516 -4.306) 8.978 7.356 ( -5.040 -0.490 -4.466) 6.752 7.814 ( 1.220 3.228 9.335) 9.952 7.884 ( 3.078 2.084 5.766) 6.860 8.656 ( -0.973 1.935 5.259) 5.688 8.713 ( -2.313 -0.316 3.395) 4.120 8.828 ( 1.885 4.144 -0.804) 4.623 8.994 ( 6.823 1.593 -6.110) 9.297 9.332 ( -7.536 -1.267 8.624) 11.522 9.573 ( 2.623 -1.528 5.930) 6.662 9.798 ( 8.731 1.058 -8.885) 12.502 9.818 ( 7.139 -1.116 -3.948) 8.234 11.377 ( -2.189 0.594 14.036) 14.218 11.586 ( 6.872 -0.010 -9.798) 11.968 11.887 ( 3.939 -0.971 -7.717) 8.719 11.953 ( 1.465 -0.765 11.598) 11.715 12.872 ( -3.915 1.266 6.640) 7.812 12.940 ( 0.899 1.861 -10.813) 11.009 13.487 ( -1.667 -1.191 -4.530) 4.972 13.620 ( -0.213 -1.517 3.360) 3.693 15.117 ( -0.091 1.466 3.759) 4.035 15.209 ( 1.489 1.255 -0.255) 1.964 16.186 ( -0.092 -3.487 -2.882) 4.525 16.387 ( 3.522 -3.620 -0.013) 5.050 17.417 ( -2.470 -0.697 -3.066) 3.998 17.630 ( -6.358 1.062 0.993) 6.523 17.776 ( 5.536 1.765 -1.543) 6.012 17.925 ( 3.666 -0.199 5.278) 6.429 18.409 ( -4.675 0.082 1.603) 4.943 18.577 ( -0.987 0.623 -1.444) 1.857 22.024 ( -0.792 -1.745 -1.685) 2.552 22.226 ( 2.008 -1.561 1.674) 3.045 26.579 ( -2.653 0.812 -0.631) 2.845 26.693 ( 0.199 -0.667 -1.031) 1.244 28.113 ( 2.000 1.191 -1.121) 2.584 28.183 ( 1.686 -0.335 2.958) 3.422 29.116 ( -5.504 2.265 4.782) 7.635 29.220 ( -1.515 2.275 -6.143) 6.724 30.101 ( 5.072 4.239 -0.145) 6.612 30.241 ( 3.984 4.198 5.021) 7.662 31.697 ( 10.174 -2.123 -19.518) 22.112 32.033 ( 12.937 8.499 22.813) 27.569 34.131 ( -8.952 9.345 -4.136) 13.586 34.355 ( 0.493 1.805 4.373) 4.756 34.601 ( -6.588 -0.004 -7.360) 9.878 34.845 ( -1.975 -16.449 0.569) 16.577 ======================= Grid point 309 (157/160) ======================= q-point: (-0.11 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -1.829 -4.369 22.319) 22.816 1.498 ( -10.822 -0.062 2.860) 11.194 1.627 ( 2.849 -5.811 -2.244) 6.850 1.853 ( 2.553 5.975 -1.153) 6.599 2.428 ( -16.329 -10.623 -3.795) 19.846 2.633 ( 7.935 -10.677 4.555) 14.061 3.364 ( -2.176 -4.533 2.719) 5.716 3.536 ( 1.043 -1.091 8.510) 8.643 3.731 ( 8.643 -1.284 5.093) 10.114 3.915 ( 1.703 1.307 -0.327) 2.172 4.049 ( -0.652 -7.052 -9.354) 11.732 4.258 ( 2.817 -1.388 3.841) 4.962 4.405 ( 3.786 0.931 -0.656) 3.953 4.574 ( -0.354 5.184 0.197) 5.199 4.741 ( -2.134 3.069 1.865) 4.177 4.952 ( -5.896 -0.751 18.480) 19.412 5.027 ( -4.124 4.558 -1.381) 6.300 5.268 ( 3.543 1.677 -14.061) 14.597 5.489 ( -3.180 -1.943 6.238) 7.267 5.575 ( -0.030 -0.083 0.914) 0.918 5.773 ( -1.613 -2.216 -14.112) 14.376 5.891 ( 6.840 4.379 -0.342) 