----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:29:49]------------------------- 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: [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2 (3) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.873358410000312 0.000000000000000 0.000000000000000 b 0.000000000000000 5.695764559999999 0.000000000000000 c -0.041284933855795 0.000000000000000 5.190421315175110 Atomic positions (fractional): *1 Hf 0.00000000000000 0.81734986545514 0.00000000000000 178.490 *2 Hf 0.50000000000000 0.31925654223773 0.00000000000000 178.490 *3 Hf 0.50000000000000 0.67738948516372 0.50000000000000 178.490 *4 Sn 0.00000000000000 0.17299787951580 0.50000000000000 118.710 *5 O 0.77411820168118 0.10639873346952 0.82689312985002 15.999 *6 O 0.77201078076991 0.89625848878183 0.32302514785948 15.999 *7 O 0.72099445676370 0.60598946614257 0.82874029769980 15.999 *8 O 0.72965826426756 0.39785644541987 0.32757794893906 15.999 9 O 0.27034173573244 0.39785644541987 0.67242205106094 15.999 10 O 0.27900554323630 0.60598946614257 0.17125970230020 15.999 11 O 0.22588179831882 0.10639873346952 0.17310687014998 15.999 12 O 0.22798921923009 0.89625848878183 0.67697485214052 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.873358410000312 0.000000000000000 0.000000000000000 b 0.000000000000000 5.695764559999999 0.000000000000000 c -0.041284933855795 0.000000000000000 5.190421315175110 Atomic positions (fractional): *1 Hf 0.00000000000000 0.81734986545514 0.00000000000000 178.490 > 1 *2 Hf 0.50000000000000 0.31925654223773 0.00000000000000 178.490 > 2 *3 Hf 0.50000000000000 0.67738948516372 0.50000000000000 178.490 > 3 *4 Sn 0.00000000000000 0.17299787951580 0.50000000000000 118.710 > 4 *5 O 0.77411820168118 0.10639873346952 0.82689312985002 15.999 > 5 *6 O 0.77201078076991 0.89625848878183 0.32302514785948 15.999 > 6 *7 O 0.72099445676370 0.60598946614257 0.82874029769980 15.999 > 7 *8 O 0.72965826426756 0.39785644541987 0.32757794893906 15.999 > 8 9 O 0.27034173573244 0.39785644541987 0.67242205106094 15.999 > 9 10 O 0.27900554323630 0.60598946614257 0.17125970230020 15.999 > 10 11 O 0.22588179831882 0.10639873346952 0.17310687014998 15.999 > 11 12 O 0.22798921923009 0.89625848878183 0.67697485214052 15.999 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.620075230000936 0.000000000000000 0.000000000000000 b 0.000000000000000 11.391529119999998 0.000000000000000 c -0.082569867711590 0.000000000000000 10.380842630350219 Atomic positions (fractional): *1 Hf 0.00000000000000 0.40867493272757 0.00000000000000 178.490 > 1 2 Hf 0.33333333333333 0.40867493272757 0.00000000000000 178.490 > 1 3 Hf 0.66666666666667 0.40867493272757 0.00000000000000 178.490 > 1 4 Hf 0.00000000000000 0.90867493272757 0.00000000000000 178.490 > 1 5 Hf 0.33333333333333 0.90867493272757 0.00000000000000 178.490 > 1 6 Hf 0.66666666666667 0.90867493272757 0.00000000000000 178.490 > 1 7 Hf 0.00000000000000 0.40867493272757 0.50000000000000 178.490 > 1 8 Hf 0.33333333333333 0.40867493272757 0.50000000000000 178.490 > 1 9 Hf 0.66666666666667 0.40867493272757 0.50000000000000 178.490 > 1 10 Hf 0.00000000000000 0.90867493272757 0.50000000000000 178.490 > 1 11 Hf 0.33333333333333 0.90867493272757 0.50000000000000 178.490 > 1 12 Hf 0.66666666666667 0.90867493272757 0.50000000000000 178.490 > 1 *13 Hf 0.16666666666667 0.15962827111886 0.00000000000000 178.490 > 2 14 Hf 0.50000000000000 0.15962827111886 0.00000000000000 178.490 > 2 15 Hf 0.83333333333333 0.15962827111886 0.00000000000000 178.490 > 2 16 Hf 0.16666666666667 0.65962827111886 0.00000000000000 178.490 > 2 17 Hf 0.50000000000000 0.65962827111886 0.00000000000000 178.490 > 2 18 Hf 0.83333333333333 0.65962827111886 0.00000000000000 178.490 > 2 19 Hf 0.16666666666667 0.15962827111886 0.50000000000000 178.490 > 2 20 Hf 0.50000000000000 0.15962827111886 0.50000000000000 178.490 > 2 21 Hf 0.83333333333333 0.15962827111886 0.50000000000000 178.490 > 2 22 Hf 0.16666666666667 0.65962827111886 0.50000000000000 178.490 > 2 23 Hf 0.50000000000000 0.65962827111886 0.50000000000000 178.490 > 2 24 Hf 0.83333333333333 0.65962827111886 0.50000000000000 178.490 > 2 *25 Hf 0.16666666666667 0.33869474258186 0.25000000000000 178.490 > 3 26 Hf 0.50000000000000 0.33869474258186 0.25000000000000 178.490 > 3 27 Hf 0.83333333333333 0.33869474258186 0.25000000000000 178.490 > 3 28 Hf 0.16666666666667 0.83869474258186 0.25000000000000 178.490 > 3 29 Hf 0.50000000000000 0.83869474258186 0.25000000000000 178.490 > 3 30 Hf 0.83333333333333 0.83869474258186 0.25000000000000 178.490 > 3 31 Hf 0.16666666666667 0.33869474258186 0.75000000000000 178.490 > 3 32 Hf 0.50000000000000 0.33869474258186 0.75000000000000 178.490 > 3 33 Hf 0.83333333333333 0.33869474258186 0.75000000000000 178.490 > 3 34 Hf 0.16666666666667 0.83869474258186 0.75000000000000 178.490 > 3 35 Hf 0.50000000000000 0.83869474258186 0.75000000000000 178.490 > 3 36 Hf 0.83333333333333 0.83869474258186 0.75000000000000 178.490 > 3 *37 Sn 0.00000000000000 0.08649893975790 0.25000000000000 118.710 > 4 38 Sn 0.33333333333333 0.08649893975790 0.25000000000000 118.710 > 4 39 Sn 0.66666666666667 0.08649893975790 0.25000000000000 118.710 > 4 40 Sn 0.00000000000000 0.58649893975790 0.25000000000000 118.710 > 4 41 Sn 0.33333333333333 0.58649893975790 0.25000000000000 118.710 > 4 42 Sn 0.66666666666667 0.58649893975790 0.25000000000000 118.710 > 4 43 Sn 0.00000000000000 0.08649893975790 0.75000000000000 118.710 > 4 44 Sn 0.33333333333333 0.08649893975790 0.75000000000000 118.710 > 4 45 Sn 0.66666666666667 0.08649893975790 0.75000000000000 118.710 > 4 46 Sn 0.00000000000000 0.58649893975790 0.75000000000000 118.710 > 4 47 Sn 0.33333333333333 0.58649893975790 0.75000000000000 118.710 > 4 48 Sn 0.66666666666667 0.58649893975790 0.75000000000000 118.710 > 4 *49 O 0.25803940056039 0.05319936673476 0.41344656492501 15.999 > 5 50 O 0.59137273389373 0.05319936673476 0.41344656492501 15.999 > 5 51 O 0.92470606722706 0.05319936673476 0.41344656492501 15.999 > 5 52 O 0.25803940056039 0.55319936673476 0.41344656492501 15.999 > 5 53 O 0.59137273389373 0.55319936673476 0.41344656492501 15.999 > 5 54 O 0.92470606722706 0.55319936673476 0.41344656492501 15.999 > 5 55 O 0.25803940056039 0.05319936673476 0.91344656492501 15.999 > 5 56 O 0.59137273389373 0.05319936673476 0.91344656492501 15.999 > 5 57 O 0.92470606722706 0.05319936673476 0.91344656492501 15.999 > 5 58 O 0.25803940056039 0.55319936673476 0.91344656492501 15.999 > 5 59 O 0.59137273389373 0.55319936673476 0.91344656492501 15.999 > 5 60 O 0.92470606722706 0.55319936673476 0.91344656492501 15.999 > 5 *61 O 0.25733692692330 0.44812924439092 0.16151257392974 15.999 > 6 62 O 0.59067026025664 0.44812924439092 0.16151257392974 15.999 > 6 63 O 0.92400359358997 0.44812924439092 0.16151257392974 15.999 > 6 64 O 0.25733692692330 0.94812924439092 0.16151257392974 15.999 > 6 65 O 0.59067026025664 0.94812924439092 0.16151257392974 15.999 > 6 66 O 0.92400359358997 0.94812924439092 0.16151257392974 15.999 > 6 67 O 0.25733692692330 0.44812924439092 0.66151257392974 15.999 > 6 68 O 0.59067026025664 0.44812924439092 0.66151257392974 15.999 > 6 69 O 0.92400359358997 0.44812924439092 0.66151257392974 15.999 > 6 70 O 0.25733692692330 0.94812924439092 0.66151257392974 15.999 > 6 71 O 0.59067026025664 0.94812924439092 0.66151257392974 15.999 > 6 72 O 0.92400359358997 0.94812924439092 0.66151257392974 15.999 > 6 *73 O 0.24033148558790 0.30299473307129 0.41437014884990 15.999 > 7 74 O 0.57366481892123 0.30299473307129 0.41437014884990 15.999 > 7 75 O 0.90699815225457 0.30299473307129 0.41437014884990 15.999 > 7 76 O 0.24033148558790 0.80299473307129 0.41437014884990 15.999 > 7 77 O 0.57366481892123 0.80299473307129 0.41437014884990 15.999 > 7 78 O 0.90699815225457 0.80299473307129 0.41437014884990 15.999 > 7 79 O 0.24033148558790 0.30299473307129 0.91437014884990 15.999 > 7 80 O 0.57366481892123 0.30299473307129 0.91437014884990 15.999 > 7 81 O 0.90699815225457 0.30299473307129 0.91437014884990 15.999 > 7 82 O 0.24033148558790 0.80299473307129 0.91437014884990 15.999 > 7 83 O 0.57366481892123 0.80299473307129 0.91437014884990 15.999 > 7 84 O 0.90699815225457 0.80299473307129 0.91437014884990 15.999 > 7 *85 O 0.24321942142252 0.19892822270993 0.16378897446953 15.999 > 8 86 O 0.57655275475585 0.19892822270993 0.16378897446953 15.999 > 8 87 O 0.90988608808919 0.19892822270993 0.16378897446953 15.999 > 8 88 O 0.24321942142252 0.69892822270993 0.16378897446953 15.999 > 8 89 O 0.57655275475585 0.69892822270993 0.16378897446953 15.999 > 8 90 O 0.90988608808919 0.69892822270993 0.16378897446953 15.999 > 8 91 O 0.24321942142252 0.19892822270993 0.66378897446953 15.999 > 8 92 O 0.57655275475585 0.19892822270993 0.66378897446953 15.999 > 8 93 O 0.90988608808919 0.19892822270993 0.66378897446953 15.999 > 8 94 O 0.24321942142252 0.69892822270993 0.66378897446953 15.999 > 8 95 O 0.57655275475585 0.69892822270993 0.66378897446953 15.999 > 8 96 O 0.90988608808919 0.69892822270993 0.66378897446953 15.999 > 8 97 O 0.09011391191081 0.19892822270993 0.33621102553047 15.999 > 9 98 O 0.42344724524415 0.19892822270993 0.33621102553047 15.999 > 9 99 O 0.75678057857748 0.19892822270993 0.33621102553047 15.999 > 9 100 O 0.09011391191081 0.69892822270993 0.33621102553047 15.999 > 9 101 O 0.42344724524415 0.69892822270993 0.33621102553047 15.999 > 9 102 O 0.75678057857748 0.69892822270993 0.33621102553047 15.999 > 9 103 O 0.09011391191081 0.19892822270993 0.83621102553047 15.999 > 9 104 O 0.42344724524415 0.19892822270993 0.83621102553047 15.999 > 9 105 O 0.75678057857748 0.19892822270993 0.83621102553047 15.999 > 9 106 O 0.09011391191081 0.69892822270993 0.83621102553047 15.999 > 9 107 O 0.42344724524415 0.69892822270993 0.83621102553047 15.999 > 9 108 O 0.75678057857748 0.69892822270993 0.83621102553047 15.999 > 9 109 O 0.09300184774543 0.30299473307129 0.08562985115010 15.999 > 10 110 O 0.42633518107877 0.30299473307129 0.08562985115010 15.999 > 10 111 O 0.75966851441210 0.30299473307129 0.08562985115010 15.999 > 10 112 O 0.09300184774543 0.80299473307129 0.08562985115010 15.999 > 10 113 O 0.42633518107877 0.80299473307129 0.08562985115010 15.999 > 10 114 O 0.75966851441210 0.80299473307129 0.08562985115010 15.999 > 10 115 O 0.09300184774543 0.30299473307129 0.58562985115010 15.999 > 10 116 O 0.42633518107877 0.30299473307129 0.58562985115010 15.999 > 10 117 O 0.75966851441210 0.30299473307129 0.58562985115010 15.999 > 10 118 O 0.09300184774543 0.80299473307129 0.58562985115010 15.999 > 10 119 O 0.42633518107877 0.80299473307129 0.58562985115010 15.999 > 10 120 O 0.75966851441210 0.80299473307129 0.58562985115010 15.999 > 10 121 O 0.07529393277294 0.05319936673476 0.08655343507499 15.999 > 11 122 O 0.40862726610627 0.05319936673476 0.08655343507499 15.999 > 11 123 O 0.74196059943961 0.05319936673476 0.08655343507499 15.999 > 11 124 O 0.07529393277294 0.55319936673476 0.08655343507499 15.999 > 11 125 O 0.40862726610627 0.55319936673476 0.08655343507499 15.999 > 11 126 O 0.74196059943961 0.55319936673476 0.08655343507499 15.999 > 11 127 O 0.07529393277294 0.05319936673476 0.58655343507499 15.999 > 11 128 O 0.40862726610627 0.05319936673476 0.58655343507499 15.999 > 11 129 O 0.74196059943961 0.05319936673476 0.58655343507499 15.999 > 11 130 O 0.07529393277294 0.55319936673476 0.58655343507499 15.999 > 11 131 O 0.40862726610627 0.55319936673476 0.58655343507499 15.999 > 11 132 O 0.74196059943961 0.55319936673476 0.58655343507499 15.999 > 11 133 O 0.07599640641003 0.44812924439092 0.33848742607026 15.999 > 12 134 O 0.40932973974336 0.44812924439092 0.33848742607026 15.999 > 12 135 O 0.74266307307670 0.44812924439092 0.33848742607026 15.999 > 12 136 O 0.07599640641003 0.94812924439092 0.33848742607026 15.999 > 12 137 O 0.40932973974336 0.94812924439092 0.33848742607026 15.999 > 12 138 O 0.74266307307670 0.94812924439092 0.33848742607026 15.999 > 12 139 O 0.07599640641003 0.44812924439092 0.83848742607026 15.999 > 12 140 O 0.40932973974336 0.44812924439092 0.83848742607026 15.999 > 12 141 O 0.74266307307670 0.44812924439092 0.83848742607026 15.999 > 12 142 O 0.07599640641003 0.94812924439092 0.83848742607026 15.999 > 12 143 O 0.40932973974336 0.94812924439092 0.83848742607026 15.999 > 12 144 O 0.74266307307670 0.94812924439092 0.83848742607026 15.999 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6689263 0.0000000 0.0031871 0.0000000 4.5116054 0.0000000 0.0031831 0.0000000 4.8195622 -------------------------- Born effective charges -------------------------- 1 Hf 5.6498026 0.0000000 0.2824998 0.0000000 5.0457127 0.0000000 0.1222533 0.0000000 5.4015715 2 Hf 5.2517199 0.0000000 -0.3228144 0.0000000 5.1112063 0.0000000 -0.1826923 0.0000000 5.4874730 3 Hf 5.2129507 0.0000000 -0.2678515 0.0000000 5.0692991 0.0000000 -0.2291761 0.0000000 5.8552797 4 Sn 4.4170036 0.0000000 0.1720462 0.0000000 4.3842778 0.0000000 0.1451095 0.0000000 4.5157404 5 O -2.6008468 1.0615195 0.5633460 1.0546773 -2.5641186 -0.1415820 0.5597082 0.0039829 -2.3476548 6 O -2.5591006 -0.6790046 0.9575722 -0.8150713 -2.3744105 0.1062951 0.9144295 -0.0013053 -2.7291376 7 O -2.7667984 -1.0574190 -0.9020386 -1.0410998 -2.5070276 0.0187877 -0.8797507 0.2027866 -2.8789461 8 O -2.3389927 0.5844679 -0.5508195 0.6769728 -2.3596913 -0.2146102 -0.5221342 -0.4300039 -2.6742938 9 O -2.3389927 -0.5844679 -0.5508195 -0.6769728 -2.3596913 0.2146102 -0.5221342 0.4300039 -2.6742938 10 O -2.7667984 1.0574190 -0.9020386 1.0410998 -2.5070276 -0.0187877 -0.8797507 -0.2027866 -2.8789461 11 O -2.6008468 -1.0615195 0.5633460 -1.0546773 -2.5641186 0.1415820 0.5597082 -0.0039829 -2.3476548 12 O -2.5591006 0.6790046 0.9575722 0.8150713 -2.3744105 -0.1062951 0.9144295 0.0013053 -2.7291376 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4040 Number of blocks in projector: 4040 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 166 --- Eigsh_solver_block: 1 / 166 --- Block_size: 880 Use submatrix version of eigh solver. (1) Block: 500 / 880 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 880 / 880 (1) 373 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 166 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 768 / 768 (1) 260 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 166 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 768 / 768 (1) 260 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 166 --- Block_size: 488 Use standard eigh solver. --- Eigsh_solver_block: 5 / 166 --- Block_size: 488 Use standard eigh solver. --- Eigsh_solver_block: 6 / 166 --- Block_size: 488 Use standard eigh solver. --- Eigsh_solver_block: 7 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 10 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 11 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 12 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 13 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 14 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 15 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 16 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 17 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 18 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 19 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 20 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 21 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 22 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 23 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 24 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 25 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 26 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 27 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 28 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 29 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 30 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 31 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 32 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 33 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 34 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 35 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 36 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 37 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 38 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 39 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 40 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 41 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 42 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 43 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 44 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 45 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 46 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 47 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 48 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 49 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 50 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 51 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 52 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 53 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 54 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 55 / 166 --- Block_size: 1 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Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 108 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 109 