8.129 6.135 ( -0.485 5.541 -0.283) 5.570 6.536 ( 0.971 -1.679 -6.239) 6.533 6.650 ( -5.620 1.755 0.813) 5.944 6.907 ( -9.018 4.188 -7.593) 12.511 7.131 ( -6.414 -4.017 -10.234) 12.729 7.296 ( -4.927 0.933 -6.829) 8.472 7.797 ( 2.133 3.280 10.188) 10.914 7.869 ( 2.187 2.198 3.017) 4.326 8.673 ( 2.149 -0.231 5.681) 6.079 8.717 ( -1.031 -1.587 -1.549) 2.446 8.756 ( -1.832 2.178 1.395) 3.170 8.959 ( 6.152 5.701 -5.717) 10.150 9.338 ( -5.340 -2.131 8.076) 9.913 9.637 ( 1.236 -1.031 5.818) 6.037 9.792 ( 5.706 1.930 -8.795) 10.660 9.857 ( 3.967 0.955 -1.646) 4.400 11.390 ( -2.980 0.709 13.589) 13.930 11.604 ( 6.873 0.179 -10.279) 12.366 11.901 ( 2.920 0.573 -3.669) 4.724 12.005 ( 0.165 -0.990 6.131) 6.213 12.832 ( -4.275 1.791 5.797) 7.423 12.882 ( 2.010 1.421 -10.153) 10.447 13.495 ( 0.142 -1.315 -2.616) 2.932 13.660 ( -0.931 -2.002 2.472) 3.315 15.096 ( -0.092 1.700 3.177) 3.605 15.185 ( 0.929 2.035 -0.289) 2.255 16.262 ( 0.979 -5.060 -3.642) 6.311 16.475 ( 0.551 -3.490 -0.109) 3.535 17.418 ( -0.990 -1.660 -1.241) 2.297 17.571 ( -6.346 -0.054 0.779) 6.394 17.765 ( 3.280 3.338 3.665) 5.944 17.978 ( 6.075 0.397 2.349) 6.526 18.379 ( -3.658 0.348 1.769) 4.078 18.541 ( -1.450 1.399 -2.339) 3.088 22.058 ( 0.896 -2.072 -1.565) 2.747 22.281 ( 0.356 -2.587 0.960) 2.782 26.550 ( -1.642 0.456 1.097) 2.026 26.707 ( 0.332 -1.037 -2.036) 2.309 28.097 ( 2.140 1.814 -0.410) 2.835 28.203 ( 1.064 0.230 1.721) 2.036 29.050 ( -3.882 1.993 3.504) 5.596 29.139 ( -0.586 3.128 -5.966) 6.762 30.039 ( 4.852 5.708 -1.194) 7.586 30.165 ( 0.804 6.975 4.628) 8.409 31.755 ( 7.676 -0.279 -7.821) 10.962 31.968 ( 2.566 8.427 13.706) 16.293 33.968 ( -3.695 2.719 -1.212) 4.745 34.374 ( 5.908 -0.011 5.280) 7.924 34.500 ( -9.258 1.563 -7.100) 11.771 35.100 ( -1.227 -11.463 -3.184) 11.960 ======================= Grid point 317 (158/160) ======================= q-point: (-0.22 -0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -6.259 -0.000 15.896) 17.083 1.453 ( 3.647 0.000 16.623) 17.019 1.618 ( -16.832 -0.000 19.629) 25.857 1.999 ( -7.218 -0.000 -10.528) 12.765 2.078 ( -5.966 -0.000 1.091) 6.065 2.317 ( 12.520 0.000 7.383) 14.535 3.128 ( 7.226 0.000 8.611) 11.242 3.562 ( -9.290 -0.000 3.663) 9.986 3.652 ( 11.077 0.000 3.710) 11.682 3.892 ( 0.534 0.000 9.162) 9.177 3.956 ( 4.650 0.000 -5.352) 7.090 4.257 ( 2.706 0.000 3.902) 4.748 4.395 ( 8.208 0.000 -9.580) 12.615 4.678 ( 0.173 0.000 -10.994) 10.995 4.882 ( 0.395 0.000 5.218) 5.233 4.960 ( -10.432 -0.000 22.369) 24.682 5.171 ( -2.952 -0.000 -0.879) 3.080 5.293 ( 8.942 0.000 -14.033) 16.640 5.472 ( -13.073 -0.000 -2.900) 13.391 5.494 ( -1.824 -0.000 6.634) 6.880 5.841 ( -1.984 -0.000 -1.044) 2.242 5.990 ( 7.736 0.000 -13.199) 15.299 6.206 ( -5.508 -0.000 -7.615) 9.399 6.484 ( -0.546 -0.000 -2.173) 2.241 6.666 ( -5.835 -0.000 -5.203) 7.818 6.883 ( -10.888 -0.000 -17.632) 20.723 7.098 ( -9.509 -0.000 -4.807) 10.655 7.285 ( -6.302 -0.000 -6.069) 8.749 7.894 ( 1.744 0.000 11.029) 11.166 7.955 ( 3.326 0.000 7.587) 8.284 8.685 ( -3.225 -0.000 6.862) 7.582 8.709 ( 0.491 0.000 1.656) 1.727 8.929 ( 2.721 0.000 4.473) 5.235 8.990 ( 5.211 0.000 -11.845) 12.941 9.304 ( -4.856 -0.000 9.291) 10.483 9.615 ( 3.523 0.000 9.496) 10.129 9.801 ( 2.273 0.000 -8.078) 8.391 9.892 ( 13.963 0.000 -8.759) 16.483 11.418 ( -1.472 -0.000 13.891) 13.968 11.611 ( 7.582 0.000 -9.214) 11.932 11.884 ( 5.456 0.000 -7.961) 9.651 11.995 ( -0.328 -0.000 12.188) 12.192 12.868 ( -5.546 -0.000 5.222) 7.618 12.928 ( 0.817 0.000 -11.174) 11.204 13.456 ( 0.395 0.000 -3.039) 3.064 13.612 ( -0.820 -0.000 2.814) 2.931 15.153 ( 1.676 0.000 3.450) 3.835 15.232 ( 1.167 0.000 0.359) 1.221 16.150 ( 1.083 0.000 -1.400) 1.770 16.371 ( 2.620 0.000 -1.236) 2.896 17.382 ( -1.539 -0.000 -4.097) 4.377 17.570 ( -9.864 -0.000 -0.913) 9.907 17.860 ( 9.820 0.000 -0.639) 9.840 17.956 ( 1.661 0.000 6.621) 6.826 18.381 ( -4.162 -0.000 2.032) 4.632 18.565 ( -2.413 -0.000 -1.212) 2.700 22.000 ( 0.189 0.000 -0.518) 0.552 22.223 ( 0.344 0.000 0.494) 0.602 26.566 ( -2.133 -0.000 -0.217) 2.145 26.680 ( -0.624 -0.000 -1.292) 1.435 28.145 ( 3.748 0.000 -1.135) 3.916 28.200 ( 1.030 0.000 3.557) 3.703 29.109 ( -6.161 -0.000 4.722) 7.763 29.207 ( -1.911 -0.000 -6.010) 6.306 30.194 ( 6.632 0.000 0.206) 6.635 30.329 ( 3.002 0.000 5.469) 6.238 31.708 ( 16.115 0.000 -20.498) 26.074 32.343 ( 18.689 0.000 15.283) 24.143 34.163 ( -15.057 -0.000 -10.454) 18.331 34.346 ( -3.186 -0.000 2.441) 4.014 34.562 ( -7.773 -0.000 6.930) 10.413 34.591 ( -0.973 -0.000 -2.718) 2.887 ======================= Grid point 318 (159/160) ======================= q-point: (-0.11 -0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -4.935 2.483 19.703) 20.463 1.501 ( -7.539 1.608 12.181) 14.416 1.591 ( 3.829 -0.555 9.767) 10.506 1.997 ( -4.076 3.022 4.802) 6.986 2.036 ( -6.372 -8.791 -7.429) 13.156 2.527 ( 8.510 -8.274 5.410) 13.044 3.285 ( 2.995 -4.861 6.997) 9.031 3.498 ( -9.961 -5.178 3.805) 11.853 3.801 ( 11.816 0.402 5.975) 13.247 3.949 ( 4.931 -0.238 -6.617) 8.256 3.976 ( 5.676 -0.851 7.987) 9.835 4.274 ( -0.018 0.019 3.675) 3.676 4.418 ( 