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 110 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 111 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 112 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 113 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 114 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 115 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 116 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 117 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 118 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 119 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 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Eigsh_solver_block: 133 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 134 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 135 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 136 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 137 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 138 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 139 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 140 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 141 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 142 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 143 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 144 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 145 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 146 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 147 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 148 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 149 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 150 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 151 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 152 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 153 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 154 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 155 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 156 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 157 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 158 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 159 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 160 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 161 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 162 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 163 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 164 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 165 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 166 / 166 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (4040, 3985), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (488, 480), data: True |-- (488, 480), data: True |-- (488, 480), data: True |-- (768, 760), data: False |-- (768, 8), data: (768, 16) @ (16, 8) |-- (268, 260), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (768, 760), data: False |-- (768, 8), data: (768, 16) @ (16, 8) |-- (268, 260), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (880, 865), data: False |-- (880, 7), data: (880, 22) @ (22, 7) |-- (380, 373), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 720 - Time: 1.317 Solver_block: 200 / 720 - Time: 1.181 Solver_block: 300 / 720 - Time: 1.185 Solver_block: 400 / 720 - Time: 1.186 Solver_block: 500 / 720 - Time: 1.187 Solver_block: 600 / 720 - Time: 1.188 Solver_block: 700 / 720 - Time: 1.188 Solver_block: 720 / 720 - Time: 0.366 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.083 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4040 Number of blocks in projector: 4040 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 166 --- Eigsh_solver_block: 1 / 166 --- Block_size: 880 Use submatrix version of eigh solver. (1) Block: 500 / 880 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 880 / 880 (1) 373 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 166 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 768 / 768 (1) 260 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 166 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 768 / 768 (1) 260 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 166 --- Block_size: 488 Use standard eigh solver. --- Eigsh_solver_block: 5 / 166 --- Block_size: 488 Use standard eigh solver. --- Eigsh_solver_block: 6 / 166 --- Block_size: 488 Use standard eigh solver. --- Eigsh_solver_block: 7 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 10 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 11 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 12 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 13 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 14 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 15 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 16 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 17 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 18 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 19 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 20 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 21 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 22 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 23 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 24 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 25 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 26 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 27 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 28 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 29 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 30 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 31 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 32 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 33 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 34 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 35 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 36 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 37 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 38 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 39 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 40 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 41 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 42 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 43 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 44 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 45 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 46 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 47 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 48 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 49 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 50 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 51 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 52 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 53 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 54 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 55 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 56 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 57 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 58 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 59 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 60 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 61 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 62 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 63 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 64 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 65 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 66 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 67 / 166 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 68 / 166 --- Block_size: 1 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Tree of FC basis block matrices: - (4040, 3985), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (488, 480), data: True |-- (488, 480), data: True |-- (488, 480), data: True |-- (768, 760), data: False |-- (768, 8), data: (768, 16) @ (16, 8) |-- (268, 260), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (768, 760), data: False |-- (768, 8), data: (768, 16) @ (16, 8) |-- (268, 260), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (880, 865), data: False |-- (880, 7), data: (880, 22) @ (22, 7) |-- (380, 373), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), 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 2026-01-09 00:30:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:30:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2 (3) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.873358410000312 0.000000000000000 0.000000000000000 b 0.000000000000000 5.695764559999999 0.000000000000000 c -0.041284933855795 0.000000000000000 5.190421315175110 Atomic positions (fractional): 1 Hf 0.00000000000000 0.81734986545514 0.00000000000000 178.490 2 Hf 0.50000000000000 0.31925654223773 0.00000000000000 178.490 3 Hf 0.50000000000000 0.67738948516372 0.50000000000000 178.490 4 Sn 0.00000000000000 0.17299787951580 0.50000000000000 118.710 5 O 0.77411820168118 0.10639873346952 0.82689312985002 15.999 6 O 0.77201078076991 0.89625848878183 0.32302514785948 15.999 7 O 0.72099445676370 0.60598946614257 0.82874029769980 15.999 8 O 0.72965826426756 0.39785644541987 0.32757794893906 15.999 9 O 0.27034173573244 0.39785644541987 0.67242205106094 15.999 10 O 0.27900554323630 0.60598946614257 0.17125970230020 15.999 11 O 0.22588179831882 0.10639873346952 0.17310687014998 15.999 12 O 0.22798921923009 0.89625848878183 0.67697485214052 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.620075230000936 0.000000000000000 0.000000000000000 b 0.000000000000000 11.391529119999998 0.000000000000000 c -0.082569867711590 0.000000000000000 10.380842630350219 Atomic positions (fractional): 1 Hf 0.00000000000000 0.40867493272757 0.00000000000000 178.490 > 1 2 Hf 0.33333333333333 0.40867493272757 0.00000000000000 178.490 > 1 3 Hf 0.66666666666667 0.40867493272757 0.00000000000000 178.490 > 1 4 Hf 0.00000000000000 0.90867493272757 0.00000000000000 178.490 > 1 5 Hf 0.33333333333333 0.90867493272757 0.00000000000000 178.490 > 1 6 Hf 0.66666666666667 0.90867493272757 0.00000000000000 178.490 > 1 7 Hf 0.00000000000000 0.40867493272757 0.50000000000000 178.490 > 1 8 Hf 0.33333333333333 0.40867493272757 0.50000000000000 178.490 > 1 9 Hf 0.66666666666667 0.40867493272757 0.50000000000000 178.490 > 1 10 Hf 0.00000000000000 0.90867493272757 0.50000000000000 178.490 > 1 11 Hf 0.33333333333333 0.90867493272757 0.50000000000000 178.490 > 1 12 Hf 0.66666666666667 0.90867493272757 0.50000000000000 178.490 > 1 13 Hf 0.16666666666667 0.15962827111886 0.00000000000000 178.490 > 13 14 Hf 0.50000000000000 0.15962827111886 0.00000000000000 178.490 > 13 15 Hf 0.83333333333333 0.15962827111886 0.00000000000000 178.490 > 13 16 Hf 0.16666666666667 0.65962827111886 0.00000000000000 178.490 > 13 17 Hf 0.50000000000000 0.65962827111886 0.00000000000000 178.490 > 13 18 Hf 0.83333333333333 0.65962827111886 0.00000000000000 178.490 > 13 19 Hf 0.16666666666667 0.15962827111886 0.50000000000000 178.490 > 13 20 Hf 0.50000000000000 0.15962827111886 0.50000000000000 178.490 > 13 21 Hf 0.83333333333333 0.15962827111886 0.50000000000000 178.490 > 13 22 Hf 0.16666666666667 0.65962827111886 0.50000000000000 178.490 > 13 23 Hf 0.50000000000000 0.65962827111886 0.50000000000000 178.490 > 13 24 Hf 0.83333333333333 0.65962827111886 0.50000000000000 178.490 > 13 25 Hf 0.16666666666667 0.33869474258186 0.25000000000000 178.490 > 25 26 Hf 0.50000000000000 0.33869474258186 0.25000000000000 178.490 > 25 27 Hf 0.83333333333333 0.33869474258186 0.25000000000000 178.490 > 25 28 Hf 0.16666666666667 0.83869474258186 0.25000000000000 178.490 > 25 29 Hf 0.50000000000000 0.83869474258186 0.25000000000000 178.490 > 25 30 Hf 0.83333333333333 0.83869474258186 0.25000000000000 178.490 > 25 31 Hf 0.16666666666667 0.33869474258186 0.75000000000000 178.490 > 25 32 Hf 0.50000000000000 0.33869474258186 0.75000000000000 178.490 > 25 33 Hf 0.83333333333333 0.33869474258186 0.75000000000000 178.490 > 25 34 Hf 0.16666666666667 0.83869474258186 0.75000000000000 178.490 > 25 35 Hf 0.50000000000000 0.83869474258186 0.75000000000000 178.490 > 25 36 Hf 0.83333333333333 0.83869474258186 0.75000000000000 178.490 > 25 37 Sn 0.00000000000000 0.08649893975790 0.25000000000000 118.710 > 37 38 Sn 0.33333333333333 0.08649893975790 0.25000000000000 118.710 > 37 39 Sn 0.66666666666667 0.08649893975790 0.25000000000000 118.710 > 37 40 Sn 0.00000000000000 0.58649893975790 0.25000000000000 118.710 > 37 41 Sn 0.33333333333333 0.58649893975790 0.25000000000000 118.710 > 37 42 Sn 0.66666666666667 0.58649893975790 0.25000000000000 118.710 > 37 43 Sn 0.00000000000000 0.08649893975790 0.75000000000000 118.710 > 37 44 Sn 0.33333333333333 0.08649893975790 0.75000000000000 118.710 > 37 45 Sn 0.66666666666667 0.08649893975790 0.75000000000000 118.710 > 37 46 Sn 0.00000000000000 0.58649893975790 0.75000000000000 118.710 > 37 47 Sn 0.33333333333333 0.58649893975790 0.75000000000000 118.710 > 37 48 Sn 0.66666666666667 0.58649893975790 0.75000000000000 118.710 > 37 49 O 0.25803940056039 0.05319936673476 0.41344656492501 15.999 > 49 50 O 0.59137273389373 0.05319936673476 0.41344656492501 15.999 > 49 51 O 0.92470606722706 0.05319936673476 0.41344656492501 15.999 > 49 52 O 0.25803940056039 0.55319936673476 0.41344656492501 15.999 > 49 53 O 0.59137273389373 0.55319936673476 0.41344656492501 15.999 > 49 54 O 0.92470606722706 0.55319936673476 0.41344656492501 15.999 > 49 55 O 0.25803940056039 0.05319936673476 0.91344656492501 15.999 > 49 56 O 0.59137273389373 0.05319936673476 0.91344656492501 15.999 > 49 57 O 0.92470606722706 0.05319936673476 0.91344656492501 15.999 > 49 58 O 0.25803940056039 0.55319936673476 0.91344656492501 15.999 > 49 59 O 0.59137273389373 0.55319936673476 0.91344656492501 15.999 > 49 60 O 0.92470606722706 0.55319936673476 0.91344656492501 15.999 > 49 61 O 0.25733692692330 0.44812924439092 0.16151257392974 15.999 > 61 62 O 0.59067026025664 0.44812924439092 0.16151257392974 15.999 > 61 63 O 0.92400359358997 0.44812924439092 0.16151257392974 15.999 > 61 64 O 0.25733692692330 0.94812924439092 0.16151257392974 15.999 > 61 65 O 0.59067026025664 0.94812924439092 0.16151257392974 15.999 > 61 66 O 0.92400359358997 0.94812924439092 0.16151257392974 15.999 > 61 67 O 0.25733692692330 0.44812924439092 0.66151257392974 15.999 > 61 68 O 0.59067026025664 0.44812924439092 0.66151257392974 15.999 > 61 69 O 0.92400359358997 0.44812924439092 0.66151257392974 15.999 > 61 70 O 0.25733692692330 0.94812924439092 0.66151257392974 15.999 > 61 71 O 0.59067026025664 0.94812924439092 0.66151257392974 15.999 > 61 72 O 0.92400359358997 0.94812924439092 0.66151257392974 15.999 > 61 73 O 0.24033148558790 0.30299473307129 0.41437014884990 15.999 > 73 74 O 0.57366481892123 0.30299473307129 0.41437014884990 15.999 > 73 75 O 0.90699815225457 0.30299473307129 0.41437014884990 15.999 > 73 76 O 0.24033148558790 0.80299473307129 0.41437014884990 15.999 > 73 77 O 0.57366481892123 0.80299473307129 0.41437014884990 15.999 > 73 78 O 0.90699815225457 0.80299473307129 0.41437014884990 15.999 > 73 79 O 0.24033148558790 0.30299473307129 0.91437014884990 15.999 > 73 80 O 0.57366481892123 0.30299473307129 0.91437014884990 15.999 > 73 81 O 0.90699815225457 0.30299473307129 0.91437014884990 15.999 > 73 82 O 0.24033148558790 0.80299473307129 0.91437014884990 15.999 > 73 83 O 0.57366481892123 0.80299473307129 0.91437014884990 15.999 > 73 84 O 0.90699815225457 0.80299473307129 0.91437014884990 15.999 > 73 85 O 0.24321942142252 0.19892822270993 0.16378897446953 15.999 > 85 86 O 0.57655275475585 0.19892822270993 0.16378897446953 15.999 > 85 87 O 0.90988608808919 0.19892822270993 0.16378897446953 15.999 > 85 88 O 0.24321942142252 0.69892822270993 0.16378897446953 15.999 > 85 89 O 0.57655275475585 0.69892822270993 0.16378897446953 15.999 > 85 90 O 0.90988608808919 0.69892822270993 0.16378897446953 15.999 > 85 91 O 0.24321942142252 0.19892822270993 0.66378897446953 15.999 > 85 92 O 0.57655275475585 0.19892822270993 0.66378897446953 15.999 > 85 93 O 0.90988608808919 0.19892822270993 0.66378897446953 15.999 > 85 94 O 0.24321942142252 0.69892822270993 0.66378897446953 15.999 > 85 95 O 0.57655275475585 0.69892822270993 0.66378897446953 15.999 > 85 96 O 0.90988608808919 0.69892822270993 0.66378897446953 15.999 > 85 97 O 0.09011391191081 0.19892822270993 0.33621102553047 15.999 > 97 98 O 0.42344724524415 0.19892822270993 0.33621102553047 15.999 > 97 99 O 0.75678057857748 0.19892822270993 0.33621102553047 15.999 > 97 100 O 0.09011391191081 0.69892822270993 0.33621102553047 15.999 > 97 101 O 0.42344724524415 0.69892822270993 0.33621102553047 15.999 > 97 102 O 0.75678057857748 0.69892822270993 0.33621102553047 15.999 > 97 103 O 0.09011391191081 0.19892822270993 0.83621102553047 15.999 > 97 104 O 0.42344724524415 0.19892822270993 0.83621102553047 15.999 > 97 105 O 0.75678057857748 0.19892822270993 0.83621102553047 15.999 > 97 106 O 0.09011391191081 0.69892822270993 0.83621102553047 15.999 > 97 107 O 0.42344724524415 0.69892822270993 0.83621102553047 15.999 > 97 108 O 0.75678057857748 0.69892822270993 0.83621102553047 15.999 > 97 109 O 0.09300184774543 0.30299473307129 0.08562985115010 15.999 > 109 110 O 0.42633518107877 0.30299473307129 0.08562985115010 