6.139 -0.148 -7.713) 9.859 4.643 ( 3.555 1.827 -5.912) 7.137 4.829 ( -4.529 5.019 2.419) 7.180 4.939 ( -10.014 0.206 20.708) 23.003 5.082 ( -6.531 4.742 -1.866) 8.284 5.308 ( 7.154 2.095 -8.581) 11.367 5.390 ( -10.880 -2.777 -2.823) 11.578 5.531 ( -0.113 -4.415 -5.196) 6.820 5.768 ( 0.639 5.179 -0.260) 5.225 5.996 ( 5.973 1.646 -4.965) 7.940 6.164 ( -2.463 -0.827 -4.032) 4.796 6.480 ( 1.196 -1.106 -5.102) 5.356 6.629 ( -5.168 -0.332 1.397) 5.364 6.770 ( -11.524 -3.355 -19.173) 22.620 7.012 ( -8.456 -0.634 -5.647) 10.188 7.221 ( -7.083 -0.642 -7.650) 10.445 7.918 ( 3.444 2.982 10.249) 11.216 7.967 ( 2.292 3.459 6.137) 7.408 8.684 ( -0.272 -0.393 4.463) 4.489 8.716 ( 0.219 0.357 2.112) 2.153 8.843 ( 0.189 7.015 1.556) 7.188 9.030 ( 3.109 0.226 -8.395) 8.955 9.318 ( -0.941 -0.566 9.482) 9.545 9.670 ( 2.816 0.169 8.660) 9.108 9.793 ( 1.210 -0.561 -8.203) 8.310 9.935 ( 9.306 2.335 -6.610) 11.651 11.436 ( -2.448 1.342 13.688) 13.969 11.635 ( 7.718 0.495 -9.433) 12.198 11.913 ( 5.853 -0.651 -6.744) 8.953 12.013 ( -3.449 0.237 9.416) 10.031 12.827 ( -6.266 0.652 3.760) 7.337 12.891 ( 1.724 0.971 -9.929) 10.124 13.473 ( 2.706 -1.110 -1.344) 3.219 13.625 ( -1.591 -1.379 2.120) 2.988 15.154 ( 1.804 2.401 3.010) 4.252 15.226 ( 0.587 1.501 0.451) 1.674 16.188 ( 2.116 -2.979 -1.002) 3.789 16.411 ( 0.371 -2.889 -2.213) 3.658 17.375 ( -0.162 -1.461 -3.040) 3.377 17.504 ( -9.026 -1.039 0.202) 9.088 17.885 ( 6.518 3.885 3.147) 8.215 18.016 ( 4.379 -1.460 3.106) 5.564 18.361 ( -3.171 -0.084 2.412) 3.985 18.534 ( -2.882 0.451 -2.179) 3.641 22.026 ( 1.819 -1.887 -0.324) 2.641 22.235 ( -1.493 -1.673 -0.362) 2.271 26.551 ( -1.057 0.318 1.136) 1.584 26.678 ( -0.692 -0.956 -2.089) 2.400 28.155 ( 4.024 1.762 -0.517) 4.423 28.218 ( 0.450 -0.010 2.549) 2.589 29.063 ( -5.264 1.486 4.347) 6.987 29.158 ( -1.053 1.690 -5.989) 6.312 30.191 ( 6.715 5.296 -0.478) 8.566 30.309 ( 0.245 5.356 5.058) 7.370 31.793 ( 17.752 -0.751 -15.763) 23.752 32.292 ( 1.853 16.859 12.444) 21.036 33.981 ( -5.503 2.640 -1.401) 6.262 34.357 ( -5.359 -2.118 0.871) 5.827 34.495 ( 0.068 1.944 -2.595) 3.243 34.788 ( -5.386 -16.465 -0.253) 17.325 ======================= Grid point 327 (160/160) ======================= q-point: (-0.11 -0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -2.379 -0.000 13.966) 14.167 1.382 ( -17.920 -0.000 19.164) 26.237 1.672 ( 1.313 0.000 3.680) 3.907 1.846 ( -0.722 -0.000 -16.073) 16.089 2.146 ( 9.608 0.000 15.365) 18.122 2.557 ( 7.153 0.000 11.606) 13.633 3.273 ( 0.808 0.000 13.547) 13.571 3.352 ( -8.305 -0.000 -2.009) 8.544 3.951 ( -0.785 -0.000 4.353) 4.423 3.962 ( 13.081 0.000 -0.851) 13.109 4.038 ( 12.062 0.000 6.796) 13.845 4.287 ( 1.469 0.000 3.724) 4.003 4.448 ( 6.656 0.000 -9.275) 11.416 4.675 ( 5.810 0.000 -6.142) 8.455 4.811 ( -9.747 -0.000 -1.076) 9.806 4.946 ( -11.320 -0.000 24.040) 26.572 5.057 ( -11.403 -0.000 -0.834) 11.433 5.245 ( -12.083 -0.000 -2.449) 12.329 5.402 ( 14.006 0.000 -13.714) 19.603 5.424 ( -4.590 -0.000 -9.630) 10.668 5.886 ( 1.734 0.000 11.731) 11.859 5.980 ( 2.392 0.000 -13.166) 13.381 6.118 ( 1.449 0.000 -4.226) 4.467 6.474 ( 1.100 0.000 -1.824) 2.131 6.564 ( -12.315 -0.000 -21.107) 24.437 6.609 ( -2.677 -0.000 3.679) 4.550 6.920 ( -8.118 -0.000 -5.621) 9.874 7.133 ( -7.511 -0.000 -7.936) 10.927 8.010 ( 4.490 0.000 8.252) 9.394 8.037 ( 1.007 0.000 7.182) 7.252 8.694 ( -1.276 -0.000 5.536) 5.681 8.729 ( 1.114 0.000 0.632) 1.281 8.947 ( -4.797 -0.000 5.450) 7.261 9.003 ( 6.736 0.000 -11.651) 13.458 9.353 ( 2.763 0.000 9.628) 10.017 9.726 ( 1.737 0.000 10.736) 10.876 9.757 ( -0.550 -0.000 -8.888) 8.905 10.005 ( 8.836 0.000 -10.397) 13.645 11.476 ( -3.068 -0.000 13.163) 13.515 11.670 ( 7.762 0.000 -9.128) 11.982 11.934 ( 7.553 0.000 -6.539) 9.991 12.007 ( -7.165 -0.000 8.500) 11.117 12.791 ( -7.639 -0.000 3.909) 8.581 12.878 ( 2.232 0.000 -10.440) 10.676 13.490 ( 4.720 0.000 -0.180) 4.724 13.603 ( -2.238 -0.000 1.601) 2.752 15.210 ( 3.059 0.000 1.664) 3.482 15.247 ( 0.047 0.000 1.013) 1.014 16.179 ( 2.949 0.000 0.731) 3.038 16.373 ( -0.619 -0.000 -3.249) 3.308 17.351 ( 1.020 0.000 -3.520) 3.665 17.418 ( -9.851 -0.000 2.148) 10.083 18.012 ( 10.566 0.000 -2.006) 10.755 18.015 ( 0.157 0.000 6.295) 6.297 18.348 ( -1.994 -0.000 2.889) 3.510 18.504 ( -3.682 -0.000 -2.412) 4.402 22.024 ( 2.760 0.000 0.854) 2.889 22.199 ( -3.004 -0.000 -1.325) 3.283 26.553 ( -0.162 -0.000 1.426) 1.435 26.654 ( -1.093 -0.000 -2.224) 2.478 28.207 ( 5.164 0.000 -1.514) 5.382 28.226 ( -0.591 -0.000 3.064) 3.121 29.051 ( -5.212 -0.000 4.710) 7.025 29.148 ( -0.524 -0.000 -5.700) 5.724 30.299 ( 6.910 0.000 -0.206) 6.913 30.375 ( -1.626 -0.000 5.076) 5.330 31.899 ( 23.746 0.000 -14.383) 27.762 32.500 ( -9.583 -0.000 -0.605) 9.602 33.970 ( -0.409 -0.000 0.456) 0.612 34.278 ( -8.291 -0.000 1.674) 8.458 34.504 ( -4.383 -0.000 5.339) 6.908 34.571 ( 0.177 0.000 -2.355) 2.362 =================== 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 3/40824 10.0 140.623 107.280 147.810 0.000 48.184 0.000 3/40824 20.0 35.014 24.932 34.010 0.000 10.952 0.000 3/40824 30.0 16.678 11.692 16.351 0.000 4.935 0.000 3/40824 40.0 10.122 7.055 10.267 0.000 2.857 0.000 3/40824 50.0 7.031 4.884 7.389 0.000 1.881 0.000 3/40824 60.0 5.323 3.687 5.773 0.000 1.348 0.000 3/40824 70.0 4.268 2.949 4.758 0.000 1.028 0.000 3/40824 80.0 3.561 2.455 4.065 0.000 0.820 0.000 3/40824 90.0 3.058 2.104 3.564 0.000 0.676 0.000 3/40824 100.0 2.684 1.843 3.185 0.000 0.572 0.000 3/40824 110.0 2.394 1.641 2.887 0.000 0.492 0.000 3/40824 120.0 2.164 1.480 2.646 0.000 0.431 0.000 3/40824 130.0 1.977 1.350 2.447 0.000 0.381 0.000 3/40824 140.0 1.821 1.241 2.279 0.000 0.340 0.000 3/40824 150.0 1.690 1.150 2.135 0.000 0.307 0.000 3/40824 160.0 1.578 1.072 2.011 0.000 0.279 0.000 3/40824 170.0 1.481 1.004 1.901 0.000 0.254 0.000 3/40824 180.0 1.397 0.945 1.805 0.000 0.234 0.000 3/40824 190.0 1.323 0.893 1.719 0.000 0.216 0.000 3/40824 200.0 1.257 0.847 1.642 0.000 0.200 0.000 3/40824 210.0 1.199 0.806 1.573 0.000 0.186 0.000 3/40824 220.0 1.147 0.770 1.510 0.000 0.174 0.000 3/40824 230.0 1.100 0.736 1.453 0.000 0.163 0.000 3/40824 240.0 1.057 0.706 1.401 0.000 0.153 0.000 3/40824 250.0 1.019 0.679 1.353 0.000 0.144 0.000 3/40824 260.0 0.984 0.654 1.310 0.000 0.136 0.000 3/40824 270.0 0.952 0.632 1.269 0.000 0.129 0.000 3/40824 280.0 0.922 0.611 1.232 0.000 0.122 0.000 3/40824 290.0 0.895 0.591 1.197 0.000 0.116 0.000 3/40824 300.0 0.870 0.573 1.165 0.000 0.110 0.000 3/40824 310.0 0.847 0.557 1.135 0.000 0.105 0.000 3/40824 320.0 0.826 0.541 1.107 0.000 0.100 0.000 3/40824 330.0 0.806 0.527 1.080 0.000 0.096 0.000 3/40824 340.0 0.787 0.513 1.055 0.000 0.092 0.000 3/40824 350.0 0.769 0.501 1.032 0.000 0.088 0.000 3/40824 360.0 0.753 0.489 1.009 0.000 0.084 0.000 3/40824 370.0 0.737 0.477 0.988 0.000 0.081 0.000 3/40824 380.0 0.722 0.467 0.968 0.000 0.078 0.000 3/40824 390.0 0.708 0.457 0.949 0.000 0.075 0.000 3/40824 400.0 0.695 0.447 0.931 0.000 0.072 0.000 3/40824 410.0 0.682 0.438 0.914 0.000 0.070 0.000 3/40824 420.0 0.670 0.429 0.897 0.000 0.067 0.000 3/40824 430.0 0.658 0.421 0.881 0.000 0.065 0.000 3/40824 440.0 0.647 0.413 0.865 0.000 0.063 0.000 3/40824 450.0 0.636 0.405 0.851 0.000 0.061 0.000 3/40824 460.0 0.626 0.398 0.836 0.000 0.059 0.000 3/40824 470.0 0.616 0.391 0.823 0.000 0.057 0.000 3/40824 480.0 0.606 0.384 0.809 0.000 0.056 0.000 3/40824 490.0 0.597 0.378 0.797 0.000 0.054 0.000 3/40824 500.0 0.588 0.372 0.784 0.000 0.053 0.000 3/40824 510.0 0.580 0.366 0.772 0.000 0.051 0.000 3/40824 520.0 0.571 0.360 0.761 0.000 0.050 0.000 3/40824 530.0 0.563 0.354 0.749 0.000 0.049 0.000 3/40824 540.0 