15.999 > 109 111 O 0.75966851441210 0.30299473307129 0.08562985115010 15.999 > 109 112 O 0.09300184774543 0.80299473307129 0.08562985115010 15.999 > 109 113 O 0.42633518107877 0.80299473307129 0.08562985115010 15.999 > 109 114 O 0.75966851441210 0.80299473307129 0.08562985115010 15.999 > 109 115 O 0.09300184774543 0.30299473307129 0.58562985115010 15.999 > 109 116 O 0.42633518107877 0.30299473307129 0.58562985115010 15.999 > 109 117 O 0.75966851441210 0.30299473307129 0.58562985115010 15.999 > 109 118 O 0.09300184774543 0.80299473307129 0.58562985115010 15.999 > 109 119 O 0.42633518107877 0.80299473307129 0.58562985115010 15.999 > 109 120 O 0.75966851441210 0.80299473307129 0.58562985115010 15.999 > 109 121 O 0.07529393277294 0.05319936673476 0.08655343507499 15.999 > 121 122 O 0.40862726610627 0.05319936673476 0.08655343507499 15.999 > 121 123 O 0.74196059943961 0.05319936673476 0.08655343507499 15.999 > 121 124 O 0.07529393277294 0.55319936673476 0.08655343507499 15.999 > 121 125 O 0.40862726610627 0.55319936673476 0.08655343507499 15.999 > 121 126 O 0.74196059943961 0.55319936673476 0.08655343507499 15.999 > 121 127 O 0.07529393277294 0.05319936673476 0.58655343507499 15.999 > 121 128 O 0.40862726610627 0.05319936673476 0.58655343507499 15.999 > 121 129 O 0.74196059943961 0.05319936673476 0.58655343507499 15.999 > 121 130 O 0.07529393277294 0.55319936673476 0.58655343507499 15.999 > 121 131 O 0.40862726610627 0.55319936673476 0.58655343507499 15.999 > 121 132 O 0.74196059943961 0.55319936673476 0.58655343507499 15.999 > 121 133 O 0.07599640641003 0.44812924439092 0.33848742607026 15.999 > 133 134 O 0.40932973974336 0.44812924439092 0.33848742607026 15.999 > 133 135 O 0.74266307307670 0.44812924439092 0.33848742607026 15.999 > 133 136 O 0.07599640641003 0.94812924439092 0.33848742607026 15.999 > 133 137 O 0.40932973974336 0.94812924439092 0.33848742607026 15.999 > 133 138 O 0.74266307307670 0.94812924439092 0.33848742607026 15.999 > 133 139 O 0.07599640641003 0.44812924439092 0.83848742607026 15.999 > 133 140 O 0.40932973974336 0.44812924439092 0.83848742607026 15.999 > 133 141 O 0.74266307307670 0.44812924439092 0.83848742607026 15.999 > 133 142 O 0.07599640641003 0.94812924439092 0.83848742607026 15.999 > 133 143 O 0.40932973974336 0.94812924439092 0.83848742607026 15.999 > 133 144 O 0.74266307307670 0.94812924439092 0.83848742607026 15.999 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6689263 0.0000000 0.0031871 0.0000000 4.5116054 0.0000000 0.0031831 0.0000000 4.8195622 -------------------------- Born effective charges -------------------------- 1 Hf 5.6498026 0.0000000 0.2824998 0.0000000 5.0457127 0.0000000 0.1222533 0.0000000 5.4015715 2 Hf 5.2517199 0.0000000 -0.3228144 0.0000000 5.1112063 0.0000000 -0.1826923 0.0000000 5.4874730 3 Hf 5.2129507 0.0000000 -0.2678515 0.0000000 5.0692991 0.0000000 -0.2291761 0.0000000 5.8552797 4 Sn 4.4170036 0.0000000 0.1720462 0.0000000 4.3842778 0.0000000 0.1451095 0.0000000 4.5157404 5 O -2.6008468 1.0615195 0.5633460 1.0546773 -2.5641186 -0.1415820 0.5597082 0.0039829 -2.3476548 6 O -2.5591006 -0.6790046 0.9575722 -0.8150713 -2.3744105 0.1062951 0.9144295 -0.0013053 -2.7291376 7 O -2.7667984 -1.0574190 -0.9020386 -1.0410998 -2.5070276 0.0187877 -0.8797507 0.2027866 -2.8789461 8 O -2.3389927 0.5844679 -0.5508195 0.6769728 -2.3596913 -0.2146102 -0.5221342 -0.4300039 -2.6742938 9 O -2.3389927 -0.5844679 -0.5508195 -0.6769728 -2.3596913 0.2146102 -0.5221342 0.4300039 -2.6742938 10 O -2.7667984 1.0574190 -0.9020386 1.0410998 -2.5070276 -0.0187877 -0.8797507 -0.2027866 -2.8789461 11 O -2.6008468 -1.0615195 0.5633460 -1.0546773 -2.5641186 0.1415820 0.5597082 -0.0039829 -2.3476548 12 O -2.5591006 0.6790046 0.9575722 0.8150713 -2.3744105 -0.1062951 0.9144295 0.0013053 -2.7291376 ---------------------------------------------------------------------------- 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000004 (yyy) 0.00000004 (yyy) 0.00000004 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (xz) 0.00000003 (xz) 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 2026-01-09 00:31:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:31:24]------------------------- 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): [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2 (3) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.873358410000312 0.000000000000000 0.000000000000000 b 0.000000000000000 5.695764559999999 0.000000000000000 c -0.041284933855795 0.000000000000000 5.190421315175110 Atomic positions (fractional): 1 Hf 0.00000000000000 0.81734986545514 0.00000000000000 178.490 2 Hf 0.50000000000000 0.31925654223773 0.00000000000000 178.490 3 Hf 0.50000000000000 0.67738948516372 0.50000000000000 178.490 4 Sn 0.00000000000000 0.17299787951580 0.50000000000000 118.710 5 O 0.77411820168118 0.10639873346952 0.82689312985002 15.999 6 O 0.77201078076991 0.89625848878183 0.32302514785948 15.999 7 O 0.72099445676370 0.60598946614257 0.82874029769980 15.999 8 O 0.72965826426756 0.39785644541987 0.32757794893906 15.999 9 O 0.27034173573244 0.39785644541987 0.67242205106094 15.999 10 O 0.27900554323630 0.60598946614257 0.17125970230020 15.999 11 O 0.22588179831882 0.10639873346952 0.17310687014998 15.999 12 O 0.22798921923009 0.89625848878183 0.67697485214052 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.620075230000936 0.000000000000000 0.000000000000000 b 0.000000000000000 11.391529119999998 0.000000000000000 c -0.082569867711590 0.000000000000000 10.380842630350219 Atomic positions (fractional): 1 Hf 0.00000000000000 0.40867493272757 0.00000000000000 178.490 > 1 2 Hf 0.33333333333333 0.40867493272757 0.00000000000000 178.490 > 1 3 Hf 0.66666666666667 0.40867493272757 0.00000000000000 178.490 > 1 4 Hf 0.00000000000000 0.90867493272757 0.00000000000000 178.490 > 1 5 Hf 0.33333333333333 0.90867493272757 0.00000000000000 178.490 > 1 6 Hf 0.66666666666667 0.90867493272757 0.00000000000000 178.490 > 1 7 Hf 0.00000000000000 0.40867493272757 0.50000000000000 178.490 > 1 8 Hf 0.33333333333333 0.40867493272757 0.50000000000000 178.490 > 1 9 Hf 0.66666666666667 0.40867493272757 0.50000000000000 178.490 > 1 10 Hf 0.00000000000000 0.90867493272757 0.50000000000000 178.490 > 1 11 Hf 0.33333333333333 0.90867493272757 0.50000000000000 178.490 > 1 12 Hf 0.66666666666667 0.90867493272757 0.50000000000000 178.490 > 1 13 Hf 0.16666666666667 0.15962827111886 0.00000000000000 178.490 > 13 14 Hf 0.50000000000000 0.15962827111886 0.00000000000000 178.490 > 13 15 Hf 0.83333333333333 0.15962827111886 0.00000000000000 178.490 > 13 16 Hf 0.16666666666667 0.65962827111886 0.00000000000000 178.490 > 13 17 Hf 0.50000000000000 0.65962827111886 0.00000000000000 178.490 > 13 18 Hf 0.83333333333333 0.65962827111886 0.00000000000000 178.490 > 13 19 Hf 0.16666666666667 0.15962827111886 0.50000000000000 178.490 > 13 20 Hf 0.50000000000000 0.15962827111886 0.50000000000000 178.490 > 13 21 Hf 0.83333333333333 0.15962827111886 0.50000000000000 178.490 > 13 22 Hf 0.16666666666667 0.65962827111886 0.50000000000000 178.490 > 13 23 Hf 0.50000000000000 0.65962827111886 0.50000000000000 178.490 > 13 24 Hf 0.83333333333333 0.65962827111886 0.50000000000000 178.490 > 13 25 Hf 0.16666666666667 0.33869474258186 0.25000000000000 178.490 > 25 26 Hf 0.50000000000000 0.33869474258186 0.25000000000000 178.490 > 25 27 Hf 0.83333333333333 0.33869474258186 0.25000000000000 178.490 > 25 28 Hf 0.16666666666667 0.83869474258186 0.25000000000000 178.490 > 25 29 Hf 0.50000000000000 0.83869474258186 0.25000000000000 178.490 > 25 30 Hf 0.83333333333333 0.83869474258186 0.25000000000000 178.490 > 25 31 Hf 0.16666666666667 0.33869474258186 0.75000000000000 178.490 > 25 32 Hf 0.50000000000000 0.33869474258186 0.75000000000000 178.490 > 25 33 Hf 0.83333333333333 0.33869474258186 0.75000000000000 178.490 > 25 34 Hf 0.16666666666667 0.83869474258186 0.75000000000000 178.490 > 25 35 Hf 0.50000000000000 0.83869474258186 0.75000000000000 178.490 > 25 36 Hf 0.83333333333333 0.83869474258186 0.75000000000000 178.490 > 25 37 Sn 0.00000000000000 0.08649893975790 0.25000000000000 118.710 > 37 38 Sn 0.33333333333333 0.08649893975790 0.25000000000000 118.710 > 37 39 Sn 0.66666666666667 0.08649893975790 0.25000000000000 118.710 > 37 40 Sn 0.00000000000000 0.58649893975790 0.25000000000000 118.710 > 37 41 Sn 0.33333333333333 0.58649893975790 0.25000000000000 118.710 > 37 42 Sn 0.66666666666667 0.58649893975790 0.25000000000000 118.710 > 37 43 Sn 0.00000000000000 0.08649893975790 0.75000000000000 118.710 > 37 44 Sn 0.33333333333333 0.08649893975790 0.75000000000000 118.710 > 37 45 Sn 0.66666666666667 0.08649893975790 0.75000000000000 118.710 > 37 46 Sn 0.00000000000000 0.58649893975790 0.75000000000000 118.710 > 37 47 Sn 0.33333333333333 0.58649893975790 0.75000000000000 118.710 > 37 48 Sn 0.66666666666667 0.58649893975790 0.75000000000000 118.710 > 37 49 O 0.25803940056039 0.05319936673476 0.41344656492501 15.999 > 49 50 O 0.59137273389373 0.05319936673476 0.41344656492501 15.999 > 49 51 O 0.92470606722706 0.05319936673476 0.41344656492501 15.999 > 49 52 O 0.25803940056039 0.55319936673476 0.41344656492501 15.999 > 49 53 O 0.59137273389373 0.55319936673476 0.41344656492501 15.999 > 49 54 O 0.92470606722706 0.55319936673476 0.41344656492501 15.999 > 49 55 O 0.25803940056039 0.05319936673476 0.91344656492501 15.999 > 49 56 O 0.59137273389373 0.05319936673476 0.91344656492501 15.999 > 49 57 O 0.92470606722706 0.05319936673476 0.91344656492501 15.999 > 49 58 O 0.25803940056039 0.55319936673476 0.91344656492501 15.999 > 49 59 O 0.59137273389373 0.55319936673476 0.91344656492501 15.999 > 49 60 O 0.92470606722706 0.55319936673476 0.91344656492501 15.999 > 49 61 O 0.25733692692330 0.44812924439092 0.16151257392974 15.999 > 61 62 O 0.59067026025664 0.44812924439092 0.16151257392974 15.999 > 61 63 O 0.92400359358997 0.44812924439092 0.16151257392974 15.999 > 61 64 O 0.25733692692330 0.94812924439092 0.16151257392974 15.999 > 61 65 O 0.59067026025664 0.94812924439092 0.16151257392974 15.999 > 61 66 O 0.92400359358997 0.94812924439092 0.16151257392974 15.999 > 61 67 O 0.25733692692330 0.44812924439092 0.66151257392974 15.999 > 61 68 O 0.59067026025664 0.44812924439092 0.66151257392974 15.999 > 61 69 O 0.92400359358997 0.44812924439092 0.66151257392974 15.999 > 61 70 O 0.25733692692330 0.94812924439092 0.66151257392974 15.999 > 61 71 O 0.59067026025664 0.94812924439092 0.66151257392974 15.999 > 61 72 O 0.92400359358997 0.94812924439092 0.66151257392974 15.999 > 61 73 O 0.24033148558790 0.30299473307129 0.41437014884990 15.999 > 73 74 O 0.57366481892123 0.30299473307129 0.41437014884990 15.999 > 73 75 O 0.90699815225457 0.30299473307129 0.41437014884990 15.999 > 73 76 O 0.24033148558790 0.80299473307129 0.41437014884990 15.999 > 73 77 O 0.57366481892123 0.80299473307129 0.41437014884990 15.999 > 73 78 O 0.90699815225457 0.80299473307129 0.41437014884990 15.999 > 73 79 O 0.24033148558790 0.30299473307129 0.91437014884990 15.999 > 73 80 O 0.57366481892123 0.30299473307129 0.91437014884990 15.999 > 73 81 O 0.90699815225457 0.30299473307129 0.91437014884990 15.999 > 73 82 O 0.24033148558790 0.80299473307129 0.91437014884990 15.999 > 73 83 O 0.57366481892123 0.80299473307129 0.91437014884990 15.999 > 73 84 O 0.90699815225457 0.80299473307129 0.91437014884990 15.999 > 73 85 O 0.24321942142252 0.19892822270993 0.16378897446953 15.999 > 85 86 O 0.57655275475585 0.19892822270993 0.16378897446953 15.999 > 85 87 O 0.90988608808919 0.19892822270993 0.16378897446953 15.999 > 85 88 O 0.24321942142252 0.69892822270993 0.16378897446953 15.999 > 85 89 O 0.57655275475585 0.69892822270993 0.16378897446953 15.999 > 85 90 O 0.90988608808919 0.69892822270993 0.16378897446953 15.999 > 85 91 O 0.24321942142252 0.19892822270993 0.66378897446953 15.999 > 85 92 O 0.57655275475585 0.19892822270993 0.66378897446953 15.999 > 85 93 O 0.90988608808919 0.19892822270993 0.66378897446953 15.999 > 85 94 O 0.24321942142252 0.69892822270993 0.66378897446953 15.999 > 85 95 O 0.57655275475585 0.69892822270993 0.66378897446953 15.999 > 85 96 O 0.90988608808919 0.69892822270993 0.66378897446953 15.999 > 85 97 O 0.09011391191081 0.19892822270993 0.33621102553047 15.999 > 97 98 O 0.42344724524415 0.19892822270993 0.33621102553047 15.999 > 97 99 O 0.75678057857748 0.19892822270993 0.33621102553047 15.999 > 97 100 O 0.09011391191081 0.69892822270993 0.33621102553047 15.999 > 97 101 O 0.42344724524415 0.69892822270993 0.33621102553047 15.999 > 97 102 O 0.75678057857748 0.69892822270993 0.33621102553047 15.999 > 97 103 O 0.09011391191081 0.19892822270993 0.83621102553047 15.999 > 97 104 O 0.42344724524415 0.19892822270993 0.83621102553047 15.999 > 97 105 O 0.75678057857748 0.19892822270993 0.83621102553047 15.999 > 97 106 O 0.09011391191081 0.69892822270993 0.83621102553047 15.999 > 97 107 O 0.42344724524415 0.69892822270993 0.83621102553047 15.999 > 97 108 O 0.75678057857748 0.69892822270993 0.83621102553047 15.999 > 97 109 O 0.09300184774543 0.30299473307129 0.08562985115010 15.999 > 109 110 O 0.42633518107877 0.30299473307129 0.08562985115010 15.999 > 109 111 O 0.75966851441210 0.30299473307129 0.08562985115010 15.999 > 109 112 O 0.09300184774543 0.80299473307129 0.08562985115010 15.999 > 109 113 O 0.42633518107877 0.80299473307129 0.08562985115010 15.999 > 109 114 O 0.75966851441210 0.80299473307129 0.08562985115010 15.999 > 109 115 O 0.09300184774543 0.30299473307129 0.58562985115010 15.999 > 109 116 O 0.42633518107877 0.30299473307129 0.58562985115010 15.999 > 109 117 O 0.75966851441210 0.30299473307129 0.58562985115010 15.999 > 109 118 O 0.09300184774543 0.80299473307129 0.58562985115010 15.999 > 109 119 O 0.42633518107877 0.80299473307129 0.58562985115010 15.999 > 109 120 O 0.75966851441210 0.80299473307129 0.58562985115010 15.999 > 109 121 O 0.07529393277294 0.05319936673476 0.08655343507499 15.999 > 121 122 O 0.40862726610627 0.05319936673476 0.08655343507499 15.999 > 121 123 O 0.74196059943961 0.05319936673476 0.08655343507499 15.999 > 121 124 O 0.07529393277294 0.55319936673476 0.08655343507499 15.999 > 121 125 O 0.40862726610627 0.55319936673476 0.08655343507499 15.999 > 121 126 O 0.74196059943961 0.55319936673476 0.08655343507499 15.999 > 121 127 O 0.07529393277294 0.05319936673476 0.58655343507499 15.999 > 121 128 O 0.40862726610627 0.05319936673476 0.58655343507499 15.999 > 121 129 O 0.74196059943961 0.05319936673476 0.58655343507499 15.999 > 121 130 O 0.07529393277294 0.55319936673476 0.58655343507499 15.999 > 121 131 O 0.40862726610627 0.55319936673476 0.58655343507499 15.999 > 121 132 O 0.74196059943961 0.55319936673476 0.58655343507499 15.999 > 121 133 O 0.07599640641003 0.44812924439092 0.33848742607026 15.999 > 133 134 O 0.40932973974336 0.44812924439092 0.33848742607026 15.999 > 133 135 O 0.74266307307670 0.44812924439092 0.33848742607026 15.999 > 133 136 O 0.07599640641003 0.94812924439092 0.33848742607026 15.999 > 133 137 O 0.40932973974336 0.94812924439092 0.33848742607026 15.999 > 133 138 O 0.74266307307670 0.94812924439092 0.33848742607026 15.999 > 133 139 O 0.07599640641003 0.44812924439092 0.83848742607026 15.999 > 133 140 O 0.40932973974336 0.44812924439092 0.83848742607026 15.999 > 133 141 O 0.74266307307670 0.44812924439092 0.83848742607026 15.999 > 133 142 O 0.07599640641003 0.94812924439092 0.83848742607026 15.999 > 133 143 O 0.40932973974336 0.94812924439092 0.83848742607026 15.999 > 133 144 O 0.74266307307670 0.94812924439092 0.83848742607026 15.999 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.6689263 0.0000000 0.0031871 0.0000000 4.5116054 0.0000000 0.0031831 0.0000000 4.8195622 -------------------------- Born effective charges -------------------------- 1 Hf 5.6498026 0.0000000 0.2824998 0.0000000 5.0457127 0.0000000 0.1222533 0.0000000 5.4015715 2 Hf 5.2517199 0.0000000 -0.3228144 0.0000000 5.1112063 0.0000000 -0.1826923 0.0000000 5.4874730 3 Hf 5.2129507 0.0000000 -0.2678515 0.0000000 5.0692991 0.0000000 -0.2291761 0.0000000 5.8552797 4 Sn 4.4170036 0.0000000 0.1720462 0.0000000 4.3842778 0.0000000 0.1451095 0.0000000 4.5157404 5 O -2.6008468 1.0615195 0.5633460 1.0546773 -2.5641186 -0.1415820 0.5597082 0.0039829 -2.3476548 6 O -2.5591006 -0.6790046 0.9575722 -0.8150713 -2.3744105 0.1062951 0.9144295 -0.0013053 -2.7291376 7 O -2.7667984 -1.0574190 -0.9020386 -1.0410998 -2.5070276 0.0187877 -0.8797507 0.2027866 -2.8789461 8 O -2.3389927 0.5844679 -0.5508195 0.6769728 -2.3596913 -0.2146102 -0.5221342 -0.4300039 -2.6742938 9 O -2.3389927 -0.5844679 -0.5508195 -0.6769728 -2.3596913 0.2146102 -0.5221342 0.4300039 -2.6742938 10 O -2.7667984 1.0574190 -0.9020386 1.0410998 -2.5070276 -0.0187877 -0.8797507 -0.2027866 -2.8789461 11 O -2.6008468 -1.0615195 0.5633460 -1.0546773 -2.5641186 0.1415820 0.5597082 -0.0039829 -2.3476548 12 O -2.5591006 0.6790046 0.9575722 0.8150713 -2.3744105 -0.1062951 0.9144295 0.0013053 -2.7291376 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (yyy) 0.00000004 (yyy) 0.00000004 (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 ... [ 10 9 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.79, Number of G-points: 291, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/260) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 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 3.142 ( 0.000 0.000 0.000) 0.000 3.279 ( 0.000 0.000 0.000) 0.000 4.096 ( 0.000 0.000 0.000) 0.000 4.339 ( 0.000 0.000 0.000) 0.000 4.469 ( 0.000 0.000 0.000) 0.000 5.078 ( 0.000 0.000 0.000) 0.000 5.188 ( 0.000 0.000 0.000) 0.000 5.557 ( 0.000 0.000 0.000) 0.000 5.988 ( 0.000 0.000 0.000) 0.000 6.695 ( 0.000 0.000 0.000) 0.000 7.877 ( 0.000 0.000 0.000) 0.000 8.048 ( 0.000 0.000 0.000) 0.000 8.082 ( 0.000 0.000 0.000) 0.000 8.899 ( 0.000 0.000 0.000) 0.000 9.123 ( 0.000 0.000 0.000) 0.000 9.540 ( 0.000 0.000 0.000) 0.000 10.919 ( 0.000 0.000 0.000) 0.000 11.051 ( 0.000 0.000 0.000) 0.000 12.687 ( 0.000 0.000 0.000) 0.000 12.746 ( 0.000 0.000 0.000) 0.000 13.161 ( 0.000 0.000 0.000) 0.000 13.626 ( 0.000 0.000 0.000) 0.000 14.367 ( 0.000 0.000 0.000) 0.000 14.886 ( 0.000 0.000 0.000) 0.000 15.181 ( 0.000 0.000 0.000) 0.000 16.066 ( 0.000 0.000 0.000) 0.000 16.547 ( 0.000 0.000 0.000) 0.000 17.950 ( 0.000 0.000 0.000) 0.000 19.025 ( 0.000 0.000 0.000) 0.000 19.033 ( 0.000 0.000 0.000) 0.000 19.285 ( 0.000 0.000 0.000) 0.000 20.357 ( 0.000 0.000 0.000) 0.000 22.976 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/260) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 33.265 0.000 0.336) 33.267 0.712 ( 33.185 0.000 -3.615) 33.381 1.174 ( 56.337 0.000 3.437) 56.441 3.148 ( 0.435 0.000 -0.879) 0.981 3.318 ( 2.342 0.000 -3.279) 4.030 4.182 ( 7.275 0.000 2.683) 7.754 4.363 ( 1.354 0.000 1.562) 2.067 4.523 ( 2.825 0.000 5.448) 6.137 4.962 ( -8.671 0.000 15.286) 17.574 5.255 ( 3.799 0.000 -17.136) 17.553 5.533 ( -2.354 0.000 4.207) 4.821 6.647 ( -4.697 0.000 0.382) 4.713 7.788 ( 2.994 0.000 -79.313) 79.369 7.819 ( -4.956 0.000 3.561) 6.103 7.972 ( -9.275 0.000 2.399) 9.580 8.187 ( 1.360 0.000 42.264) 42.285 8.779 ( -11.421 0.000 5.271) 12.579 9.148 ( 2.427 0.000 -2.426) 3.432 9.588 ( 3.694 0.000 -0.727) 3.764 10.803 ( -8.699 0.000 1.131) 8.772 11.143 ( 6.068 0.000 7.265) 9.466 12.686 ( -0.741 0.000 5.361) 5.412 13.061 ( -4.054 0.000 -1.659) 4.380 13.410 ( 10.755 0.000 2.904) 11.140 13.856 ( 4.431 0.000 11.170) 12.016 14.393 ( 2.461 0.000 0.673) 2.551 14.905 ( 1.628 0.000 -1.983) 2.566 15.994 ( 1.656 0.000 -15.305) 15.394 16.541 ( -0.625 0.000 -0.297) 0.693 17.885 ( -6.257 0.000 -1.326) 6.396 18.424 ( -35.196 0.000 1.748) 35.239 18.887 ( -17.853 0.000 14.351) 22.906 19.664 ( 21.052 0.000 -5.085) 21.657 20.529 ( 14.036 0.000 -4.817) 14.840 22.235 ( 2.731 0.000 -5.265) 5.931 22.963 ( -1.300 0.000 0.632) 1.445 ======================= Grid point 2 (3/260) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 29.923 0.000 1.589) 29.965 1.381 ( 31.951 0.000 -4.142) 32.218 2.293 ( 51.963 0.000 2.914) 52.045 3.153 ( -0.164 0.000 -2.135) 2.141 3.380 ( 3.358 0.000 -2.744) 4.336 4.309 ( 1.153 0.000 2.926) 3.145 4.447 ( 9.217 0.000 -4.244) 10.147 4.615 ( 4.491 0.000 10.260) 11.200 4.785 ( -6.033 0.000 10.872) 12.434 5.319 ( 2.788 0.000 -17.984) 18.198 5.478 ( -2.654 0.000 6.809) 7.308 6.505 ( -8.995 0.000 0.687) 9.021 7.646 ( -12.156 0.000 5.279) 13.253 7.725 ( -12.469 0.000 -0.512) 12.480 7.786 ( -5.993 0.000 -22.521) 23.305 8.227 ( -0.678 0.000 -1.641) 1.776 8.553 ( -4.912 0.000 8.402) 9.733 9.243 ( 6.713 0.000 -1.051) 6.795 9.659 ( 2.933 0.000 -0.190) 2.939 10.594 ( -11.595 0.000 -0.260) 11.598 11.272 ( 6.222 0.000 6.068) 8.691 12.615 ( -6.768 0.000 5.805) 8.917 13.074 ( 6.110 0.000 -5.180) 8.010 13.650 ( 12.185 0.000 0.366) 12.191 13.992 ( 8.581 0.000 6.465) 10.744 14.459 ( 3.692 0.000 -0.373) 3.711 14.941 ( 1.640 0.000 -3.003) 3.422 16.046 ( 3.674 0.000 -5.711) 6.791 16.511 ( -3.059 0.000 -0.687) 3.135 17.668 ( -35.408 0.000 7.400) 36.173 17.702 ( -12.932 0.000 -0.454) 12.940 18.464 ( -21.897 0.000 7.685) 23.207 20.029 ( 14.494 0.000 -1.275) 14.550 20.834 ( 14.381 0.000 -5.920) 15.552 22.312 ( 4.670 0.000 -1.628) 4.946 22.923 ( -2.582 0.000 1.145) 2.824 ======================= Grid point 3 (4/260) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 25.332 0.000 1.880) 25.401 2.010 ( 29.065 0.000 -3.005) 29.220 3.108 ( -0.362 0.000 -1.840) 1.875 3.265 ( 31.170 0.000 -0.244) 31.171 3.461 ( 9.999 0.000 -2.066) 10.210 4.270 ( -3.750 0.000 0.092) 3.751 4.482 ( -7.056 0.000 9.507) 11.839 4.729 ( 10.796 0.000 4.712) 11.779 4.907 ( 13.495 0.000 2.276) 13.686 5.367 ( 2.129 0.000 -17.953) 18.079 5.447 ( 0.077 0.000 8.189) 8.189 6.285 ( -12.199 0.000 0.728) 12.220 7.313 ( -17.970 0.000 3.864) 18.381 7.491 ( -11.809 0.000 4.245) 12.548 7.551 ( -14.961 0.000 -4.248) 15.553 8.052 ( -11.693 0.000 -9.571) 15.111 8.720 ( 16.003 0.000 0.597) 16.014 9.404 ( 8.384 0.000 -0.337) 8.391 9.703 ( 1.266 0.000 0.403) 1.329 10.332 ( -13.785 0.000 0.568) 13.797 11.398 ( 5.908 0.000 4.294) 7.303 12.436 ( -9.732 0.000 1.864) 9.909 13.296 ( 14.832 0.000 -2.300) 15.010 13.893 ( 11.141 0.000 1.439) 11.234 14.194 ( 10.261 0.000 1.479) 10.367 14.536 ( 3.949 0.000 -2.215) 4.528 14.963 ( 0.463 0.000 -3.345) 3.377 16.146 ( 5.824 0.000 -0.889) 5.892 16.324 ( -18.790 0.000 0.635) 18.801 17.035 ( -20.355 0.000 11.752) 23.504 17.430 ( -14.225 0.000 -3.675) 14.692 18.034 ( -19.333 0.000 4.236) 19.791 20.265 ( 8.735 0.000 0.006) 8.735 21.087 ( 10.106 0.000 -4.883) 11.224 22.419 ( 5.587 0.000 -0.689) 5.629 22.859 ( -3.727 0.000 1.417) 3.987 ======================= Grid point 4 (5/260) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 19.603 0.000 2.611) 19.776 2.558 ( 23.867 0.000 -1.986) 23.950 3.007 ( -7.254 0.000 -2.693) 7.738 3.327 ( -8.108 0.000 -3.114) 8.685 4.021 ( 19.830 0.000 -1.375) 19.878 4.217 ( 1.170 0.000 3.000) 3.220 4.369 ( -1.778 0.000 9.630) 9.793 4.981 ( 13.968 0.000 -4.131) 14.566 5.162 ( 8.037 0.000 4.840) 9.382 5.395 ( 0.077 0.000 -12.799) 12.799 5.505 ( 6.194 0.000 6.304) 8.838 6.021 ( -12.817 0.000 -0.402) 12.823 6.990 ( -11.690 0.000 3.653) 12.247 7.167 ( -16.867 0.000 1.581) 16.941 7.315 ( -8.230 0.000 1.163) 8.312 7.846 ( -7.436 0.000 -5.865) 9.471 9.077 ( 17.063 0.000 -2.053) 17.187 9.564 ( 6.603 0.000 -0.049) 6.604 9.709 ( -0.730 0.000 -0.097) 0.737 10.041 ( -13.938 0.000 1.733) 14.045 11.509 ( 4.606 0.000 2.436) 5.211 12.249 ( -7.660 0.000 -0.109) 7.661 13.633 ( 16.015 0.000 0.863) 16.038 14.091 ( 7.509 0.000 1.713) 7.702 14.366 ( 5.138 0.000 -3.127) 6.014 14.655 ( 9.378 0.000 -5.346) 10.795 14.961 ( -0.452 0.000 -2.993) 3.027 15.725 ( -32.531 0.000 10.585) 34.210 16.320 ( 9.259 0.000 -2.123) 9.499 16.832 ( -5.046 0.000 8.065) 9.514 17.158 ( -10.403 0.000 -5.050) 11.564 17.700 ( -12.491 0.000 2.024) 12.654 20.395 ( 4.068 0.000 0.241) 4.075 21.242 ( 5.014 0.000 -2.719) 5.704 22.534 ( 5.462 0.000 -0.682) 5.504 22.774 ( -4.425 0.000 1.340) 4.623 ======================= Grid point 5 (6/260) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( -0.000 0.000 -0.000) 0.000 2.808 ( 0.000 0.000 0.000) 0.000 2.985 ( -0.000 0.000 -0.000) 0.000 3.110 ( 0.000 0.000 0.000) 0.000 4.145 ( 0.000 0.000 0.000) 0.000 4.225 ( 0.000 0.000 -0.000) 0.000 4.448 ( 0.000 0.000 -0.000) 0.000 5.212 ( 0.000 0.000 0.000) 0.000 5.260 ( -0.000 0.000 0.000) 0.000 5.307 ( 0.000 0.000 -0.000) 0.000 5.633 ( 0.000 0.000 0.000) 0.000 5.841 ( 0.000 0.000 0.000) 0.000 6.890 ( 0.000 0.000 0.000) 0.000 6.941 ( 0.000 0.000 -0.000) 0.000 7.223 ( 0.000 0.000 0.000) 0.000 7.766 ( 0.000 0.000 0.000) 0.000 9.304 ( 0.000 0.000 0.000) 0.000 9.641 ( -0.000 0.000 -0.000) 0.000 9.693 ( 0.000 0.000 0.000) 0.000 9.850 ( 0.000 0.000 -0.000) 0.000 11.564 ( 0.000 0.000 0.000) 0.000 12.162 ( 0.000 0.000 -0.000) 0.000 13.828 ( 0.000 0.000 -0.000) 0.000 14.174 ( 0.000 0.000 -0.000) 0.000 14.406 ( 0.000 0.000 -0.000) 0.000 14.878 ( -0.000 0.000 -0.000) 0.000 14.949 ( 0.000 0.000 0.000) 0.000 15.243 ( 0.000 0.000 -0.000) 0.000 16.464 ( 0.000 0.000 0.000) 0.000 16.738 ( 0.000 0.000 -0.000) 0.000 17.060 ( 0.000 0.000 0.000) 0.000 17.562 ( 0.000 0.000 0.000) 0.000 20.436 ( 0.000 0.000 0.000) 0.000 21.293 ( 0.000 0.000 -0.000) 0.000 22.615 ( -0.000 0.000 0.000) 0.000 22.704 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 11 (7/260) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( 0.000 24.880 0.000) 24.880 0.674 ( 0.000 33.244 0.000) 33.244 1.033 ( 0.000 51.735 0.000) 51.735 3.275 ( 0.000 13.009 0.000) 13.009 3.279 ( 0.000 -0.314 0.000) 0.314 3.905 ( 0.000 -15.539 0.000) 15.539 4.364 ( 0.000 3.459 0.000) 3.459 4.632 ( 0.000 11.478 0.000) 11.478 5.041 ( 0.000 -5.902 0.000) 5.902 5.268 ( 0.000 8.015 0.000) 8.015 5.681 ( 0.000 12.013 0.000) 12.013 6.041 ( 0.000 5.399 0.000) 5.399 6.678 ( 0.000 -7.839 0.000) 7.839 7.966 ( 0.000 7.426 0.000) 7.426 7.998 ( 0.000 -5.076 0.000) 5.076 8.868 ( 0.000 -3.043 0.000) 3.043 9.107 ( 0.000 -1.592 0.000) 1.592 9.423 ( 0.000 -7.190 0.000) 7.190 10.034 ( 0.000 2.838 0.000) 2.838 10.998 ( 0.000 8.100 0.000) 8.100 11.068 ( 0.000 1.280 0.000) 1.280 12.791 ( 0.000 4.529 0.000) 4.529 12.897 ( 0.000 5.517 0.000) 5.517 13.577 ( 0.000 -5.152 0.000) 5.152 14.266 ( 0.000 -9.195 0.000) 9.195 14.825 ( 0.000 -3.902 0.000) 3.902 15.206 ( 0.000 1.603 0.000) 1.603 16.062 ( 0.000 -0.249 0.000) 0.249 16.584 ( 0.000 3.905 0.000) 3.905 17.932 ( 0.000 -1.740 0.000) 1.740 18.807 ( 0.000 -0.747 0.000) 0.747 19.011 ( 0.000 -1.344 0.000) 1.344 19.301 ( 0.000 1.439 0.000) 1.439 19.505 ( 0.000 -0.683 0.000) 0.683 21.270 ( 0.000 5.511 0.000) 5.511 22.954 ( 0.000 -3.616 0.000) 3.616 ======================= Grid point 12 (8/260) ======================= q-point: ( 0.10 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 18.093 13.493 3.358) 22.818 0.831 ( 26.115 13.076 4.410) 29.536 1.672 ( 41.821 35.103 -2.349) 54.651 3.255 ( -1.077 8.244 -1.975) 8.545 3.322 ( 2.857 2.760 -1.074) 4.115 3.979 ( 6.791 -15.433 2.031) 16.983 4.395 ( 2.303 4.438 1.282) 5.162 4.688 ( 3.221 9.892 0.396) 10.411 4.965 ( -6.087 -0.966 13.240) 14.604 5.306 ( 2.410 5.999 -12.603) 14.164 5.656 ( -2.485 11.707 3.683) 12.522 6.526 ( 8.532 -11.637 -2.364) 14.622 6.790 ( 26.001 -25.231 -10.767) 37.797 7.891 ( -6.475 3.610 3.214) 8.080 7.961 ( -4.408 -2.479 -2.397) 5.597 8.705 ( -16.710 -0.266 2.640) 16.920 8.794 ( -20.535 3.340 -6.418) 21.773 9.503 ( 5.205 -1.713 5.995) 8.122 9.757 ( -10.612 29.222 -8.622) 32.263 10.856 ( -9.159 4.820 2.222) 10.586 11.200 ( 7.614 5.900 7.277) 12.072 12.683 ( -3.543 2.386 3.696) 5.649 13.066 ( 7.012 3.421 -1.010) 7.867 13.575 ( 0.556 0.179 1.531) 1.639 14.227 ( -16.566 16.253 8.557) 24.735 14.337 ( -9.469 8.032 3.567) 12.919 14.877 ( 0.628 -2.437 -1.279) 2.823 15.952 ( -1.893 -3.649 -11.608) 12.314 16.589 ( 0.368 4.673 -1.192) 4.836 17.872 ( -6.166 -1.267 -1.159) 6.401 18.414 ( -34.573 -0.818 1.628) 34.621 18.914 ( -15.025 2.250 14.975) 21.332 19.554 ( 22.203 -10.748 -11.066) 27.036 20.264 ( 28.940 -18.626 -0.986) 34.430 21.818 ( 29.823 -17.235 -3.682) 34.641 22.940 ( -1.265 -3.014 0.249) 3.278 ======================= Grid point 13 (9/260) ======================= q-point: ( 0.20 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 31.560 -8.371 -3.066) 32.795 1.394 ( 27.364 5.973 4.651) 28.392 2.554 ( 42.517 20.138 0.107) 47.046 3.226 ( -1.836 6.303 -2.628) 7.071 3.386 ( 3.217 1.689 -1.742) 4.029 4.160 ( 9.746 -13.548 3.592) 17.072 4.448 ( 2.875 5.550 -1.307) 6.386 4.693 ( -4.850 0.481 6.305) 7.969 4.904 ( 3.222 11.591 8.499) 14.730 5.345 ( 1.529 3.214 -14.048) 14.492 5.597 ( -2.748 11.198 4.922) 12.537 6.451 ( -8.027 -5.275 0.594) 9.623 7.277 ( 9.949 -21.377 -6.176) 24.374 7.745 ( -6.919 -3.243 -12.222) 14.414 7.821 ( -6.410 1.491 9.731) 11.748 8.285 ( -18.676 3.861 -3.284) 19.352 8.514 ( -8.269 -1.160 2.082) 8.606 9.598 ( 3.995 7.248 4.359) 9.354 9.673 ( -0.244 18.864 -6.908) 20.090 10.652 ( -10.540 5.736 1.635) 12.111 11.353 ( 7.061 8.186 6.437) 12.582 12.623 ( -3.840 1.423 4.980) 6.447 13.146 ( 3.553 6.103 -3.131) 7.725 13.664 ( 8.067 0.371 2.039) 8.329 14.085 ( 3.133 9.121 3.481) 10.253 14.368 ( 3.414 -8.718 0.421) 9.373 14.902 ( 1.225 -3.966 -3.378) 5.352 15.920 ( -2.003 -11.014 -2.292) 11.427 16.598 ( 0.386 7.562 -2.749) 8.055 17.671 ( -25.102 -0.193 1.747) 25.163 17.706 ( -20.801 1.023 3.316) 21.089 18.533 ( -20.358 6.624 8.419) 23.004 19.928 ( 14.529 -10.414 -3.912) 18.299 20.699 ( 16.430 -11.993 -3.511) 20.642 22.213 ( 11.978 -7.089 -1.839) 14.040 22.903 ( -2.372 -2.244 0.661) 3.332 ======================= Grid point 14 (10/260) ======================= q-point: ( 0.30 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 28.715 -10.954 -4.435) 31.051 1.929 ( 24.536 1.020 4.339) 24.937 3.150 ( -2.212 2.330 -2.645) 4.161 3.307 ( 14.250 1.465 -0.829) 14.349 3.509 ( 19.629 6.528 -0.998) 20.710 4.289 ( 0.781 -0.633 4.002) 4.127 4.500 ( -0.982 1.769 2.525) 3.236 4.643 ( 6.966 -2.398 6.924) 10.110 5.049 ( 8.892 10.337 0.006) 13.635 5.365 ( 0.615 0.793 -10.098) 10.148 5.569 ( 0.359 10.674 3.070) 11.113 6.250 ( -11.197 -3.211 0.791) 11.675 7.164 ( -13.574 -8.449 2.240) 16.145 7.499 ( -15.365 -2.028 1.043) 15.533 7.735 ( -10.566 13.970 1.350) 17.568 8.010 ( -6.922 -4.390 -10.797) 13.556 8.541 ( 11.569 -10.797 1.740) 15.920 9.639 ( -1.764 -3.245 -3.061) 4.797 9.714 ( 5.141 21.585 0.658) 22.199 10.435 ( -10.283 9.849 2.094) 14.391 11.491 ( 6.240 9.369 4.494) 12.120 12.505 ( -7.295 6.380 2.463) 9.999 13.296 ( 11.335 0.337 -1.390) 11.425 13.857 ( 9.682 -3.245 2.169) 10.440 14.214 ( 7.189 1.400 -0.442) 7.337 14.445 ( 4.415 -9.014 -1.646) 10.172 14.915 ( -0.010 -4.963 -3.790) 6.244 15.821 ( -9.569 -20.793 4.618) 23.350 16.585 ( -2.213 14.689 -5.153) 15.723 17.085 ( -20.522 5.012 10.317) 23.510 17.441 ( -12.479 1.136 -2.871) 12.855 18.123 ( -19.031 8.898 4.927) 21.578 20.162 ( 8.595 -10.512 -1.636) 13.677 20.972 ( 10.373 -11.017 -3.141) 15.455 22.399 ( 7.243 -1.617 -0.844) 7.469 22.843 ( -3.431 -1.562 0.979) 3.895 ======================= Grid point 15 (11/260) ======================= q-point: ( 0.40 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 18.801 -3.603 1.653) 19.214 2.413 ( 21.797 -10.852 -1.694) 24.408 3.049 ( -5.832 3.068 -2.119) 6.922 3.277 ( -8.703 -4.846 -1.899) 10.141 4.024 ( 18.102 -0.279 -0.534) 18.112 4.259 ( -1.621 3.914 3.467) 5.474 4.480 ( 1.463 9.198 6.400) 11.301 4.907 ( 14.880 -6.284 2.830) 16.398 5.213 ( 5.778 4.570 -7.688) 10.648 5.365 ( -0.487 -0.596 -2.405) 2.525 5.620 ( 4.254 9.116 1.821) 10.223 6.008 ( -11.849 -0.637 0.353) 11.872 6.911 ( -8.703 -4.811 2.372) 10.223 7.164 ( -15.911 -0.494 2.143) 16.063 7.485 ( -10.402 12.998 1.861) 16.751 7.901 ( -4.143 5.795 -6.772) 9.829 8.868 ( 17.171 -15.327 -0.218) 23.018 9.538 ( -7.803 -10.126 -2.350) 12.998 9.835 ( 5.840 18.764 0.205) 19.653 10.248 ( -7.568 16.561 2.072) 18.326 11.605 ( 4.523 9.556 2.453) 10.853 12.357 ( -6.235 10.531 0.397) 12.245 13.577 ( 14.389 -5.373 1.262) 15.411 14.029 ( 6.070 -5.910 1.380) 8.584 14.304 ( 1.218 -6.594 -2.864) 7.292 14.587 ( 9.957 -6.517 -5.441) 13.085 14.899 ( -1.488 -6.442 -2.542) 7.083 15.483 ( -21.431 -17.953 9.904) 29.659 16.552 ( 1.436 16.645 -4.449) 17.289 16.856 ( -6.412 2.833 7.757) 10.455 17.237 ( -5.689 7.463 -3.258) 9.934 17.778 ( -13.802 8.317 2.580) 16.320 20.289 ( 3.977 -10.640 -0.608) 11.375 21.128 ( 5.012 -11.236 -1.760) 12.428 22.529 ( 5.482 -0.567 -0.680) 5.553 22.766 ( -4.020 -0.820 1.024) 4.228 ======================= Grid point 16 (12/260) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( -0.000 -5.586 -0.000) 5.586 2.674 ( 0.000 -12.250 0.000) 12.250 3.016 ( -0.000 2.550 0.000) 2.550 3.075 ( 0.000 -3.016 0.000) 3.016 4.210 ( 0.000 5.250 -0.000) 5.250 4.211 ( -0.000 -1.456 0.000) 1.456 4.536 ( 0.000 7.756 -0.000) 7.756 5.107 ( 0.000 -9.337 0.000) 9.337 5.296 ( -0.000 -1.297 0.000) 1.297 5.321 ( 0.000 5.826 -0.000) 5.826 5.701 ( -0.000 6.405 0.000) 6.405 5.836 ( 0.000 0.813 0.000) 0.813 6.850 ( 0.000 -2.167 0.000) 2.167 6.948 ( 0.000 0.431 -0.000) 0.431 7.371 ( 0.000 12.394 0.000) 12.394 7.855 ( 0.000 8.639 -0.000) 8.639 9.114 ( 0.000 -14.294 0.000) 14.294 9.393 ( 0.000 -14.846 0.000) 14.846 9.911 ( 0.000 17.088 0.000) 17.088 10.156 ( 0.000 20.654 0.000) 20.654 11.656 ( 0.000 9.304 0.000) 9.304 12.286 ( 0.000 12.250 -0.000) 12.250 13.766 ( 0.000 -6.360 0.000) 6.360 14.080 ( 0.000 -9.339 -0.000) 9.339 14.308 ( 0.000 -9.240 -0.000) 9.240 14.808 ( -0.000 -6.910 0.000) 6.910 14.821 ( 0.000 -11.543 0.000) 11.543 15.175 ( 0.000 -6.129 -0.000) 6.129 16.615 ( 0.000 12.971 0.000) 12.971 16.747 ( 0.000 1.287 -0.000) 1.287 17.202 ( 0.000 13.474 0.000) 13.474 17.617 ( 0.000 6.063 0.000) 6.063 20.329 ( 0.000 -10.683 -0.000) 10.683 21.179 ( 0.000 -11.380 0.000) 11.380 22.604 ( -0.000 -1.129 0.000) 1.129 22.705 ( 0.000 0.067 -0.000) 0.067 ======================= Grid point 22 (13/260) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 0.000 24.409 0.000) 24.409 1.285 ( 0.000 28.846 0.000) 28.846 1.995 ( 0.000 46.246 0.000) 46.246 3.253 ( 0.000 -2.653 0.000) 2.653 3.569 ( 0.000 -18.078 0.000) 18.078 3.616 ( 0.000 20.713 0.000) 20.713 4.458 ( 0.000 5.621 0.000) 5.621 4.843 ( 0.000 9.739 0.000) 9.739 4.878 ( 0.000 -10.345 0.000) 10.345 5.482 ( 0.000 13.126 0.000) 13.126 5.978 ( 0.000 16.937 0.000) 16.937 6.195 ( 0.000 10.331 0.000) 10.331 6.452 ( 0.000 -15.129 0.000) 15.129 7.851 ( 0.000 -9.934 0.000) 9.934 8.153 ( 0.000 10.888 0.000) 10.888 8.790 ( 0.000 -4.512 0.000) 4.512 9.061 ( 0.000 -3.114 0.000) 3.114 9.239 ( 0.000 -11.045 0.000) 11.045 10.132 ( 0.000 7.496 0.000) 7.496 11.082 ( 0.000 -0.325 0.000) 0.325 11.229 ( 0.000 15.290 0.000) 15.290 12.913 ( 0.000 7.366 0.000) 7.366 13.043 ( 0.000 8.936 0.000) 8.936 13.419 ( 0.000 -10.949 0.000) 10.949 14.063 ( 0.000 -10.357 0.000) 10.357 14.718 ( 0.000 -6.874 0.000) 6.874 15.205 ( 0.000 -2.234 0.000) 2.234 16.066 ( 0.000 0.855 0.000) 0.855 16.690 ( 0.000 6.597 0.000) 6.597 17.882 ( 0.000 -3.356 0.000) 3.356 18.789 ( 0.000 -1.017 0.000) 1.017 18.981 ( 0.000 -1.582 0.000) 1.582 19.333 ( 0.000 1.694 0.000) 1.694 19.488 ( 0.000 -0.987 0.000) 0.987 21.421 ( 0.000 9.589 0.000) 