0.555 0.349 0.739 0.000 0.047 0.000 3/40824 550.0 0.548 0.344 0.728 0.000 0.046 0.000 3/40824 560.0 0.540 0.338 0.718 0.000 0.045 0.000 3/40824 570.0 0.533 0.333 0.708 0.000 0.044 0.000 3/40824 580.0 0.526 0.329 0.698 0.000 0.043 0.000 3/40824 590.0 0.519 0.324 0.689 0.000 0.042 0.000 3/40824 600.0 0.512 0.320 0.679 0.000 0.041 0.000 3/40824 610.0 0.506 0.315 0.670 0.000 0.040 0.000 3/40824 620.0 0.500 0.311 0.662 0.000 0.039 0.000 3/40824 630.0 0.493 0.307 0.653 0.000 0.039 0.000 3/40824 640.0 0.487 0.303 0.645 0.000 0.038 0.000 3/40824 650.0 0.481 0.299 0.637 0.000 0.037 0.000 3/40824 660.0 0.476 0.295 0.629 0.000 0.036 0.000 3/40824 670.0 0.470 0.291 0.621 0.000 0.036 0.000 3/40824 680.0 0.465 0.288 0.613 0.000 0.035 0.000 3/40824 690.0 0.459 0.284 0.606 0.000 0.034 0.000 3/40824 700.0 0.454 0.281 0.599 0.000 0.034 0.000 3/40824 710.0 0.449 0.277 0.592 0.000 0.033 0.000 3/40824 720.0 0.444 0.274 0.585 0.000 0.033 0.000 3/40824 730.0 0.439 0.271 0.578 0.000 0.032 0.000 3/40824 740.0 0.434 0.268 0.572 0.000 0.032 0.000 3/40824 750.0 0.429 0.264 0.565 0.000 0.031 0.000 3/40824 760.0 0.425 0.261 0.559 0.000 0.031 0.000 3/40824 770.0 0.420 0.258 0.553 0.000 0.030 0.000 3/40824 780.0 0.416 0.256 0.547 0.000 0.030 0.000 3/40824 790.0 0.412 0.253 0.541 0.000 0.029 0.000 3/40824 800.0 0.407 0.250 0.535 0.000 0.029 0.000 3/40824 810.0 0.403 0.247 0.529 0.000 0.028 0.000 3/40824 820.0 0.399 0.245 0.524 0.000 0.028 0.000 3/40824 830.0 0.395 0.242 0.518 0.000 0.028 0.000 3/40824 840.0 0.391 0.240 0.513 0.000 0.027 0.000 3/40824 850.0 0.387 0.237 0.508 0.000 0.027 0.000 3/40824 860.0 0.383 0.235 0.503 0.000 0.026 0.000 3/40824 870.0 0.380 0.232 0.498 0.000 0.026 0.000 3/40824 880.0 0.376 0.230 0.493 0.000 0.026 0.000 3/40824 890.0 0.372 0.228 0.488 0.000 0.025 0.000 3/40824 900.0 0.369 0.225 0.483 0.000 0.025 0.000 3/40824 910.0 0.365 0.223 0.478 0.000 0.025 0.000 3/40824 920.0 0.362 0.221 0.474 0.000 0.024 0.000 3/40824 930.0 0.359 0.219 0.469 0.000 0.024 0.000 3/40824 940.0 0.355 0.217 0.465 0.000 0.024 0.000 3/40824 950.0 0.352 0.215 0.460 0.000 0.024 0.000 3/40824 960.0 0.349 0.213 0.456 0.000 0.023 0.000 3/40824 970.0 0.346 0.211 0.452 0.000 0.023 0.000 3/40824 980.0 0.343 0.209 0.448 0.000 0.023 0.000 3/40824 990.0 0.340 0.207 0.444 0.000 0.023 0.000 3/40824 1000.0 0.337 0.205 0.440 0.000 0.022 0.000 3/40824 Thermal conductivity related properties were written into "kappa-m997.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:18:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|