9.589 22.851 ( 0.000 -6.773 0.000) 6.773 ======================= Grid point 23 (14/260) ======================= q-point: ( 0.10 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -3.476 27.420 4.196) 27.957 1.158 ( 14.696 21.244 4.383) 26.201 2.351 ( 26.735 33.105 -2.264) 42.612 3.261 ( 0.518 -3.054 -2.638) 4.069 3.545 ( -1.806 3.602 -2.429) 4.705 3.712 ( 8.628 -0.729 4.175) 9.612 4.505 ( 3.910 6.175 1.063) 7.386 4.757 ( -5.865 -5.398 -1.413) 8.095 4.985 ( 7.086 5.939 6.429) 11.261 5.487 ( -0.293 11.454 -6.369) 13.109 5.941 ( -3.475 15.916 3.833) 16.736 6.373 ( 4.012 -5.906 -0.162) 7.142 6.513 ( 16.464 -6.780 -5.716) 18.700 7.806 ( -4.711 -8.927 0.443) 10.103 8.046 ( -9.829 6.942 0.842) 12.063 8.613 ( -14.592 -6.807 2.496) 16.294 8.854 ( -13.687 3.106 -6.872) 15.628 9.394 ( 8.950 -7.105 2.824) 11.771 10.146 ( 0.770 13.607 -6.083) 14.924 10.953 ( -8.097 4.053 1.106) 9.122 11.380 ( 9.902 12.778 8.357) 18.198 12.785 ( -6.898 7.305 2.394) 10.328 13.169 ( 6.524 5.966 -0.877) 8.884 13.482 ( 6.066 -7.992 0.785) 10.064 14.081 ( 1.548 -10.808 2.640) 11.233 14.653 ( -12.178 1.755 -0.600) 12.319 14.880 ( -16.037 5.156 7.469) 18.426 15.887 ( -10.131 -2.044 -5.351) 11.639 16.711 ( 1.941 7.417 -1.545) 7.821 17.836 ( -5.395 -2.403 -1.045) 5.998 18.400 ( -32.650 -0.425 1.188) 32.674 18.929 ( -5.626 -2.333 14.251) 15.498 19.359 ( 12.354 -5.574 -20.083) 24.228 20.014 ( 27.277 -8.021 5.867) 29.031 21.708 ( 22.251 1.968 -2.855) 22.520 22.849 ( -0.266 -6.101 -0.132) 6.108 ======================= Grid point 24 (15/260) ======================= q-point: ( 0.20 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 14.826 10.498 1.393) 18.220 1.571 ( 21.713 11.783 4.297) 25.075 2.915 ( 25.693 15.539 0.065) 30.027 3.257 ( -1.087 -3.303 -4.734) 5.873 3.513 ( -0.564 5.562 -1.614) 5.819 3.952 ( 14.222 -2.447 5.709) 15.520 4.564 ( -1.571 1.334 -3.318) 3.906 4.656 ( -0.341 0.094 6.665) 6.674 5.136 ( 7.008 10.905 3.085) 13.324 5.456 ( -2.252 7.517 -8.382) 11.482 5.861 ( -3.734 14.321 5.090) 15.651 6.319 ( -5.203 -7.294 -0.431) 8.970 6.978 ( 19.283 -8.628 -5.544) 21.841 7.647 ( -9.691 -6.616 -6.131) 13.239 7.825 ( -8.760 -0.636 7.926) 11.831 8.273 ( -17.180 -5.315 0.794) 18.001 8.604 ( -9.778 10.078 -4.051) 14.615 9.529 ( 3.496 -5.602 -0.821) 6.654 10.153 ( 0.342 20.977 -5.456) 21.678 10.795 ( -7.025 7.956 3.329) 11.123 11.582 ( 9.199 14.971 8.198) 19.390 12.684 ( -3.020 4.847 3.625) 6.764 13.261 ( 2.960 4.603 -1.337) 5.633 13.641 ( 8.269 -2.639 2.597) 9.060 14.117 ( 1.815 -12.003 2.090) 12.318 14.327 ( -9.789 9.878 1.603) 13.999 14.788 ( -0.798 -7.613 -3.653) 8.482 15.686 ( -10.520 -11.397 1.986) 15.637 16.765 ( 3.250 8.967 -3.813) 10.272 17.651 ( -14.913 -1.573 -2.656) 15.229 17.759 ( -24.899 4.458 3.195) 25.496 18.688 ( -15.184 7.862 10.915) 20.286 19.649 ( 13.152 -16.117 -11.396) 23.719 20.454 ( 16.104 -11.834 2.199) 20.105 22.121 ( 16.143 -1.894 -2.045) 16.382 22.836 ( -1.176 -4.519 -0.158) 4.672 ======================= Grid point 25 (16/260) ======================= q-point: ( 0.30 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 22.942 -6.742 -2.044) 23.999 2.003 ( 19.580 5.584 3.530) 20.665 3.162 ( -2.972 -3.342 -0.675) 4.523 3.294 ( 1.660 1.189 -1.919) 2.802 3.627 ( 15.108 0.405 -2.322) 15.291 4.248 ( 11.188 -0.099 10.047) 15.037 4.504 ( 1.002 -1.935 -3.407) 4.044 4.718 ( 3.709 7.906 5.228) 10.178 5.246 ( 2.910 8.242 -6.334) 10.794 5.424 ( 0.058 5.825 -1.521) 6.020 5.810 ( -1.000 12.965 3.103) 13.368 6.188 ( -7.332 -2.157 -0.239) 7.646 7.046 ( -9.703 -3.538 0.956) 10.372 7.435 ( -13.136 -4.302 1.077) 13.864 7.855 ( 6.273 -7.086 -7.222) 11.905 7.973 ( -6.844 4.432 2.940) 8.667 8.467 ( -2.452 4.674 -1.242) 5.423 9.515 ( -5.127 -7.623 -2.589) 9.544 10.175 ( 2.094 22.641 -3.213) 22.963 10.676 ( -4.548 13.689 3.624) 14.872 11.751 ( 7.018 16.821 5.533) 19.047 12.644 ( -1.382 6.876 3.324) 7.762 13.326 ( 4.278 2.752 -0.214) 5.092 13.791 ( 6.236 -2.780 2.978) 7.449 14.145 ( -0.361 -13.620 -0.831) 13.650 14.285 ( 4.470 -1.789 -2.364) 5.364 14.764 ( -1.824 -10.606 -4.267) 11.577 15.437 ( -13.715 -17.371 7.435) 23.348 16.821 ( 1.176 8.991 -6.342) 11.065 17.217 ( -17.879 7.388 2.721) 19.536 17.493 ( -7.842 5.555 0.455) 9.621 18.358 ( -16.626 14.142 6.836) 22.872 19.868 ( 8.393 -18.681 -6.363) 21.445 20.704 ( 8.746 -15.379 1.138) 17.728 22.371 ( 8.956 -1.053 -1.012) 9.074 22.799 ( -2.353 -2.864 0.059) 3.708 ======================= Grid point 26 (17/260) ======================= q-point: ( 0.40 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 19.891 -14.999 -2.740) 25.063 2.337 ( 11.576 -2.252 2.182) 11.994 3.070 ( -4.509 -3.029 -1.223) 5.568 3.205 ( -7.396 1.101 0.401) 7.488 3.963 ( 14.186 -7.142 -2.523) 16.081 4.306 ( -1.989 -1.308 5.240) 5.755 4.644 ( 6.020 6.106 4.149) 9.526 4.829 ( 7.910 0.433 2.356) 8.265 5.264 ( 0.288 1.097 -12.717) 12.767 5.449 ( 1.428 8.442 4.153) 9.516 5.818 ( 1.426 10.711 1.155) 10.867 6.029 ( -7.854 3.223 -0.012) 8.490 6.853 ( -5.688 -1.029 1.634) 6.007 7.141 ( -13.970 -1.986 2.095) 14.265 7.712 ( -7.537 9.030 1.855) 11.908 8.071 ( 1.886 10.654 -8.229) 13.593 8.588 ( 13.747 -12.009 2.480) 18.421 9.331 ( -11.882 -10.554 -2.390) 16.071 10.234 ( 3.195 20.793 -1.800) 21.114 10.603 ( -2.777 18.794 2.546) 19.168 11.867 ( 4.031 16.694 2.693) 17.384 12.617 ( -1.286 14.319 1.567) 14.461 13.459 ( 8.436 -5.306 1.775) 10.123 13.882 ( 0.975 -8.690 0.317) 8.750 14.098 ( -2.522 -14.199 -1.088) 14.462 14.436 ( 8.562 -8.039 -6.105) 13.237 14.707 ( -3.739 -12.856 -0.289) 13.392 15.160 ( -11.933 -14.223 7.572) 20.051 16.794 ( -2.001 6.624 -5.807) 9.033 16.969 ( -8.211 8.166 3.357) 12.057 17.446 ( 3.601 14.679 -0.198) 15.115 18.027 ( -15.006 16.686 3.992) 22.793 19.995 ( 4.105 -18.872 -3.042) 19.552 20.830 ( 3.832 -18.529 0.640) 18.931 22.512 ( 5.063 -1.154 -0.609) 5.229 22.744 ( -2.809 -1.315 0.323) 3.118 ======================= Grid point 27 (18/260) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 0.000 -17.337 0.000) 17.337 2.412 ( -0.000 -11.051 -0.000) 11.051 3.032 ( -0.000 -0.334 0.000) 0.334 3.087 ( 0.000 5.013 0.000) 5.013 4.140 ( 0.000 -6.868 -0.000) 6.868 4.257 ( -0.000 -3.079 0.000) 3.079 4.698 ( 0.000 7.754 -0.000) 7.754 4.931 ( 0.000 -6.186 0.000) 6.186 5.276 ( 0.000 0.430 0.000) 0.430 5.465 ( 0.000 8.215 -0.000) 8.215 5.855 ( -0.000 8.647 -0.000) 8.647 5.910 ( 0.000 6.594 0.000) 6.594 6.834 ( -0.000 0.375 0.000) 0.375 6.949 ( 0.000 -0.328 0.000) 0.328 7.632 ( 0.000 13.333 0.000) 13.333 8.073 ( 0.000 12.712 -0.000) 12.712 8.824 ( 0.000 -14.934 0.000) 14.934 9.130 ( 0.000 -12.029 0.000) 12.029 10.274 ( 0.000 19.275 0.000) 19.275 10.570 ( 0.000 21.067 0.000) 21.067 11.910 ( 0.000 16.024 0.000) 16.024 12.602 ( 0.000 18.469 -0.000) 18.469 13.595 ( 0.000 -10.008 0.000) 10.008 13.835 ( 0.000 -14.670 0.000) 14.670 14.086 ( 0.000 -12.538 -0.000) 12.538 14.578 ( 0.000 -11.858 -0.000) 11.858 14.621 ( 0.000 -11.863 0.000) 11.863 15.022 ( 0.000 -9.326 -0.000) 9.326 16.787 ( 0.000 2.548 0.000) 2.548 16.863 ( 0.000 10.576 -0.000) 10.576 17.540 ( -0.000 20.335 0.000) 20.335 17.823 ( 0.000 15.425 0.000) 15.425 20.037 ( 0.000 -18.690 -0.000) 18.690 20.869 ( 0.000 -19.778 0.000) 19.778 22.571 ( 0.000 -2.141 0.000) 2.141 22.705 ( 0.000 0.008 -0.000) 0.008 ======================= Grid point 33 (19/260) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 0.000 22.087 0.000) 22.087 1.773 ( 0.000 20.351 0.000) 20.351 2.817 ( 0.000 37.646 0.000) 37.646 3.170 ( 0.000 -6.186 0.000) 6.186 3.227 ( 0.000 -15.603 0.000) 15.603 4.004 ( 0.000 14.772 0.000) 14.772 4.562 ( 0.000 4.562 0.000) 4.562 4.689 ( 0.000 -5.622 0.000) 5.622 5.004 ( 0.000 6.593 0.000) 6.593 5.741 ( 0.000 12.307 0.000) 12.307 6.101 ( 0.000 -20.245 0.000) 20.245 6.281 ( 0.000 13.072 0.000) 13.072 6.435 ( 0.000 13.399 0.000) 13.399 7.622 ( 0.000 -12.893 0.000) 12.893 8.364 ( 0.000 10.354 0.000) 10.354 8.710 ( 0.000 -3.219 0.000) 3.219 8.990 ( 0.000 -4.002 0.000) 4.002 9.014 ( 0.000 -11.533 0.000) 11.533 10.324 ( 0.000 11.675 0.000) 11.675 11.040 ( 0.000 -4.108 0.000) 4.108 11.577 ( 0.000 19.725 0.000) 19.725 12.983 ( 0.000 -6.853 0.000) 6.853 13.224 ( 0.000 8.930 0.000) 8.930 13.231 ( 0.000 -1.683 0.000) 1.683 13.892 ( 0.000 -6.917 0.000) 6.917 14.572 ( 0.000 -7.510 0.000) 7.510 15.124 ( 0.000 -5.372 0.000) 5.372 16.092 ( 0.000 1.563 0.000) 1.563 16.826 ( 0.000 6.812 0.000) 6.812 17.807 ( 0.000 -4.043 0.000) 4.043 18.771 ( 0.000 -0.773 0.000) 0.773 18.954 ( 0.000 -1.112 0.000) 1.112 19.362 ( 0.000 1.178 0.000) 1.178 19.470 ( 0.000 -0.807 0.000) 0.807 21.626 ( 0.000 10.743 0.000) 10.743 22.700 ( 0.000 -8.343 0.000) 8.343 ======================= Grid point 34 (20/260) ======================= q-point: ( 0.10 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 8.930 18.890 2.444) 21.037 1.682 ( -5.606 24.625 3.051) 25.439 2.914 ( 8.493 21.241 1.602) 22.932 3.174 ( -0.225 -5.880 -3.874) 7.045 3.321 ( 7.674 -9.695 0.142) 12.366 4.016 ( 1.883 14.306 1.936) 14.559 4.582 ( -3.393 -1.690 -1.487) 4.072 4.642 ( 2.206 1.827 3.292) 4.364 5.119 ( 9.090 6.236 -0.053) 11.024 5.688 ( -4.977 6.313 -4.746) 9.335 6.095 ( -0.667 -9.108 6.941) 11.471 6.283 ( -0.418 9.211 -3.191) 9.757 6.577 ( 13.682 9.122 -3.054) 16.725 7.599 ( -2.588 -11.659 -0.061) 11.943 8.164 ( -16.472 4.895 1.721) 17.270 8.470 ( -17.320 -7.324 0.940) 18.828 8.919 ( -2.376 3.415 -6.198) 7.465 9.255 ( 11.505 -6.654 2.931) 13.610 10.385 ( 5.104 11.721 -4.436) 13.532 10.986 ( -3.962 -0.900 -0.613) 4.108 11.691 ( 9.564 18.327 8.098) 22.202 12.914 ( -5.653 2.233 0.709) 6.120 13.198 ( 2.139 -3.953 1.465) 4.727 13.381 ( 8.712 1.396 -0.218) 8.826 13.904 ( 0.985 -6.653 1.472) 6.885 14.562 ( -1.270 -7.057 -4.345) 8.384 14.932 ( -16.746 -1.246 8.441) 18.794 15.887 ( -16.429 1.594 -0.118) 16.507 16.859 ( 2.837 7.219 -0.302) 7.763 17.784 ( -3.494 -2.665 -1.488) 4.639 18.402 ( -29.125 0.657 0.645) 29.140 18.819 ( -3.831 -7.276 3.961) 9.127 19.360 ( 2.980 3.738 -17.698) 18.332 19.894 ( 22.376 -4.985 11.297) 25.557 21.804 ( 15.007 6.621 -1.755) 16.496 22.714 ( 1.219 -7.354 -0.745) 7.491 ======================= Grid point 35 (21/260) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -0.888 19.159 2.292) 19.316 1.835 ( 14.622 14.591 3.436) 20.941 3.073 ( 1.799 -3.636 4.450) 6.022 3.210 ( 8.215 -0.892 -7.130) 10.914 3.444 ( 2.774 -2.544 -0.203) 3.770 4.114 ( 7.299 7.968 5.842) 12.284 4.478 ( -3.293 -0.836 -2.176) 4.035 4.757 ( 6.254 5.549 3.142) 8.931 5.300 ( 6.668 5.151 -1.408) 8.543 5.571 ( -4.464 2.547 -4.148) 6.604 6.073 ( -1.597 4.694 7.578) 9.056 6.255 ( -2.131 4.105 -4.335) 6.339 6.924 ( 16.656 2.063 -4.493) 17.374 7.497 ( -7.214 -8.346 -3.183) 11.482 7.811 ( -15.495 -0.545 6.921) 16.979 8.135 ( -13.279 -7.817 -0.069) 15.409 8.828 ( -6.460 11.555 -4.311) 13.922 9.407 ( 2.515 -6.774 -0.878) 7.279 10.492 ( 4.780 14.345 -5.631) 16.135 10.923 ( -1.629 4.462 1.524) 4.988 11.915 ( 11.071 18.359 9.982) 23.649 12.803 ( -4.346 6.438 1.342) 7.883 13.275 ( 4.502 -3.884 0.918) 6.016 13.567 ( 9.110 -5.190 1.695) 10.621 13.916 ( -0.474 -5.927 1.316) 6.090 14.464 ( -10.607 2.490 0.021) 10.896 14.620 ( -8.232 -8.340 -0.732) 11.741 15.523 ( -18.199 -4.861 4.835) 19.448 16.923 ( 2.820 6.648 -2.644) 7.691 17.618 ( -13.504 -1.576 -3.401) 14.015 17.888 ( -17.143 8.969 -1.975) 19.448 18.744 ( -4.616 -4.933 13.700) 15.275 19.425 ( 3.512 -3.690 -18.611) 19.295 20.244 ( 11.641 -9.828 7.619) 17.034 22.125 ( 14.344 1.699 -1.417) 14.514 22.738 ( 0.825 -5.128 -1.201) 5.331 ======================= Grid point 36 (22/260) ======================= q-point: ( 0.30 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 8.589 5.513 0.073) 10.206 2.118 ( 11.320 4.759 2.510) 12.534 3.030 ( -2.864 -7.141 0.398) 7.704 3.402 ( -0.428 7.283 -0.498) 7.312 3.488 ( 10.612 -10.718 -2.174) 15.239 4.213 ( 0.292 -7.886 8.095) 11.305 4.540 ( 9.539 8.164 -3.413) 13.011 4.858 ( 2.939 5.118 3.773) 7.005 5.328 ( -1.995 0.678 -8.049) 8.320 5.575 ( 3.102 7.923 2.512) 8.872 6.038 ( -1.592 9.684 4.680) 10.872 6.200 ( -3.150 3.444 -4.159) 6.251 7.024 ( -7.589 1.172 -0.047) 7.679 7.337 ( -11.063 -5.537 2.040) 12.538 7.702 ( 8.256 -7.022 -6.945) 12.873 7.987 ( 0.087 -1.802 6.571) 6.814 8.666 ( -8.739 13.032 -3.865) 16.160 9.352 ( -7.440 -8.954 -2.273) 11.861 10.569 ( 2.798 17.252 -4.647) 18.085 10.920 ( 0.912 10.244 2.828) 10.667 12.115 ( 7.639 19.247 7.638) 22.071 12.763 ( 0.828 5.834 1.890) 6.189 13.362 ( 3.675 -0.600 1.726) 4.104 13.732 ( 6.049 -9.879 4.207) 12.324 13.860 ( -5.030 -6.172 -2.186) 8.256 14.276 ( -4.562 -0.624 -0.711) 4.659 14.522 ( -3.793 -12.664 -5.223) 14.214 15.171 ( -15.354 -9.916 7.660) 19.818 16.939 ( -1.880 3.618 -3.951) 5.678 17.305 ( -13.786 1.593 -4.947) 14.733 17.721 ( -0.794 17.350 1.737) 17.454 18.607 ( -9.134 8.319 10.846) 16.440 19.503 ( 4.390 -15.593 -13.754) 21.251 20.398 ( 3.999 -15.470 5.769) 16.988 22.360 ( 8.587 -0.134 -0.694) 8.616 22.740 ( -0.596 -2.931 -1.022) 3.161 ======================= Grid point 37 (23/260) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 12.126 -8.255 -1.692) 14.766 2.241 ( -0.143 -8.308 1.879) 8.520 3.020 ( 2.574 1.075 -0.597) 2.853 3.309 ( -5.847 7.809 2.099) 9.979 3.754 ( 12.551 -12.916 -4.066) 18.464 4.163 ( -4.643 -12.419 5.510) 14.357 4.745 ( 7.777 5.310 0.818) 9.453 4.887 ( 0.685 3.097 1.936) 3.716 5.309 ( 0.730 3.358 -8.571) 9.234 5.613 ( 0.397 7.291 4.462) 8.558 6.016 ( -0.700 8.913 0.618) 8.962 6.123 ( -4.238 5.571 -1.948) 7.266 6.865 ( -4.415 2.109 1.625) 5.155 7.087 ( -11.189 -3.449 1.796) 11.846 7.836 ( 3.081 4.141 -1.373) 5.341 8.191 ( 15.001 -1.901 -2.810) 15.380 8.503 ( -5.297 6.118 1.526) 8.235 9.129 ( -13.293 -10.292 -2.443) 16.988 10.612 ( 1.608 17.092 -2.590) 17.362 10.941 ( 0.719 14.850 2.081) 15.013 12.220 ( 2.785 18.264 3.627) 18.828 12.830 ( 4.731 6.230 1.710) 8.008 13.422 ( 2.552 0.924 4.388) 5.159 13.697 ( -8.428 -10.650 -3.490) 14.022 13.828 ( 1.953 -9.414 1.081) 9.675 14.282 ( 3.935 -8.066 -4.342) 9.970 14.447 ( -3.382 -11.846 -0.639) 12.336 14.919 ( -9.010 -10.920 5.432) 15.164 16.871 ( -3.298 2.392 -2.845) 4.969 17.086 ( -7.546 3.431 -2.250) 8.590 17.814 ( 8.556 22.105 0.021) 23.703 18.384 ( -12.066 17.972 6.638) 22.642 19.588 ( 3.512 -21.493 -7.344) 22.983 20.440 ( 0.581 -20.508 3.587) 20.828 22.486 ( 3.959 -1.320 -0.360) 4.189 22.719 ( -1.142 -1.091 -0.433) 1.637 ======================= Grid point 38 (24/260) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( -0.000 -15.809 0.000) 15.809 2.174 ( 0.000 -12.134 -0.000) 12.134 3.084 ( -0.000 5.669 0.000) 5.669 3.219 ( 0.000 8.609 0.000) 8.609 3.936 ( 0.000 -13.228 -0.000) 13.228 4.065 ( -0.000 -14.748 0.000) 14.748 4.819 ( -0.000 4.586 0.000) 4.586 4.900 ( 0.000 1.652 0.000) 1.652 5.328 ( 0.000 4.078 0.000) 4.078 5.613 ( 0.000 6.331 -0.000) 6.331 6.013 ( -0.000 6.960 -0.000) 6.960 6.060 ( 0.000 7.755 0.000) 7.755 6.854 ( -0.000 1.365 0.000) 1.365 6.939 ( 0.000 -0.556 -0.000) 0.556 7.871 ( 0.000 11.094 0.000) 11.094 8.318 ( 0.000 11.932 -0.000) 11.932 8.543 ( -0.000 -13.498 0.000) 13.498 8.919 ( 0.000 -9.741 0.000) 9.741 10.630 ( 0.000 16.243 0.000) 16.243 10.948 ( 0.000 16.678 0.000) 16.678 12.247 ( 0.000 17.283 0.000) 17.283 12.893 ( 0.000 7.303 -0.000) 7.303 13.481 ( 0.000 2.367 -0.000) 2.367 13.556 ( 0.000 -12.721 0.000) 12.721 13.851 ( 0.000 -10.812 -0.000) 10.812 14.366 ( 0.000 -13.445 -0.000) 13.445 14.382 ( 0.000 -8.173 0.000) 8.173 14.821 ( 0.000 -10.889 -0.000) 10.889 16.835 ( 0.000 2.137 -0.000) 2.137 17.004 ( 0.000 4.316 -0.000) 4.316 17.967 ( -0.000 22.760 0.000) 22.760 18.198 ( 0.000 21.456 0.000) 21.456 19.626 ( 0.000 -22.596 -0.000) 22.596 20.443 ( 0.000 -22.659 0.000) 22.659 22.527 ( 0.000 -2.182 0.000) 2.182 22.705 ( 0.000 -0.044 -0.000) 0.044 ======================= Grid point 44 (25/260) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 0.000 12.970 0.000) 12.970 2.032 ( 0.000 5.285 0.000) 5.285 2.972 ( 0.000 -7.138 0.000) 7.138 3.076 ( 0.000 -4.043 0.000) 4.043 3.445 ( 0.000 25.370 0.000) 25.370 3.988 ( 0.000 -13.314 0.000) 13.314 4.624 ( 0.000 1.684 0.000) 1.684 4.809 ( 0.000 12.623 0.000) 12.623 5.093 ( 0.000 2.383 0.000) 2.383 5.718 ( 0.000 -15.605 0.000) 15.605 5.920 ( 0.000 5.150 0.000) 5.150 6.468 ( 0.000 5.381 0.000) 5.381 6.659 ( 0.000 7.795 0.000) 7.795 7.394 ( 0.000 -8.362 0.000) 8.362 8.548 ( 0.000 7.949 0.000) 7.949 8.674 ( 0.000 -0.672 0.000) 0.672 8.807 ( 0.000 -8.730 0.000) 8.730 8.922 ( 0.000 -2.274 0.000) 2.274 10.544 ( 0.000 8.786 0.000) 8.786 10.934 ( 0.000 -5.440 0.000) 5.440 11.945 ( 0.000 14.974 0.000) 14.974 12.707 ( 0.000 -13.778 0.000) 13.778 13.310 ( 0.000 4.038 0.000) 4.038 13.360 ( 0.000 4.118 0.000) 4.118 13.796 ( 0.000 -2.691 0.000) 2.691 14.454 ( 0.000 -3.656 0.000) 3.656 15.033 ( 0.000 -2.973 0.000) 2.973 16.117 ( 0.000 0.730 0.000) 0.730 16.930 ( 0.000 3.163 0.000) 3.163 17.742 ( 0.000 -2.090 0.000) 2.090 18.761 ( 0.000 -0.275 0.000) 0.275 18.939 ( 0.000 -0.388 0.000) 0.388 19.377 ( 0.000 0.406 0.000) 0.406 19.459 ( 0.000 -0.302 0.000) 0.302 21.801 ( 0.000 5.808 0.000) 5.808 22.558 ( 0.000 -4.878 0.000) 4.878 ======================= Grid point 45 (26/260) ======================= q-point: ( 0.10 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 3.868 10.115 1.588) 10.945 2.039 ( 0.790 10.294 1.440) 10.425 2.962 ( -0.129 -6.428 0.457) 6.445 3.034 ( -2.891 -4.711 0.513) 5.552 3.512 ( 4.952 17.613 0.801) 18.313 4.000 ( 1.321 -11.397 -0.288) 11.477 4.675 ( 3.394 3.841 1.438) 5.324 4.747 ( -2.873 9.847 3.211) 10.748 5.209 ( 8.384 2.825 -2.875) 9.303 5.605 ( -6.696 -10.472 -4.701) 13.288 6.016 ( 5.964 1.384 3.142) 6.881 6.449 ( -2.236 4.941 0.431) 5.440 6.759 ( 9.507 7.108 -2.749) 12.185 7.392 ( -0.539 -7.666 -0.148) 7.686 8.241 ( -20.297 3.208 4.735) 21.087 8.347 ( -20.439 -4.723 -2.498) 21.126 8.976 ( 6.908 1.989 -8.036) 10.782 9.152 ( 11.604 -3.344 5.271) 13.177 10.589 ( 4.299 7.607 -2.246) 9.022 10.931 ( 0.210 -3.521 -2.274) 4.197 12.039 ( 8.328 14.306 7.407) 18.135 12.752 ( 4.036 -12.013 -0.581) 12.687 13.251 ( -3.292 5.987 1.496) 6.994 13.407 ( 2.388 -0.691 3.957) 4.673 13.828 ( 2.735 -1.464 -2.840) 4.206 14.444 ( -1.001 -3.832 -4.788) 6.214 14.883 ( -13.731 -2.167 7.706) 15.894 15.920 ( -17.605 1.178 2.175) 17.778 16.967 ( 2.802 3.178 1.448) 4.478 17.743 ( -1.244 -1.291 -2.375) 2.976 18.421 ( -24.188 0.956 0.595) 24.214 18.700 ( -12.068 -3.824 -2.013) 12.818 19.437 ( 4.568 2.808 -19.670) 20.387 19.817 ( 18.817 -2.459 17.544) 25.844 21.921 ( 10.444 4.035 -0.585) 11.212 22.591 ( 2.948 -4.103 -1.551) 5.285 ======================= Grid point 46 (27/260) ======================= q-point: ( 0.20 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -2.022 9.963 1.613) 10.294 2.092 ( 3.882 9.404 2.046) 10.377 2.950 ( -1.291 -5.216 3.815) 6.590 3.050 ( 5.873 -8.497 -3.125) 10.791 3.597 ( 2.696 10.522 2.549) 11.157 4.030 ( 0.704 -9.480 -0.804) 9.540 4.664 ( -0.168 12.142 2.419) 12.382 4.818 ( 5.318 -0.027 2.490) 5.872 5.309 ( 0.157 -3.060 -2.790) 4.144 5.575 ( 4.941 -0.276 -3.516) 6.071 6.120 ( 3.865 1.634 2.327) 4.798 6.375 ( -4.632 4.303 -0.530) 6.344 7.006 ( 12.430 4.401 -5.341) 14.227 7.347 ( -4.134 -5.748 -1.137) 7.171 7.811 ( -20.674 0.464 9.447) 22.735 8.005 ( -10.163 -4.387 -3.293) 11.548 9.022 ( -1.975 7.338 -6.374) 9.919 9.278 ( 0.047 -5.613 1.729) 5.873 10.707 ( 6.602 6.764 -3.869) 10.214 10.961 ( 2.998 -0.008 -1.049) 3.176 12.245 ( 10.448 12.799 10.486) 19.569 12.843 ( 3.893 -3.708 -2.149) 5.790 13.219 ( 1.093 1.960 3.124) 3.846 13.439 ( 0.659 -6.680 6.194) 9.133 13.886 ( 2.382 0.740 -4.094) 4.794 14.410 ( -2.324 -4.335 -8.379) 9.716 14.540 ( -17.644 -0.936 8.756) 19.719 15.480 ( -23.242 -0.441 6.419) 24.116 17.011 ( 0.723 2.225 -1.045) 2.562 17.595 ( -13.337 -0.646 -3.696) 13.855 18.096 ( -5.553 10.609 -9.977) 15.586 18.533 ( -3.527 -12.118 13.470) 18.459 19.469 ( -1.400 4.065 -19.322) 19.794 20.085 ( 6.975 -5.426 13.325) 15.989 22.162 ( 11.641 1.438 -0.363) 11.735 22.656 ( 2.883 -2.564 -2.313) 4.498 ======================= Grid point 47 (28/260) ======================= q-point: ( 0.30 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( -2.205 9.389 1.324) 9.735 2.127 ( -1.400 -3.774 1.295) 4.228 2.982 ( 4.929 3.064 2.348) 6.261 3.222 ( 9.803 -11.620 -3.403) 15.578 3.616 ( -0.749 10.055 3.867) 10.799 4.000 ( -3.737 -10.878 0.269) 11.505 4.725 ( 5.471 8.199 -0.011) 9.857 4.889 ( 1.576 -1.795 4.077) 4.725 5.316 ( 1.827 -0.813 -6.825) 7.112 5.687 ( 3.776 3.109 2.485) 5.486 6.169 ( 0.617 3.524 2.894) 4.602 6.278 ( -4.247 2.904 -4.923) 7.121 7.075 ( -6.664 3.085 -2.339) 7.707 7.234 ( -10.898 -4.327 4.696) 12.631 7.604 ( 7.675 -2.715 -5.498) 9.824 7.950 ( 3.641 -1.347 6.176) 7.295 8.911 ( -8.266 10.974 -5.874) 14.942 9.170 ( -9.611 -9.146 -0.007) 13.267 10.818 ( 3.605 7.261 -4.684) 9.362 11.051 ( 5.302 3.134 1.495) 6.338 12.426 ( 6.244 9.999 9.586) 15.194 12.895 ( 1.581 7.037 -2.775) 7.728 13.300 ( 5.223 -4.386 4.924) 8.412 13.447 ( 0.866 -11.479 5.644) 12.821 13.891 ( -2.588 2.524 -4.041) 5.422 14.237 ( -9.598 -3.090 2.280) 10.337 14.359 ( -3.023 -2.757 -7.391) 8.447 15.041 ( -18.561 -3.478 7.970) 20.497 16.980 ( -3.461 0.905 -2.945) 4.634 17.315 ( -12.022 0.010 -5.803) 13.349 18.105 ( 4.893 19.909 -3.154) 20.743 18.543 ( 2.846 -13.891 14.414) 20.219 19.386 ( -5.761 1.864 -18.875) 19.823 20.139 ( -0.849 -9.081 10.622) 14.000 22.361 ( 7.414 0.117 -0.094) 7.415 22.696 ( 1.013 -1.282 -1.947) 2.541 ======================= Grid point 48 (29/260) ======================= q-point: ( 0.40 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 0.877 0.753 0.511) 1.264 2.053 ( -4.642 -8.257 0.941) 9.518 3.125 ( 7.664 7.918 0.248) 11.022 3.398 ( 5.293 -5.158 -2.424) 7.778 3.600 ( 1.149 4.500 2.135) 5.112 3.888 ( -6.746 -13.718 1.969) 15.414 4.838 ( 4.219 3.390 -0.038) 5.412 4.915 ( 1.458 -0.047 2.787) 3.146 5.366 ( 2.508 1.759 -8.318) 8.864 5.713 ( -0.718 2.659 5.935) 6.543 6.142 ( -2.542 3.477 -0.316) 4.318 6.210 ( -2.618 2.684 -2.723) 4.633 6.927 ( -5.443 3.960 2.045) 7.035 7.010 ( -7.762 -4.254 1.228) 8.936 7.886 ( 14.409 1.200 -6.873) 16.010 8.113 ( 11.328 -2.985 7.483) 13.900 8.702 ( -11.318 11.294 -2.659) 16.208 8.926 ( -12.934 -10.491 -1.976) 16.771 10.858 ( 0.804 6.989 -2.625) 7.509 11.148 ( 3.437 5.668 1.294) 6.754 12.503 ( 1.697 8.303 5.571) 10.141 12.910 ( -0.428 3.496 -1.542) 3.845 13.359 ( 1.156 -6.324 7.248) 9.688 13.533 ( 6.744 -4.262 0.459) 7.992 13.798 ( -5.382 2.398 -3.163) 6.687 14.143 ( -0.853 -4.164 -1.301) 4.445 14.298 ( -2.745 -3.589 -5.053) 6.778 14.744 ( -10.244 -5.842 6.026) 13.243 16.901 ( -3.310 0.755 -2.386) 4.150 17.122 ( -6.559 0.706 -3.143) 7.307 18.255 ( 8.733 21.026 -3.838) 23.089 18.591 ( 0.307 -1.609 15.825) 15.909 19.263 ( -4.842 -7.897 -16.012) 18.499 20.095 ( -2.681 -12.000 6.750) 14.026 22.466 ( 3.007 -0.603 -0.095) 3.068 22.704 ( 0.049 -0.395 -0.940) 1.021 ======================= Grid point 49 (30/260) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 0.000 -6.656 0.000) 6.656 1.991 ( 0.000 -5.370 -0.000) 5.370 3.228 ( -0.000 7.205 0.000) 7.205 3.416 ( 0.000 10.582 0.000) 10.582 3.682 ( 0.000 -10.377 -0.000) 10.377 3.766 ( -0.000 -13.753 0.000) 13.753 4.879 ( -0.000 1.575 -0.000) 1.575 4.937 ( 0.000 1.297 0.000) 1.297 5.396 ( 0.000 2.110 0.000) 2.110 5.698 ( 0.000 2.261 -0.000) 2.261 6.109 ( 0.000 2.598 -0.000) 2.598 6.176 ( 0.000 3.356 0.000) 3.356 6.876 ( -0.000 0.691 -0.000) 0.691 6.931 ( 0.000 -0.205 0.000) 0.205 8.064 ( -0.000 8.416 0.000) 8.416 8.310 ( -0.000 -9.708 -0.000) 9.708 8.524 ( 0.000 8.610 -0.000) 8.610 8.746 ( 0.000 -7.687 0.000) 7.687 10.864 ( 0.000 6.669 -0.000) 6.669 11.183 ( 0.000 6.576 0.000) 6.576 12.519 ( 0.000 8.547 0.000) 8.547 12.896 ( 0.000 -2.408 -0.000) 2.408 13.378 ( 0.000 -4.901 -0.000) 4.901 13.654 ( -0.000 9.123 -0.000) 9.123 13.695 ( 0.000 -4.478 0.000) 4.478 14.148 ( 0.000 -7.067 -0.000) 7.067 14.261 ( 0.000 -3.967 0.000) 3.967 14.636 ( 0.000 -6.382 -0.000) 6.382 16.865 ( 0.000 0.799 -0.000) 0.799 17.053 ( 0.000 1.032 0.000) 1.032 18.381 ( -0.000 16.664 0.000) 16.664 18.567 ( 0.000 12.909 -0.000) 12.909 19.211 ( 0.000 -16.829 0.000) 16.829 20.063 ( 0.000 -13.067 -0.000) 13.067 22.495 ( 0.000 -0.921 0.000) 0.921 22.704 ( 0.000 -0.025 -0.000) 0.025 ======================= Grid point 99 (31/260) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( -5.447 0.000 27.163) 27.704 0.639 ( 14.424 0.000 32.016) 35.115 1.085 ( -6.091 0.000 53.681) 54.025 3.168 ( 0.167 0.000 3.269) 3.273 3.440 ( -3.572 0.000 12.814) 13.302 4.034 ( 2.253 0.000 -8.725) 9.011 4.250 ( 0.115 0.000 -13.520) 13.521 4.648 ( 7.195 0.000 -15.117) 16.742 4.911 ( 18.417 0.000 -1.473) 18.476 5.393 ( -2.740 0.000 5.919) 6.522 5.758 ( -0.474 0.000 19.343) 19.349 6.117 ( -35.525 0.000 2.942) 35.647 6.772 ( 0.195 0.000 7.268) 7.271 7.860 ( 0.067 0.000 -2.136) 2.137 8.054 ( 0.678 0.000 -2.688) 2.772 8.726 ( 0.522 0.000 -2.829) 2.877 8.803 ( 8.147 0.000 -10.956) 13.653 8.943 ( -6.059 0.000 -13.627) 14.913 9.688 ( -0.712 0.000 11.701) 11.723 10.996 ( -1.195 0.000 -5.378) 5.509 12.615 ( -2.080 0.000 -2.747) 3.445 12.830 ( -20.657 0.000 9.709) 22.825 13.138 ( -1.440 0.000 -1.974) 2.443 13.630 ( -4.861 0.000 2.856) 5.638 13.893 ( 66.690 0.000 0.460) 66.691 14.474 ( 14.848 0.000 -0.814) 14.870 14.895 ( 2.040 0.000 1.340) 2.441 15.428 ( -53.721 0.000 1.522) 53.743 16.475 ( -1.743 0.000 -7.317) 7.521 17.949 ( -0.169 0.000 -0.599) 0.622 18.424 ( 2.739 0.000 -31.713) 31.831 18.978 ( 11.777 0.000 -6.426) 13.416 19.665 ( -0.174 0.000 25.839) 25.839 20.467 ( -9.933 0.000 10.971) 14.800 21.320 ( -1.923 0.000 -0.517) 1.991 22.937 ( 0.588 0.000 -3.997) 4.040 ======================= Grid point 100 (32/260) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 26.419 0.000 14.283) 30.032 0.883 ( 17.962 0.000 22.743) 28.981 1.631 ( 42.030 0.000 32.386) 53.060 3.170 ( -0.060 0.000 4.042) 4.042 3.385 ( -1.007 0.000 8.563) 8.622 4.114 ( 3.431 0.000 -16.399) 16.754 4.275 ( 4.076 0.000 -0.450) 4.100 4.627 ( -2.777 0.000 -6.886) 7.425 4.982 ( 0.888 0.000 -0.776) 1.179 5.271 ( -7.798 0.000 10.791) 13.314 5.727 ( -3.242 0.000 14.509) 14.867 6.573 ( 41.806 0.000 -29.850) 51.369 6.733 ( -4.100 0.000 7.892) 8.893 7.826 ( -3.486 0.000 -1.769) 3.909 7.980 ( -7.893 0.000 -0.548) 7.912 8.575 ( -12.697 0.000 1.346) 12.768 8.771 ( -7.103 0.000 -5.249) 8.832 8.993 ( 7.393 0.000 -11.565) 13.726 9.682 ( 0.264 0.000 8.749) 8.753 10.891 ( -9.637 0.000 -4.214) 10.518 11.929 ( -32.310 0.000 44.991) 55.391 12.763 ( 3.625 0.000 3.007) 4.710 13.048 ( -8.628 0.000 0.101) 8.628 13.511 ( 1.376 0.000 6.241) 6.391 14.100 ( -4.081 0.000 10.180) 10.967 14.408 ( -1.352 0.000 0.221) 1.370 14.907 ( -0.473 0.000 3.104) 3.140 15.572 ( 21.401 0.000 -19.600) 29.021 16.457 ( -0.607 0.000 -8.875) 8.896 17.877 ( -7.105 0.000 0.205) 7.108 18.194 ( -20.714 0.000 -19.234) 28.267 19.064 ( -14.929 0.000 -3.266) 15.282 19.756 ( 14.156 0.000 17.754) 22.706 20.490 ( 10.856 0.000 0.879) 10.891 21.814 ( 24.482 0.000 -19.195) 31.110 22.937 ( -0.653 0.000 -3.445) 3.506 ======================= Grid point 101 (33/260) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 26.159 0.000 5.478) 26.726 1.410 ( 30.739 0.000 7.200) 31.571 2.534 ( 43.416 0.000 16.784) 46.548 3.160 ( -1.180 0.000 4.193) 4.355 3.398 ( 1.726 0.000 3.846) 4.216 4.129 ( -0.838 0.000 -20.915) 20.932 4.392 ( 5.052 0.000 0.338) 5.063 4.692 ( 9.142 0.000 -1.652) 9.290 5.048 ( 4.416 0.000 -4.059) 5.998 5.100 ( -8.233 0.000 14.209) 16.422 5.651 ( -3.804 0.000 9.955) 10.657 6.608 ( -8.162 0.000 9.127) 12.244 7.210 ( 20.610 0.000 -24.590) 32.085 7.712 ( -8.455 0.000 -1.604) 8.605 7.752 ( -12.498 0.000 4.719) 13.359 8.257 ( -18.044 0.000 -1.316) 18.092 8.658 ( -1.950 0.000 1.692) 2.581 9.156 ( 8.759 0.000 -7.713) 11.671 9.707 ( 1.797 0.000 4.734) 5.064 10.637 ( -13.578 0.000 -0.172) 13.579 11.618 ( -4.506 0.000 28.058) 28.418 12.685 ( -11.565 0.000 1.631) 11.679 13.025 ( 8.379 0.000 0.416) 8.389 13.666 ( 10.989 0.000 0.759) 11.015 14.130 ( 4.697 0.000 7.331) 8.707 14.413 ( 0.715 0.000 -4.307) 4.366 14.930 ( 1.878 0.000 1.976) 2.726 15.846 ( 9.034 0.000 -13.324) 16.098 16.427 ( -2.594 0.000 -8.273) 8.670 17.655 ( -19.071 0.000 -1.614) 19.139 17.697 ( -20.583 0.000 -5.456) 21.294 18.597 ( -25.877 0.000 4.035) 26.190 20.076 ( 13.961 0.000 6.637) 15.458 20.768 ( 14.378 0.000 -1.034) 14.415 22.145 ( 10.791 0.000 -12.183) 16.275 22.907 ( -2.292 0.000 -3.028) 3.798 ======================= Grid point 102 (34/260) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 24.915 0.000 -0.798) 24.927 2.031 ( 28.902 0.000 4.894) 29.314 3.092 ( -3.574 0.000 -0.412) 3.597 3.329 ( 19.537 0.000 6.389) 20.555 3.470 ( 14.574 0.000 1.586) 14.660 4.106 ( -0.269 0.000 -17.269) 17.271 4.460 ( 1.327 0.000 -6.125) 6.267 4.848 ( -0.637 0.000 5.541) 5.578 5.046 ( 9.024 0.000 -1.080) 9.088 5.165 ( 6.884 0.000 9.201) 11.492 5.599 ( -0.872 0.000 6.893) 6.948 6.407 ( -11.365 0.000 10.869) 15.726 7.371 ( -8.208 0.000 -5.186) 9.709 7.448 ( -10.834 0.000 1.246) 10.906 7.567 ( -8.098 0.000 3.720) 8.912 7.886 ( -15.436 0.000 -6.230) 16.646 8.753 ( 11.534 0.000 1.524) 11.634 9.344 ( 9.373 0.000 -5.885) 11.067 9.739 ( 0.795 0.000 2.977) 3.081 10.355 ( -13.913 0.000 0.250) 13.915 11.607 ( 1.616 0.000 17.786) 17.859 12.428 ( -12.321 0.000 -2.205) 12.516 13.280 ( 15.551 0.000 0.161) 15.552 13.900 ( 10.780 0.000 -0.865) 10.815 14.246 ( 5.742 0.000 3.441) 6.694 14.428 ( 0.887 0.000 -7.819) 7.869 14.968 ( 1.633 0.000 3.217) 3.608 15.997 ( 5.514 0.000 -13.479) 14.564 16.308 ( -10.086 0.000 -2.789) 10.464 17.174 ( -18.756 0.000 2.788) 18.962 17.379 ( -15.774 0.000 -1.913) 15.889 18.085 ( -23.056 0.000 0.804) 23.070 20.305 ( 8.350 0.000 4.136) 9.318 21.040 ( 11.651 0.000 -0.168) 11.652 22.321 ( 7.307 0.000 -8.213) 10.993 22.842 ( -3.942 0.000 -3.226) 5.094 ======================= Grid point 103 (35/260) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 21.039 0.000 -2.172) 21.151 2.571 ( 22.320 0.000 3.138) 22.540 2.966 ( -7.238 0.000 -1.461) 7.384 3.316 ( -7.641 0.000 1.395) 7.767 3.920 ( 12.525 0.000 -9.042) 15.448 4.170 ( 7.390 0.000 -8.076) 10.947 4.403 ( -6.311 0.000 -5.944) 8.670 4.861 ( 3.983 0.000 -6.351) 7.496 5.229 ( 7.140 0.000 5.032) 8.735 5.392 ( 13.171 0.000 10.217) 16.669 5.634 ( 4.203 0.000 6.390) 7.649 6.153 ( -13.200 0.000 12.741) 18.346 7.102 ( -12.115 0.000 7.000) 13.992 7.173 ( -15.889 0.000 -0.093) 15.890 7.390 ( -8.840 0.000 5.510) 10.416 7.706 ( -2.590 0.000 -7.930) 8.343 9.081 ( 18.358 0.000 2.012) 18.468 9.520 ( 7.388 0.000 -4.603) 8.705 9.723 ( -2.743 0.000 1.450) 3.103 10.068 ( -13.702 0.000 0.366) 13.707 11.652 ( 1.665 0.000 12.903) 13.010 12.210 ( -8.036 0.000 -3.521) 8.774 13.622 ( 15.654 0.000 -2.621) 15.872 14.078 ( 6.174 0.000 -2.872) 6.809 14.344 ( 3.663 0.000 1.047) 3.810 14.470 ( 4.740 0.000 -11.411) 12.357 15.000 ( 1.375 0.000 5.161) 5.341 15.824 ( -23.399 0.000 -3.046) 23.596 16.231 ( 5.870 0.000 -4.067) 7.141 16.949 ( -7.819 0.000 3.353) 8.507 17.083 ( -8.948 0.000 -2.631) 9.327 17.685 ( -15.187 0.000 -3.399) 15.562 20.426 ( 3.586 0.000 2.933) 4.633 21.236 ( 7.325 0.000 1.903) 7.568 22.457 ( 6.136 0.000 -6.751) 9.123 22.746 ( -5.265 0.000 -4.212) 6.742 ======================= Grid point 104 (36/260) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( -9.548 0.000 -2.111) 9.778 2.777 ( 11.738 0.000 -3.635) 12.288 2.986 ( -4.692 0.000 -0.109) 4.693 3.173 ( 6.763 0.000 5.574) 8.764 4.049 ( 3.432 0.000 -8.901) 9.539 4.166 ( -7.148 0.000 -5.984) 9.323 4.324 ( -4.100 0.000 -9.500) 10.347 4.897 ( -1.778 0.000 -17.940) 18.028 5.397 ( 6.378 0.000 12.335) 13.887 5.593 ( 6.743 0.000 11.151) 13.031 5.664 ( -8.721 0.000 8.133) 11.925 5.972 ( 1.577 0.000 11.688) 11.794 6.916 ( -5.732 0.000 2.413) 6.219 6.974 ( 0.058 0.000 3.294) 3.294 7.266 ( -1.982 0.000 3.775) 4.264 7.739 ( 5.475 0.000 -2.749) 6.126 9.377 ( 2.811 0.000 6.998) 7.542 9.618 ( -0.103 0.000 -1.531) 1.535 9.662 ( 2.953 0.000 -3.559) 4.625 9.849 ( -4.562 0.000 -0.734) 4.620 11.642 ( -3.335 0.000 7.954) 8.625 12.134 ( 1.106 0.000 -1.839) 2.146 13.778 ( -1.960 0.000 -4.782) 5.168 14.131 ( -1.849 0.000 -4.500) 4.865 14.421 ( 3.343 0.000 1.307) 3.589 14.694 ( 16.846 0.000 -13.164) 21.380 15.010 ( -1.332 0.000 4.184) 4.390 15.350 ( -16.582 0.000 6.219) 17.710 16.342 ( 2.116 0.000 -9.455) 9.689 16.733 ( -8.330 0.000 -1.359) 8.440 17.098 ( 5.760 0.000 3.053) 6.519 17.496 ( -1.982 0.000 -6.497) 6.792 20.459 ( -0.356 0.000 2.245) 2.273 21.338 ( 2.523 0.000 4.419) 5.088 22.561 ( 2.125 0.000 -5.452) 5.852 22.641 ( -2.845 0.000 -6.294) 6.907 ======================= Grid point 105 (37/260) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -20.588 0.000 -6.294) 21.528 2.624 ( -22.037 0.000 4.061) 22.408 3.040 ( 9.633 0.000 -0.410) 9.642 3.432 ( 9.517 0.000 6.787) 11.689 3.978 ( -13.987 0.000 -7.850) 16.039 4.078 ( -7.573 0.000 -8.160) 11.133 4.155 ( -0.096 0.000 -9.096) 9.096 4.803 ( -6.740 0.000 -15.924) 17.292 5.312 ( -16.529 0.000 13.536) 21.364 5.415 ( -6.834 0.000 0.226) 6.838 5.721 ( 3.967 0.000 17.249) 17.700 6.138 ( 10.788 0.000 10.016) 14.721 6.972 ( 10.551 0.000 1.514) 10.659 7.120 ( 12.236 0.000 -2.895) 12.574 7.334 ( 8.528 0.000 2.198) 8.806 7.911 ( 10.654 0.000 0.708) 10.678 9.142 ( -18.287 0.000 3.258) 18.575 9.548 ( -7.270 0.000 -1.286) 7.382 9.714 ( 0.934 0.000 -0.104) 0.939 10.030 ( 16.856 0.000 1.367) 16.911 11.539 ( -5.888 0.000 5.292) 7.917 12.225 ( 6.556 0.000 -1.511) 6.728 13.615 ( -11.568 0.000 -0.544) 11.581 14.020 ( -7.741 0.000 -5.341) 9.405 14.426 ( -4.565 0.000 1.880) 4.937 14.681 ( -12.642 0.000 -0.375) 12.647 15.071 ( 1.739 0.000 4.064) 4.420 15.495 ( 29.487 0.000 -10.958) 31.457 16.274 ( -5.967 0.000 -5.973) 8.442 16.672 ( 0.569 0.000 -7.868) 7.889 17.261 ( 10.334 0.000 4.921) 11.446 17.612 ( 12.101 0.000 -6.688) 13.826 20.415 ( -3.934 0.000 2.160) 4.488 21.338 ( -2.746 0.000 6.902) 7.428 22.471 ( -6.624 0.000 -7.096) 9.708 22.701 ( 4.794 0.000 -5.897) 7.599 ======================= Grid point 106 (38/260) ======================= q-point: (-0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -25.838 0.000 -8.079) 27.072 2.117 ( -27.050 0.000 7.276) 28.011 3.174 ( 3.275 0.000 2.701) 4.245 3.333 ( -31.570 0.000 7.641) 32.482 3.563 ( -6.365 0.000 7.924) 10.164 4.116 ( 6.195 0.000 -22.629) 23.461 4.190 ( 2.186 0.000 -6.856) 7.196 4.625 ( -9.491 0.000 -9.273) 13.269 4.971 ( -15.185 0.000 6.926) 16.690 5.326 ( -1.448 0.000 -1.658) 2.201 5.757 ( 0.191 0.000 20.686) 20.687 6.371 ( 11.173 0.000 8.538) 14.062 7.269 ( 15.675 0.000 -1.164) 15.718 7.384 ( 12.889 0.000 -6.593) 14.477 7.598 ( 15.656 0.000 1.264) 15.707 8.148 ( 11.711 0.000 -0.780) 11.737 8.746 ( -18.978 0.000 1.635) 19.048 9.372 ( -9.068 0.000 -3.395) 9.683 9.721 ( -0.125 0.000 1.944) 1.948 10.389 ( 17.449 0.000 6.294) 18.549 11.428 ( -4.485 0.000 7.908) 9.091 12.367 ( 6.745 0.000 -4.215) 7.953 13.373 ( -10.853 0.000 5.434) 12.138 13.844 ( -8.885 0.000 -3.660) 9.609 14.194 ( -15.153 0.000 1.135) 15.195 14.524 ( -4.265 0.000 -2.515) 4.952 15.064 ( -1.604 0.000 5.544) 5.771 16.044 ( 8.429 0.000 -10.331) 13.334 16.271 ( 14.630 0.000 -5.275) 15.552 16.757 ( 12.271 0.000 -15.309) 19.620 17.514 ( 13.331 0.000 4.456) 14.056 17.933 ( 18.415 0.000 -5.865) 19.326 20.297 ( -7.700 0.000 2.982) 8.257 21.225 ( -8.412 0.000 9.093) 12.387 22.329 ( -7.071 0.000 -9.534) 11.870 22.793 ( 4.142 0.000 -5.254) 6.690 ======================= Grid point 107 (39/260) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -29.447 0.000 -7.159) 30.304 1.532 ( -29.578 0.000 11.022) 31.565 2.516 ( -43.197 0.000 22.792) 48.841 3.200 ( -0.701 0.000 2.242) 2.349 3.503 ( -1.783 0.000 9.099) 9.272 4.179 ( 0.362 0.000 -22.103) 22.106 4.212 ( -2.863 0.000 -6.486) 7.090 4.506 ( 0.362 0.000 -8.219) 8.227 4.714 ( -9.113 0.000 2.263) 9.390 5.350 ( 3.004 0.000 -1.768) 3.485 5.759 ( -0.119 0.000 23.044) 23.044 6.579 ( 8.599 0.000 7.504) 11.413 7.471 ( 1.913 0.000 -12.478) 12.624 7.689 ( 15.722 0.000 -3.427) 16.092 7.848 ( 4.286 0.000 -3.665) 5.639 8.349 ( 6.096 0.000 -12.882) 14.251 8.483 ( -0.311 0.000 11.055) 11.059 9.197 ( -7.473 0.000 -5.463) 9.257 9.714 ( -0.568 0.000 5.107) 5.138 10.740 ( 16.037 0.000 7.833) 17.847 11.406 ( 4.912 0.000 22.942) 23.462 12.485 ( 4.781 0.000 -6.719) 8.247 13.199 ( -6.083 0.000 7.073) 9.329 13.659 ( -9.676 0.000 1.065) 9.735 13.902 ( -11.949 0.000 -2.614) 12.232 14.444 ( -3.599 0.000 -1.529) 3.910 15.017 ( -3.015 0.000 4.008) 5.016 16.043 ( -1.479 0.000 -5.198) 5.404 16.474 ( 3.158 0.000 -4.023) 5.114 17.309 ( 35.505 0.000 -25.346) 43.623 17.773 ( 11.351 0.000 4.416) 12.180 18.339 ( 20.575 0.000 -5.847) 21.390 20.098 ( -11.773 0.000 5.301) 12.911 21.000 ( -13.404 0.000 11.179) 17.453 22.168 ( -9.213 0.000 -14.383) 17.081 22.867 ( 3.040 0.000 -4.808) 5.689 ======================= Grid point 108 (40/260) ======================= q-point: (-0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( -22.364 0.000 7.695) 23.651 0.934 ( -27.804 0.000 17.328) 32.762 1.652 ( -39.365 0.000 39.409) 55.702 3.175 ( -1.114 0.000 2.220) 2.484 3.481 ( -0.964 0.000 12.746) 12.782 4.071 ( -5.487 0.000 -9.398) 10.882 4.222 ( 2.259 0.000 -14.228) 14.406 4.507 ( -0.239 0.000 -1.180) 1.204 4.683 ( 5.516 0.000 -8.477) 10.113 5.406 ( 1.485 0.000 0.897) 1.735 5.762 ( -0.065 0.000 23.271) 23.272 6.717 ( 4.482 0.000 6.858) 8.193 7.148 ( -37.089 0.000 -32.659) 49.419 7.842 ( 0.655 0.000 -2.845) 2.919 7.954 ( 9.173 0.000 -3.154) 9.700 8.543 ( 13.088 0.000 -3.319) 13.502 8.631 ( 8.858 0.000 -1.982) 9.077 9.068 ( -5.483 0.000 -8.946) 10.493 9.701 ( -0.730 0.000 9.502) 9.530 10.966 ( 4.849 0.000 -3.101) 5.756 11.919 ( 53.911 0.000 61.289) 81.625 12.569 ( 4.030 0.000 -5.891) 7.137 13.122 ( -1.665 0.000 4.116) 4.440 13.415 ( -13.780 0.000 2.756) 14.053 13.736 ( -4.758 0.000 -1.577) 5.012 14.391 ( -0.965 0.000 0.339) 1.023 14.948 ( -3.532 0.000 2.047) 4.083 15.995 ( -5.577 0.000 -9.929) 11.388 16.502 ( 0.180 0.000 -4.399) 4.403 17.881 ( 10.332 0.000 -8.783) 13.561 18.075 ( 24.934 0.000 -19.312) 31.538 18.738 ( 16.999 0.000 -6.444) 18.179 19.826 ( -13.892 0.000 11.681) 18.151 20.706 ( -14.193 0.000 13.785) 19.785 21.867 ( -23.527 0.000 -24.684) 34.100 22.915 ( 1.731 0.000 -4.490) 4.812 ======================= Grid point 109 (41/260) ======================= q-point: ( 0.00 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 4.388 20.627 21.113) 29.841 0.927 ( 11.497 22.707 23.181) 34.426 1.404 ( -9.815 32.163 35.882) 49.176 3.278 ( -0.181 10.739 1.211) 10.809 3.437 ( -2.757 -0.343 13.398) 13.683 3.842 ( 1.733 -14.669 -7.499) 16.566 4.302 ( 0.752 1.937 -11.894) 12.074 4.665 ( 3.215 5.608 -0.510) 6.484 4.876 ( 8.305 0.367 -5.449) 9.939 5.463 ( -4.335 6.287 9.011) 11.811 5.807 ( 1.472 5.692 14.039) 15.220 6.110 ( -13.828 2.748 5.515) 15.138 6.734 ( -0.618 -6.050 5.946) 8.505 7.766 ( 1.642 -1.566 -7.320) 7.663 8.247 ( -0.888 4.786 9.416) 10.600 8.779 ( 6.742 -2.083 -10.424) 12.588 8.903 ( -13.773 -0.724 -14.126) 19.743 9.198 ( 8.430 29.723 -31.868) 44.386 9.627 ( -2.285 -5.465 10.791) 12.310 11.008 ( -1.400 0.897 -5.479) 5.725 11.964 ( 0.735 -33.438 41.962) 53.661 12.821 ( 5.105 3.336 1.037) 6.186 12.931 ( -2.604 3.890 5.570) 7.276 13.632 ( 1.275 -4.285 5.478) 7.071 14.252 ( 3.811 -4.889 -1.863) 6.473 14.771 ( 8.600 6.731 -13.757) 17.565 14.939 ( 33.078 13.027 -14.981) 38.578 15.585 ( -43.421 13.774 -12.032) 47.115 16.526 ( -1.331 4.963 -6.901) 8.604 17.927 ( -0.369 -2.222 -1.032) 2.478 18.398 ( 7.009 -2.244 -29.817) 30.711 18.895 ( 2.938 -6.599 -7.611) 10.493 19.641 ( -2.996 -1.689 26.272) 26.496 20.196 ( -2.468 -14.539 32.968) 36.116 21.298 ( -3.484 2.559 1.672) 4.635 22.909 ( 0.354 -3.218 -4.262) 5.352 ======================= Grid point 110 (42/260) ======================= q-point: ( 0.10 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 4.870 17.455 22.628) 28.990 1.105 ( 18.829 14.099 18.678) 30.036 1.874 ( 37.848 23.012 21.317) 49.157 3.266 ( -1.265 8.908 2.667) 9.384 3.390 ( -0.915 0.150 7.153) 7.213 3.933 ( 6.265 -12.964 -7.556) 16.261 4.323 ( 1.849 3.154 -7.701) 8.525 4.696 ( 0.831 4.734 -2.552) 5.442 4.994 ( 4.637 2.853 -2.928) 6.181 5.342 ( -7.619 6.110 10.624) 14.431 5.799 ( -2.681 7.275 10.712) 13.223 6.414 ( 31.025 -6.615 -7.823) 32.673 6.694 ( -2.676 -6.351 5.057) 8.548 7.738 ( -4.650 -2.105 -5.716) 7.663 8.183 ( -5.476 6.461 8.569) 12.048 8.554 ( -16.945 0.047 -11.352) 20.396 8.751 ( -9.301 -1.406 -2.399) 9.708 9.317 ( 5.590 22.626 -23.759) 33.282 9.647 ( 2.570 -2.006 8.612) 9.208 10.909 ( -8.268 1.556 -4.181) 9.395 11.802 ( -10.528 -6.700 38.232) 40.217 12.767 ( -2.014 2.480 4.948) 5.890 13.054 ( 4.823 2.585 -0.259) 5.478 13.643 ( 0.366 1.565 5.307) 5.545 14.289 ( -2.697 0.218 0.489) 2.750 14.438 ( -23.027 15.667 1.362) 27.884 14.898 ( -5.801 1.023 3.918) 7.074 15.580 ( 17.582 0.861 -20.167) 26.769 16.491 ( -1.481 3.592 -8.870) 9.684 17.857 ( -6.997 -1.997 -0.559) 7.297 18.176 ( -21.441 -1.899 -18.828) 28.597 19.030 ( -7.602 -3.592 -9.587) 12.752 19.638 ( 11.137 -10.422 22.399) 27.099 20.401 ( 14.750 -6.243 10.758) 19.295 21.665 ( 26.276 -7.703 -7.920) 28.505 22.906 ( -0.672 -3.304 -3.691) 4.999 ======================= Grid point 111 (43/260) ======================= q-point: ( 0.20 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 23.723 -1.384 9.077) 25.437 1.570 ( 24.522 8.627 11.214) 28.311 2.671 ( 37.393 12.114 9.917) 40.538 3.226 ( -2.463 5.619 3.077) 6.863 3.407 ( 2.066 0.887 2.714) 3.524 4.055 ( 5.018 -6.677 -14.171) 16.450 4.381 ( 3.932 1.701 -2.590) 5.006 4.751 ( 4.535 2.746 -0.842) 5.368 5.107 ( 6.511 6.716 -1.137) 9.423 5.173 ( -8.161 6.140 9.768) 14.132 5.726 ( -3.951 7.667 7.240) 11.261 6.553 ( -7.298 -5.362 9.105) 12.842 7.050 ( 23.754 -11.942 -13.592) 29.860 7.568 ( -11.314 -3.691 -3.008) 12.275 8.027 ( -9.482 11.030 6.456) 15.914 8.217 ( -17.229 -0.761 -3.274) 17.554 8.547 ( -6.083 -5.947 1.066) 8.574 9.436 ( 5.790 17.074 -14.037) 22.849 9.698 ( 2.228 2.511 4.825) 5.878 10.697 ( -11.357 5.414 -1.032) 12.624 11.684 ( -1.815 6.830 25.729) 26.682 12.698 ( -6.740 1.934 2.797) 7.549 13.121 ( 4.841 7.369 0.651) 8.841 13.710 ( 6.689 3.421 2.295) 7.856 14.160 ( 0.104 3.740 3.886) 5.394 14.350 ( 0.215 -6.055 -2.408) 6.520 14.880 ( 1.092 -4.883 1.421) 5.202 15.798 ( 6.067 -4.804 -10.009) 12.652 16.460 ( -1.691 3.503 -10.837) 11.514 17.619 ( -19.374 -2.928 -4.071) 20.012 17.704 ( -18.749 -0.005 -4.354) 19.248 18.647 ( -23.372 4.970 1.106) 23.921 19.950 ( 14.290 -12.630 7.120) 20.357 20.709 ( 14.409 -5.070 3.690) 15.714 22.083 ( 14.568 -4.540 -9.488) 17.968 22.878 ( -2.044 -2.937 -3.316) 4.879 ======================= Grid point 112 (44/260) ======================= q-point: ( 0.30 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 26.221 -7.870 0.010) 27.376 2.074 ( 23.737 2.735 8.642) 25.409 3.111 ( -3.108 2.099 -1.546) 4.056 3.321 ( 9.652 -1.639 2.975) 10.233 3.525 ( 17.447 4.191 0.047) 17.943 4.125 ( 2.417 1.149 -16.931) 17.141 4.470 ( 3.745 2.464 -2.944) 5.363 4.850 ( 3.906 -0.138 6.525) 7.606 5.060 ( -0.926 2.570 1.494) 3.113 5.264 ( 8.400 8.072 5.023) 12.686 5.667 ( -1.281 7.041 4.820) 8.628 6.371 ( -10.309 -3.487 10.653) 15.229 7.238 ( -10.123 -9.441 4.404) 14.526 7.401 ( -1.315 -0.724 -8.395) 8.528 7.811 ( -12.539 16.077 4.786) 20.943 7.855 ( -13.559 -3.014 -4.492) 14.598 8.596 ( 10.497 -10.425 3.061) 15.107 9.529 ( 2.500 6.682 -7.477) 10.334 9.745 ( 2.707 7.830 1.861) 8.491 10.467 ( -10.742 10.130 -0.292) 14.768 11.697 ( 1.955 9.043 17.144) 19.482 12.510 ( -10.126 7.760 -1.528) 12.849 13.306 ( 12.513 2.320 1.921) 12.871 13.876 ( 8.330 -1.806 -0.401) 8.533 14.231 ( 4.428 -1.634 2.138) 5.182 14.354 ( 0.769 -7.280 -7.003) 10.130 14.908 ( 1.378 -6.049 2.802) 6.807 15.844 ( -2.608 -12.943 -3.477) 13.653 16.404 ( -3.380 7.839 -11.746) 14.520 17.188 ( -16.680 1.057 0.835) 16.734 17.392 ( -14.244 1.434 -2.453) 14.525 18.169 ( -22.235 8.396 -0.585) 23.775 20.186 ( 8.720 -11.944 4.284) 15.397 20.972 ( 10.938 -6.417 2.830) 12.993 22.307 ( 8.449 -1.128 -7.731) 11.508 22.820 ( -3.530 -2.226 -3.477) 5.432 ======================= Grid point 113 (45/260) ======================= q-point: ( 0.40 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 22.246 -8.275 -3.440) 23.983 2.512 ( 16.944 -4.431 7.506) 19.055 2.996 ( -5.447 2.725 -3.267) 6.911 3.289 ( -7.477 -3.058 2.749) 8.533 3.920 ( 13.442 -1.363 -9.938) 16.772 4.165 ( 0.998 -0.060 -11.646) 11.689 4.490 ( -0.930 8.495 -5.167) 9.987 4.927 ( 3.130 5.702 -7.408) 9.858 5.144 ( 8.143 -7.077 10.940) 15.364 5.441 ( 8.341 4.120 7.683) 12.065 5.696 ( 3.993 6.309 4.964) 8.966 6.143 ( -11.828 -0.719 12.298) 17.078 7.001 ( -9.469 -5.816 6.227) 12.738 7.195 ( -15.703 0.752 1.242) 15.770 7.556 ( -10.386 12.599 4.705) 16.992 7.754 ( 0.704 5.180 -7.617) 9.238 8.909 ( 17.678 -12.536 3.769) 21.997 9.497 ( -5.577 -8.181 -1.846) 10.072 9.828 ( 5.105 15.512 -1.212) 16.376 10.262 ( -9.061 15.755 -1.072) 18.206 11.742 ( 1.492 9.023 12.351) 15.368 12.325 ( -6.973 11.259 -3.248) 13.636 13.592 ( 13.506 -3.026 -0.368) 13.845 14.012 ( 4.152 -6.233 -3.015) 8.073 14.284 ( 1.428 -6.093 1.158) 6.365 14.416 ( 5.655 -5.266 -10.456) 13.002 14.935 ( 1.117 -6.578 4.978) 8.325 15.627 ( -17.725 -15.437 3.337) 23.741 16.379 ( 2.234 10.855 -11.042) 15.644 16.962 ( -8.848 1.703 2.506) 9.352 17.168 ( -4.418 7.645 -3.858) 9.635 17.764 ( -16.476 8.282 -3.887) 18.845 20.317 ( 4.140 -10.910 3.440) 12.165 21.152 ( 6.418 -8.367 3.852) 11.227 22.452 ( 6.040 -0.481 -6.767) 9.083 22.734 ( -4.619 -1.173 -4.266) 6.397 ======================= Grid point 114 (46/260) ======================= q-point: (-0.50 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( -8.892 -4.760 -1.784) 10.243 2.666 ( 10.057 -10.265 -1.397) 14.438 3.006 ( -2.350 1.375 -0.240) 2.733 3.145 ( 4.562 -2.689 6.118) 8.091 4.078 ( 2.493 -1.216 -11.356) 11.690 4.103 ( -4.848 -0.329 -10.716) 11.766 4.460 ( -4.038 10.292 -6.500) 12.825 4.908 ( -3.872 0.021 -15.925) 16.389 5.339 ( 6.931 -4.025 11.947) 14.386 5.590 ( 4.920 0.027 13.128) 14.020 5.744 ( -4.236 6.663 6.085) 9.968 5.962 ( -0.524 0.352 11.274) 11.292 6.895 ( -3.614 -1.674 4.296) 5.858 6.959 ( -1.165 0.108 1.135) 1.630 7.413 ( -2.510 12.126 3.697) 12.924 7.826 ( 6.081 8.392 -2.839) 10.745 9.182 ( -0.757 -13.897 6.505) 15.363 9.386 ( 3.641 -13.322 -0.599) 13.824 9.912 ( 0.913 17.148 -0.200) 17.173 10.121 ( -2.674 19.484 -3.808) 20.032 11.730 ( -3.170 8.861 7.709) 12.166 12.255 ( 0.464 11.888 -2.298) 12.117 13.726 ( -2.544 -5.353 -3.800) 7.040 14.051 ( -0.343 -7.827 -3.257) 8.485 14.328 ( 2.560 -8.791 1.827) 9.337 14.614 ( 14.182 -7.628 -11.420) 19.741 14.929 ( -3.390 -7.931 5.242) 10.093 15.266 ( -12.352 -7.409 5.956) 15.586 16.453 ( 3.368 9.385 -11.709) 15.379 16.782 ( -6.569 4.921 -0.069) 8.208 17.202 ( 4.185 10.018 -0.073) 10.857 17.544 ( -2.772 5.262 -7.155) 9.304 20.363 ( 0.342 -9.568 3.278) 10.120 21.235 ( 1.614 -10.287 5.448) 11.752 22.544 ( 1.427 -1.450 -6.009) 6.344 22.649 ( -1.822 0.568 -5.589) 5.906 ======================= Grid point 115 (47/260) ======================= q-point: (-0.40 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -20.356 -3.463 -6.607) 21.680 2.540 ( -19.642 -7.620 8.203) 22.609 3.053 ( 8.560 1.091 -2.404) 8.957 3.366 ( 8.653 -6.536 6.893) 12.849 3.932 ( -10.467 -1.558 -10.752) 15.086 4.088 ( -4.785 0.309 -10.548) 11.586 4.315 ( -5.493 11.806 -8.429) 15.511 4.799 ( -6.686 0.091 -10.421) 12.381 5.333 ( -7.883 2.357 8.701) 11.975 5.484 ( -9.215 5.275 7.035) 12.737 5.730 ( 2.165 1.805 12.453) 12.768 6.106 ( 10.472 -1.871 9.056) 13.970 6.919 ( 7.911 -3.611 3.017) 9.204 7.116 ( 12.523 0.136 -2.793) 12.831 7.478 ( 8.601 11.111 0.527) 14.061 7.987 ( 9.074 7.740 1.818) 12.064 8.921 ( -17.579 -15.559 4.464) 23.896 9.585 ( 8.158 -9.488 2.276) 12.719 9.822 ( -7.106 20.675 -1.710) 21.929 10.209 ( 9.412 14.450 -1.281) 17.292 11.630 ( -5.979 9.070 5.047) 11.978 12.321 ( 5.062 9.454 -2.213) 10.950 13.565 ( -10.477 -4.773 0.282) 11.517 13.970 ( -6.960 -4.816 -4.564) 9.616 14.355 ( -0.987 -7.437 1.424) 7.637 14.636 ( -12.503 -4.284 1.317) 13.282 14.981 ( 6.034 -9.864 2.113) 11.755 15.309 ( 17.176 -13.457 -5.991) 22.627 16.486 ( 1.886 16.447 -10.161) 19.425 16.721 ( -0.562 5.238 -5.920) 7.925 17.295 ( 6.845 3.238 2.537) 7.986 17.676 ( 13.293 6.767 -7.429) 16.664 20.334 ( -3.180 -8.084 3.738) 9.458 21.218 ( -3.484 -11.805 7.113) 14.216 22.469 ( -6.085 -0.262 -6.686) 9.044 22.700 ( 4.323 -0.199 -5.590) 7.070 ======================= Grid point 116 (48/260) ======================= q-point: (-0.30 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( -26.386 -3.607 -7.559) 27.684 2.067 ( -25.336 -3.476 11.528) 28.052 3.193 ( 2.943 0.747 0.300) 3.052 3.341 ( -15.905 0.251 3.750) 16.343 3.607 ( -12.633 4.468 7.962) 15.587 4.039 ( 0.327 -6.709 -18.521) 19.702 4.281 ( 0.402 8.295 -11.851) 14.471 4.650 ( -6.267 2.829 -2.720) 7.394 5.087 ( -13.459 10.568 5.141) 17.867 5.394 ( -0.491 5.791 -1.045) 5.905 5.754 ( 0.385 0.441 16.833) 16.844 6.331 ( 10.640 -3.540 7.986) 13.767 7.164 ( 13.544 -6.620 1.984) 15.205 7.387 ( 12.083 -0.811 -8.409) 14.743 7.730 ( 14.431 9.040 -0.668) 17.042 8.178 ( 8.995 3.008 4.125) 10.343 8.557 ( -15.487 -12.432 3.253) 20.125 9.603 ( -6.705 9.735 -5.586) 13.074 9.743 ( 0.617 9.763 1.971) 9.979 10.455 ( 13.880 6.621 4.299) 15.967 11.512 ( -5.087 8.380 7.284) 12.213 12.429 ( 5.037 6.004 -4.248) 8.914 13.363 ( -8.303 -0.631 5.275) 9.857 13.801 ( -8.675 -3.456 -3.482) 9.966 14.237 ( -10.307 2.955 1.390) 10.812 14.437 ( -5.568 -8.326 -1.530) 10.132 15.016 ( -0.705 -5.023 5.314) 7.347 15.703 ( 15.445 -21.800 -7.016) 27.623 16.563 ( 2.230 16.988 -7.741) 18.801 16.813 ( 15.602 5.888 -15.786) 22.963 17.504 ( 12.433 -0.803 3.365) 12.906 18.005 ( 17.988 7.046 -6.788) 20.476 20.232 ( -6.933 -6.559 5.056) 10.801 21.092 ( -8.966 -12.688 8.886) 17.898 22.327 ( -7.797 -0.182 -7.965) 11.148 22.785 ( 3.835 -0.948 -5.062) 6.421 ======================= Grid point 117 (49/260) ======================= q-point: (-0.20 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -28.671 -1.402 -2.963) 28.858 1.538 ( -25.621 1.870 14.734) 29.615 2.698 ( -35.877 14.596 14.058) 41.204 3.279 ( 1.196 8.080 1.813) 8.367 3.492 ( -2.562 -0.960 8.309) 8.748 3.991 ( -5.011 -12.563 -12.114) 18.158 4.294 ( 0.150 5.598 -13.312) 14.442 4.605 ( 2.537 5.324 -5.169) 7.842 4.832 ( -10.808 12.046 0.041) 16.184 5.436 ( 3.696 7.653 -1.004) 8.557 5.764 ( 0.352 1.095 19.063) 19.098 6.526 ( 7.847 -5.123 7.396) 11.938 7.308 ( -8.097 -15.669 -1.811) 17.730 7.542 ( 6.077 -1.369 -10.969) 12.615 8.000 ( 11.834 0.631 3.170) 12.267 8.334 ( 7.404 0.325 0.526) 7.430 8.483 ( 10.351 3.320 -0.410) 10.879 9.435 ( -8.740 15.805 -11.940) 21.651 9.747 ( -0.824 6.129 2.902) 6.831 10.753 ( 14.245 1.545 6.573) 15.764 11.460 ( 1.446 5.492 19.565) 20.372 12.518 ( 3.882 3.507 -5.331) 7.469 13.238 ( -4.509 3.666 6.128) 8.445 13.635 ( -6.820 -1.514 -1.085) 7.070 14.039 ( -6.861 11.402 -1.169) 13.358 14.350 ( -3.408 -9.047 -1.161) 9.737 14.979 ( -2.767 -3.786 3.965) 6.141 15.904 ( 5.765 -12.184 -3.169) 13.847 16.554 ( -1.250 6.879 -6.840) 9.781 17.345 ( 31.526 3.250 -24.764) 40.220 17.759 ( 11.638 -1.216 3.683) 12.267 18.390 ( 19.246 4.950 -6.670) 20.962 20.049 ( -10.922 -4.872 7.803) 14.280 20.851 ( -14.667 -13.607 11.642) 23.148 22.126 ( -12.673 -2.882 -9.732) 16.237 22.851 ( 2.681 -1.728 -4.737) 5.711 ======================= Grid point 118 (50/260) ======================= q-point: (-0.10 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( -9.779 15.435 13.675) 22.823 1.065 ( -19.003 9.703 20.498) 29.587 1.958 ( -34.891 25.971 25.379) 50.358 3.283 ( -0.354 10.608 0.613) 10.632 3.466 ( -0.708 -1.291 12.815) 12.899 3.878 ( -4.561 -13.948 -8.329) 16.874 4.289 ( 0.250 3.731 -11.857) 12.433 4.659 ( -3.620 12.203 -1.247) 12.790 4.719 ( 5.933 3.380 -9.569) 11.755 5.498 ( 1.200 8.139 3.042) 8.772 5.779 ( 0.986 2.652 18.301) 18.518 6.608 ( -6.669 -10.070 5.790) 13.394 6.841 ( -24.938 -15.605 -2.520) 29.525 7.686 ( 6.103 -1.357 -7.638) 9.870 8.201 ( 5.919 2.095 8.446) 10.524 8.550 ( 13.017 0.463 -11.447) 17.340 8.812 ( 18.226 8.723 -6.030) 21.086 9.239 ( -10.141 16.033 -20.420) 27.872 9.704 ( -3.507 2.438 4.085) 5.910 10.973 ( 5.643 0.369 -2.395) 6.141 11.676 ( 19.265 -13.005 45.714) 51.284 12.619 ( 7.433 4.897 -2.888) 9.358 13.119 ( -8.724 3.035 5.114) 10.558 13.579 ( 2.247 0.822 1.477) 2.812 14.042 ( 10.504 24.366 -7.865) 27.675 14.322 ( 2.831 -3.386 0.234) 4.420 14.911 ( -3.669 -3.579 1.852) 5.450 15.964 ( -1.384 -3.070 -6.844) 7.628 16.535 ( -0.338 3.527 -6.241) 7.176 17.858 ( 10.656 -2.146 -9.368) 14.350 18.050 ( 21.569 -2.238 -19.615) 29.240 18.761 ( 15.301 2.127 -7.505) 17.174 19.798 ( -12.807 -2.685 14.404) 19.460 20.499 ( -19.367 -16.787 19.365) 32.123 21.740 ( -25.846 -6.028 -9.076) 28.048 22.892 ( 1.399 -2.634 -4.594) 5.477 ======================= Grid point 119 (51/260) ======================= q-point: ( 0.00 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 2.510 17.527 18.584) 25.669 1.426 ( 7.868 25.814 13.774) 30.298 2.138 ( -5.089 38.635 15.362) 41.887 3.401 ( -3.952 -3.318 12.377) 13.410 3.426 ( 0.179 -7.856 -9.743) 12.517 3.695 ( 2.894 11.380 4.980) 12.755 4.354 ( 0.564 3.713 -10.937) 11.564 4.777 ( -0.783 2.389 2.136) 3.300 4.937 ( 5.690 6.014 -3.304) 8.914 5.594 ( -4.788 7.134 10.304) 13.416 5.995 ( 3.123 12.076 3.017) 12.833 6.231 ( -4.308 8.990 3.891) 10.702 6.542 ( -1.411 -12.475 7.784) 14.772 7.719 ( 1.080 -4.996 -9.131) 10.465 8.314 ( 0.211 3.536 10.141) 10.742 8.725 ( 7.005 -3.174 -8.438) 11.416 8.867 ( -12.404 -2.103 -10.109) 16.139 9.437 ( 6.790 -7.764 12.051) 15.863 9.737 ( -4.564 20.108 -27.332) 34.237 11.011 ( -1.349 -1.022 -5.956) 6.192 11.678 ( 5.321 -0.046 31.775) 32.217 12.931 ( 6.452 7.114 -1.184) 9.677 13.054 ( -5.361 7.597 4.466) 10.315 13.489 ( 0.475 -10.408 6.733) 12.405 14.092 ( 3.063 -8.669 2.908) 9.643 14.703 ( -3.823 -6.648 -2.079) 7.946 15.099 ( 20.599 1.707 -11.600) 23.703 15.813 ( -16.198 8.329 -17.272) 25.101 16.652 ( 0.048 7.602 -5.045) 9.123 17.865 ( -1.002 -4.123 -2.113) 4.740 18.352 ( 13.057 -2.296 -28.726) 31.637 18.777 ( -10.663 -5.138 -14.555) 18.760 19.624 ( -6.289 -0.046 25.370) 26.137 20.035 ( 5.867 -3.876 33.555) 34.284 21.419 ( -3.350 8.913 -0.155) 9.523 22.813 ( -0.014 -6.534 -3.903) 7.611 ======================= Grid point 120 (52/260) ======================= q-point: ( 0.10 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -0.673 21.792 16.072) 27.086 1.390 ( 8.823 18.177 18.312) 27.268 2.409 ( 24.344 28.893 8.670) 38.763 3.327 ( -2.508 -4.520 6.068) 7.972 3.430 ( -0.674 -1.177 -6.957) 7.088 3.810 ( 8.287 7.028 6.231) 12.526 4.382 ( 1.817 2.576 -11.548) 11.971 4.762 ( -0.069 1.771 2.426) 3.005 5.086 ( 7.881 5.181 -0.245) 9.435 5.478 ( -6.803 7.676 6.686) 12.244 6.006 ( -1.845 13.120 3.687) 13.752 6.406 ( 18.443 4.727 0.253) 19.041 6.499 ( -2.317 -12.659 6.794) 14.552 7.687 ( -4.815 -4.560 -7.682) 10.149 8.206 ( -8.815 -2.113 7.937) 12.048 8.580 ( -13.823 1.104 -4.911) 14.711 8.744 ( -6.536 1.570 -3.110) 7.406 9.463 ( 0.541 -4.815 1.632) 5.112 9.826 ( 8.541 17.533 -17.475) 26.187 10.935 ( -5.404 0.600 -4.846) 7.284 11.793 ( 4.994 5.815 27.215) 28.274 12.863 ( -5.942 6.667 5.492) 10.484 13.139 ( 6.304 5.335 -2.080) 8.516 13.555 ( 6.065 -8.694 6.416) 12.391 14.154 ( 2.295 -8.721 4.781) 10.207 14.594 ( -8.053 -2.889 -4.570) 9.700 15.033 ( -24.020 8.133 7.002) 26.309 15.627 ( 4.616 4.809 -20.471) 21.528 16.601 ( -2.995 7.767 -8.841) 12.143 17.802 ( -6.062 -3.588 -2.395) 7.440 18.113 ( -23.871 -4.637 -19.163) 30.960 18.928 ( 9.282 -6.153 -20.406) 23.247 19.456 ( -3.477 -6.505 29.237) 30.153 20.321 ( 15.562 -1.974 20.528) 25.835 21.632 ( 19.780 3.444 -4.129) 20.498 22.810 ( -0.288 -6.433 -3.869) 7.512 ======================= Grid point 121 (53/260) ======================= q-point: ( 0.20 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 8.198 13.462 13.524) 20.768 1.744 ( 19.176 9.728 11.884) 24.568 2.926 ( 23.466 12.510 1.518) 26.636 3.275 ( -3.496 -1.851 5.300) 6.614 3.419 ( 0.718 -2.259 -8.446) 8.772 4.019 ( 10.829 7.008 1.591) 12.996 4.420 ( 2.802 0.301 -7.766) 8.262 4.783 ( 2.017 1.605 3.764) 4.562 5.233 ( 3.589 4.868 3.764) 7.124 5.341 ( -3.367 10.346 0.159) 10.881 5.936 ( -4.414 12.832 2.713) 13.839 6.410 ( -5.053 -8.776 8.655) 13.321 6.878 ( 22.284 -4.472 -4.073) 23.090 7.505 ( -11.501 -3.829 -5.632) 13.366 8.024 ( -9.801 -5.108 7.341) 13.268 8.300 ( -12.512 -0.070 3.176) 12.909 8.546 ( -9.414 8.867 -1.721) 13.046 9.502 ( 1.439 -4.128 -2.583) 5.078 9.974 ( 6.061 18.960 -9.982) 22.268 10.811 ( -6.208 5.346 -3.289) 8.828 11.884 ( 3.558 13.464 20.944) 25.152 12.767 ( -3.846 4.879 4.753) 7.822 13.239 ( 4.290 4.293 -0.899) 6.135 13.720 ( 8.725 -3.582 5.382) 10.859 14.166 ( -1.652 -8.412 2.514) 8.933 14.331 ( -11.877 8.608 -1.380) 14.734 14.760 ( -3.651 -6.608 1.224) 7.648 15.678 ( -1.263 -6.494 -3.894) 7.677 16.568 ( -0.098 7.508 -15.411) 17.143 17.554 ( -19.164 -3.623 -6.788) 20.651 17.687 ( -14.151 -1.691 -6.793) 15.788 18.777 ( -17.020 7.854 -6.220) 19.749 19.626 ( 13.077 -18.743 11.488) 25.579 20.610 ( 12.109 -4.552 12.134) 17.736 22.029 ( 16.577 -0.408 -6.604) 17.849 22.795 ( -1.150 -5.402 -3.964) 6.798 ======================= Grid point 122 (54/260) ======================= q-point: ( 0.30 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 18.795 -1.769 5.746) 19.733 2.135 ( 17.943 3.873 8.930) 20.413 3.154 ( -5.140 -0.710 -0.783) 5.247 3.272 ( 3.573 -0.317 0.533) 3.626 3.530 ( 12.877 -5.211 -8.421) 16.244 4.174 ( 3.176 4.410 -11.799) 12.990 4.552 ( 9.837 4.237 2.179) 10.930 4.839 ( 3.766 -0.200 6.620) 7.618 5.142 ( -6.240 5.154 -1.816) 8.294 5.440 ( 6.741 9.392 3.640) 12.120 5.859 ( -2.356 11.683 1.631) 12.029 6.290 ( -6.616 -3.993 9.722) 12.419 7.092 ( -5.946 -5.231 3.150) 8.523 7.378 ( 0.698 -1.696 -5.466) 5.766 7.774 ( -10.346 -4.775 -0.117) 11.395 8.098 ( -9.014 10.295 7.143) 15.435 8.471 ( 4.135 -0.055 1.916) 4.558 9.472 ( -4.701 -6.528 -1.582) 8.199 10.084 ( 5.097 20.254 -5.896) 21.702 10.693 ( -5.100 11.761 -2.754) 13.112 11.950 ( 2.640 16.457 15.229) 22.577 12.687 ( -4.165 9.090 0.865) 10.036 13.351 ( 6.942 1.871 2.812) 7.720 13.853 ( 3.182 -0.667 2.914) 4.366 14.125 ( -0.724 -11.961 -1.588) 12.087 14.226 ( -0.102 -1.702 -3.335) 3.745 14.737 ( 0.147 -11.352 1.966) 11.522 15.566 ( -9.453 -14.218 4.766) 17.727 16.572 ( 0.235 8.822 -17.962) 20.013 17.200 ( -12.769 -0.056 -3.279) 13.183 17.444 ( -9.574 4.083 -5.330) 11.694 18.391 ( -19.457 13.537 -4.467) 24.120 19.865 ( 9.595 -19.939 6.392) 23.033 20.815 ( 7.645 -9.121 9.413) 15.174 22.291 ( 9.521 -0.301 -6.731) 11.664 22.759 ( -2.303 -3.874 -4.193) 6.156 ======================= Grid point 123 (55/260) ======================= q-point: ( 0.40 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 19.541 -11.006 1.511) 22.478 2.438 ( 9.521 -3.427 7.078) 12.349 3.036 ( -4.314 -0.496 -2.584) 5.053 3.224 ( -6.197 -1.051 1.941) 6.579 3.820 ( 12.614 -8.603 -11.120) 18.889 4.178 ( -1.806 0.236 -14.297) 14.412 4.690 ( 2.238 10.570 -4.223) 11.600 4.929 ( -0.530 -7.827 -0.733) 7.879 5.102 ( 7.038 5.266 5.969) 10.625 5.549 ( 3.898 6.844 6.554) 10.246 5.857 ( 1.834 9.252 2.759) 9.828 6.147 ( -7.465 1.650 10.894) 13.309 6.927 ( -5.860 -1.665 5.375) 8.124 7.197 ( -14.669 -0.562 3.642) 15.125 7.738 ( -0.043 5.111 -0.515) 5.137 7.944 ( -2.638 13.414 -3.381) 14.083 8.690 ( 14.820 -8.865 7.195) 18.708 9.311 ( -10.485 -9.692 0.578) 14.290 10.187 ( 4.965 19.509 -3.343) 20.407 10.596 ( -4.422 17.329 -3.619) 18.247 11.990 ( 0.734 15.888 10.792) 19.221 12.606 ( -3.286 15.923 -2.369) 16.431 13.513 ( 7.801 -4.492 3.532) 9.670 13.862 ( -1.767 -8.593 -2.456) 9.110 14.112 ( -0.056 -11.050 2.490) 11.327 14.289 ( 5.043 -6.896 -8.142) 11.801 14.748 ( 0.534 -12.370 4.669) 13.233 15.321 ( -13.281 -14.873 7.463) 21.291 16.576 ( 1.086 8.618 -14.854) 17.207 17.008 ( -7.374 2.413 -0.324) 7.765 17.356 ( 2.069 11.591 -8.357) 14.438 18.003 ( -17.661 15.593 -6.423) 24.419 20.023 ( 5.795 -18.481 5.749) 20.203 20.928 ( 3.290 -13.926 8.741) 16.768 22.440 ( 5.442 -0.729 -6.502) 8.510 22.703 ( -2.927 -1.960 -4.568) 5.769 ======================= Grid point 124 (56/260) ======================= q-point: (-0.50 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 10.559 -14.420 2.723) 18.078 2.438 ( -9.427 -9.227 1.908) 13.328 3.021 ( -0.839 0.116 -0.762) 1.140 3.110 ( 0.694 0.761 2.683) 2.874 3.990 ( 2.510 -6.047 -12.603) 14.202 4.116 ( -2.726 -2.243 -13.500) 13.954 4.651 ( -6.061 7.017 -5.182) 10.622 4.877 ( -1.094 -0.980 -9.913) 10.022 5.293 ( 6.964 -0.854 8.873) 11.312 5.611 ( 1.258 2.828 10.976) 11.404 5.893 ( -0.453 8.220 4.524) 9.394 6.025 ( -1.409 5.810 10.095) 11.732 6.886 ( -2.207 0.822 4.968) 5.498 6.970 ( -1.687 0.733 1.957) 2.685 7.664 ( -3.383 12.675 2.644) 13.383 8.030 ( 7.966 11.402 -3.957) 14.461 8.912 ( -3.943 -13.188 8.522) 16.189 9.153 ( 4.791 -10.547 2.312) 11.813 10.269 ( 2.140 18.771 -0.886) 18.914 10.517 ( -2.515 20.273 -5.720) 21.214 11.970 ( -2.992 15.074 6.723) 16.774 12.562 ( -0.893 18.221 -3.251) 18.530 13.576 ( -3.557 -9.482 -1.334) 10.214 13.855 ( 2.550 -11.025 0.839) 11.347 14.117 ( 0.027 -11.973 3.180) 12.388 14.428 ( 9.292 -10.439 -8.718) 16.472 14.728 ( -3.947 -11.894 6.094) 13.935 15.095 ( -6.694 -9.836 5.379) 13.057 16.626 ( 3.819 7.263 -11.879) 14.438 16.904 ( -1.856 6.588 -0.251) 6.849 17.454 ( 2.601 14.930 -8.047) 17.159 17.725 ( -4.980 13.617 -9.321) 17.236 20.106 ( 2.222 -16.067 6.605) 17.514 20.957 ( -0.581 -17.556 8.444) 19.490 22.510 ( 0.788 -1.986 -6.172) 6.532 22.657 ( -0.539 0.169 -4.973) 5.005 ======================= Grid point 125 (57/260) ======================= q-point: (-0.40 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -19.416 -8.283 -0.485) 21.114 2.394 ( -11.940 -6.004 7.826) 15.487 3.063 ( 7.273 -1.129 -3.027) 7.958 3.221 ( 5.578 -5.767 3.021) 8.573 3.902 ( -9.023 -3.628 -9.416) 13.537 4.060 ( -4.396 -2.982 -14.288) 15.243 4.525 ( -4.265 8.313 -8.711) 12.774 4.836 ( -4.247 4.155 -2.473) 6.436 5.373 ( 1.817 0.635 4.063) 4.496 5.555 ( -6.260 2.638 12.964) 14.636 5.846 ( -2.205 9.841 4.173) 10.915 6.120 ( 7.421 3.761 8.057) 11.582 6.871 ( 4.963 -1.129 3.219) 6.022 7.116 ( 11.079 -0.295 -0.638) 11.101 7.679 ( 5.151 8.634 -1.779) 10.210 8.198 ( 6.877 12.965 3.735) 15.143 8.628 ( -16.319 -13.782 6.745) 22.400 9.397 ( 12.071 -9.451 4.379) 15.944 10.246 ( -3.828 21.690 -1.653) 22.087 10.525 ( 3.277 17.144 -4.753) 18.090 11.875 ( -6.027 15.398 4.099) 17.036 12.560 ( 0.447 13.775 -3.292) 14.170 13.454 ( -6.094 -5.884 1.248) 8.563 13.857 ( -3.683 -5.905 -2.084) 7.265 14.139 ( 1.949 -14.064 2.507) 14.418 14.525 ( -8.390 -7.170 3.414) 11.552 14.706 ( 10.080 -15.814 -1.007) 18.780 15.085 ( 5.253 -10.024 -0.171) 11.319 16.729 ( 6.910 6.917 -10.402) 14.276 16.915 ( 0.911 13.416 -4.917) 14.318 17.389 ( -1.765 7.295 -4.237) 8.619 17.876 ( 14.007 13.296 -10.601) 22.031 20.116 ( -1.379 -13.675 8.481) 16.151 20.909 ( -4.196 -18.865 8.233) 21.007 22.459 ( -4.858 -0.855 -5.911) 7.699 22.692 ( 3.139 -0.573 -4.947) 5.887 ======================= Grid point 126 (58/260) ======================= q-point: (-0.30 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( -22.422 -2.143 1.415) 22.568 2.048 ( -19.852 2.211 8.299) 21.630 3.181 ( -0.833 -3.399 0.178) 3.504 3.309 ( 4.901 -2.076 -0.334) 5.333 3.651 ( -13.233 -4.042 -0.608) 13.850 3.963 ( -4.726 1.985 -14.157) 15.056 4.453 ( -3.286 8.140 -8.762) 12.403 4.729 ( -4.597 4.837 2.598) 7.161 5.317 ( -8.830 11.199 3.151) 14.606 5.493 ( 2.540 3.315 4.486) 6.129 5.815 ( -0.480 6.471 5.148) 8.283 6.277 ( 7.327 -0.633 7.667) 10.624 7.065 ( 10.890 -3.382 2.652) 11.708 7.353 ( 10.685 -2.555 -6.070) 12.552 7.837 ( 6.623 1.380 -4.086) 7.903 8.159 ( -7.492 -7.342 14.605) 17.981 8.499 ( 5.369 8.909 1.361) 10.490 9.567 ( 3.614 -5.973 2.836) 7.535 10.154 ( -4.441 23.534 -6.670) 24.861 10.632 ( 7.035 10.742 -0.042) 12.841 11.740 ( -6.799 14.483 5.521) 16.925 12.576 ( 1.269 8.366 -3.156) 9.031 13.361 ( -3.010 0.177 3.414) 4.555 13.744 ( -6.300 -1.734 -2.042) 6.846 14.157 ( -0.824 -13.562 0.385) 13.592 14.327 ( -8.151 -0.403 1.996) 8.402 14.861 ( 3.234 -10.856 5.145) 12.441 15.313 ( 15.789 -16.822 -5.040) 23.615 16.813 ( -3.625 8.042 -6.350) 10.869 17.008 ( 14.721 13.667 -18.712) 27.452 17.493 ( 10.360 -0.018 1.315) 10.443 18.188 ( 15.841 10.973 -9.893) 21.661 20.052 ( -4.962 -11.295 11.195) 16.659 20.784 ( -8.355 -17.524 8.834) 21.330 22.324 ( -8.371 -0.093 -5.629) 10.088 22.755 ( 2.779 -1.992 -4.489) 5.643 ======================= Grid point 127 (59/260) ======================= q-point: (-0.20 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -14.576 12.740 6.254) 20.344 1.633 ( -19.663 8.007 10.339) 23.614 2.946 ( -19.750 9.214 3.822) 22.126 3.410 ( 2.123 0.357 6.056) 6.427 3.481 ( -1.739 -2.359 -3.548) 4.602 3.831 ( -7.783 2.620 -3.622) 8.976 4.404 ( -1.424 4.686 -11.567) 12.561 4.679 ( 0.083 2.859 1.114) 3.069 5.108 ( -10.106 14.314 -0.323) 17.525 5.587 ( 5.221 6.528 3.234) 8.963 5.832 ( 1.926 5.775 5.711) 8.347 6.410 ( 5.205 -5.277 7.672) 10.667 7.074 ( -15.432 -7.208 4.259) 17.557 7.529 ( 7.879 -1.163 -9.982) 12.770 7.894 ( 8.366 -8.305 3.175) 12.208 8.298 ( 14.464 -3.877 5.281) 15.878 8.665 ( 10.015 12.726 1.160) 16.235 9.539 ( -5.829 -2.199 -0.188) 6.233 10.060 ( -5.106 21.051 -12.852) 25.187 10.806 ( 9.297 3.695 2.334) 10.273 11.621 ( -4.291 11.041 13.648) 18.072 12.624 ( 3.955 7.310 -2.610) 8.712 13.310 ( -2.860 2.440 4.237) 5.664 13.616 ( -5.965 -0.567 -0.426) 6.007 14.097 ( -3.792 -11.898 0.193) 12.489 14.281 ( 4.864 8.267 -3.140) 10.092 14.871 ( -1.584 -7.171 4.518) 8.622 15.644 ( 15.137 -12.936 -1.762) 19.989 16.708 ( -4.914 8.334 -9.592) 13.624 17.416 ( 23.036 3.572 -24.487) 33.809 17.735 ( 11.963 -1.012 1.854) 12.148 18.511 ( 15.758 6.752 -8.388) 19.086 19.919 ( -8.109 -7.878 14.798) 18.622 20.557 ( -14.132 -14.649 11.966) 23.611 22.094 ( -14.588 -0.197 -4.567) 15.288 22.798 ( 1.339 -3.675 -4.164) 5.713 ======================= Grid point 128 (60/260) ======================= q-point: (-0.10 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 6.309 28.985 11.119) 31.679 1.294 ( -11.898 13.865 15.510) 23.966 2.487 ( -22.918 25.721 11.822) 36.422 3.404 ( -0.207 -5.400 2.304) 5.874 3.492 ( -1.405 -1.664 0.898) 2.356 3.695 ( -3.759 7.507 2.415) 8.735 4.370 ( -1.620 4.269 -11.509) 12.382 4.734 ( 4.305 -0.390 -1.024) 4.442 4.938 ( -5.631 13.293 -2.498) 14.651 5.652 ( -0.054 6.846 8.507) 10.919 5.902 ( 4.765 8.934 2.904) 10.533 6.456 ( -4.830 -5.161 7.241) 10.119 6.637 ( -17.260 -5.681 6.502) 19.299 7.661 ( 4.656 -2.959 -9.219) 10.744 8.160 ( 13.345 -3.988 3.499) 14.361 8.552 ( 9.501 -0.242 -0.835) 9.541 8.906 ( 10.666 3.207 -2.589) 11.435 9.382 ( -6.502 -1.762 -0.391) 6.748 9.916 ( -8.850 17.235 -18.810) 27.003 10.971 ( 5.603 -0.680 -2.373) 6.123 11.593 ( 1.563 4.177 27.153) 27.517 12.751 ( 8.341 8.245 -1.786) 11.863 13.211 ( -7.182 5.005 4.711) 9.941 13.518 ( -3.196 -6.287 3.896) 8.057 14.055 ( 0.015 -9.155 -0.048) 9.155 14.551 ( 20.898 12.468 -10.491) 26.500 14.821 ( -2.177 -4.960 1.002) 5.509 15.892 ( 7.256 -3.638 -2.841) 8.599 16.637 ( -1.083 6.640 -8.882) 11.143 17.807 ( 10.232 -2.815 -9.815) 14.455 17.997 ( 16.501 -3.089 -21.217) 27.055 18.811 ( 11.252 2.697 -9.567) 15.014 19.738 ( -8.805 -2.953 20.589) 22.586 20.217 ( -17.751 -10.819 21.999) 30.267 21.719 ( -20.521 2.914 -1.687) 20.795 22.812 ( 0.250 -5.478 -4.014) 6.796 ======================= Grid point 129 (61/260) ======================= q-point: ( 0.00 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 2.356 17.647 10.315) 20.576 1.869 ( 3.082 18.271 9.292) 20.728 2.811 ( -0.291 27.841 2.258) 27.934 3.148 ( -0.239 -13.700 -6.734) 15.267 3.362 ( -1.859 -0.714 15.773) 15.898 3.999 ( 1.469 10.508 -0.092) 10.610 4.466 ( 0.345 10.234 -5.994) 11.865 4.763 ( 1.418 -1.915 5.541) 6.031 5.069 ( 0.275 6.276 2.844) 6.895 5.741 ( -5.008 6.706 1.734) 8.547 6.095 ( 6.198 -9.135 0.473) 11.049 6.354 ( -2.723 4.094 5.854) 7.644 6.475 ( -2.457 11.402 3.782) 12.262 7.558 ( 0.422 -10.746 -6.107) 12.368 8.388 ( 0.886 3.752 0.607) 3.903 8.656 ( 4.088 -4.141 -8.991) 10.709 8.850 ( -9.074 1.131 0.517) 9.159 9.256 ( 3.645 -9.642 13.829) 17.248 10.114 ( -2.666 18.373 -17.918) 25.802 10.952 ( -0.940 -5.367 -7.412) 9.199 11.839 ( 5.451 14.417 21.776) 26.679 13.036 ( 2.868 -2.307 3.389) 5.004 13.161 ( -0.708 1.494 -2.358) 2.880 13.307 ( -0.686 -1.089 6.253) 6.384 13.959 ( 1.626 -4.634 6.355) 8.031 14.562 ( -4.222 -7.227 -1.209) 8.457 15.067 ( 11.658 -3.776 -6.520) 13.881 15.927 ( -5.592 3.867 -14.240) 15.780 16.807 ( 2.063 7.796 -2.718) 8.510 17.772 ( -2.391 -5.126 -3.756) 6.790 18.314 ( 16.868 -1.565 -29.450) 33.975 18.696 ( -19.010 -3.139 -20.318) 28.001 19.632 ( -8.810 0.725 24.945) 26.465 19.993 ( 10.796 -1.028 32.512) 34.274 21.617 ( -2.093 10.620 -0.821) 10.856 22.664 ( -0.623 -8.240 -3.597) 9.013 ======================= Grid point 130 (62/260) ======================= q-point: ( 0.10 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 9.517 15.175 10.527) 20.777 1.831 ( -4.784 20.424 11.950) 24.142 2.893 ( 7.425 16.061 -1.437) 17.752 3.166 ( 1.203 -9.357 -3.520) 10.069 3.361 ( 1.106 0.591 8.706) 8.796 4.072 ( 6.212 9.385 3.961) 11.931 4.451 ( -2.073 8.539 -6.978) 11.220 4.777 ( 1.293 0.528 6.319) 6.471 5.172 ( 8.012 3.702 3.182) 9.382 5.609 ( -7.270 3.326 -1.731) 8.180 6.176 ( 0.880 -6.493 1.614) 6.748 6.315 ( -1.270 5.684 5.837) 8.246 6.564 ( 11.052 9.992 1.402) 14.965 7.546 ( -2.653 -9.446 -4.969) 10.998 8.146 ( -14.691 -3.330 -3.771) 15.529 8.577 ( -17.076 -0.660 9.389) 19.498 8.805 ( 4.096 3.423 -5.176) 7.436 9.352 ( 4.396 -5.294 6.610) 9.541 10.160 ( 6.540 16.649 -15.685) 23.790 10.911 ( -2.282 -3.542 -6.691) 7.907 12.001 ( 9.118 14.529 20.218) 26.514 12.977 ( -5.709 1.693 5.803) 8.315 13.207 ( 3.149 -0.141 -2.453) 3.995 13.402 ( 8.697 -2.345 4.341) 9.999 13.996 ( 1.408 -7.118 7.288) 10.284 14.477 ( -3.718 -7.247 -4.124) 9.129 15.077 ( -12.591 -2.143 6.911) 14.522 15.751 ( -7.708 6.383 -15.628) 18.558 16.786 ( -3.140 10.553 -6.691) 12.884 17.716 ( -3.381 -5.320 -5.939) 8.660 18.006 ( -28.205 -5.701 -21.880) 36.149 18.825 ( 16.100 -3.894 -22.422) 27.877 19.382 ( -12.754 -1.855 26.777) 29.718 20.305 ( 14.315 -0.085 25.446) 29.196 21.753 ( 13.589 7.950 -3.200) 16.066 22.664 ( 0.535 -8.083 -4.306) 9.174 ======================= Grid point 131 (63/260) ======================= q-point: ( 0.20 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( -2.549 17.973 12.804) 22.214 1.957 ( 13.341 11.812 8.302) 19.658 3.054 ( 5.183 -2.751 -4.957) 7.681 3.185 ( 2.836 -8.636 0.270) 9.093 3.383 ( 0.620 6.314 -1.956) 6.639 4.228 ( 5.025 2.702 2.755) 6.336 4.422 ( 3.236 8.243 -0.497) 8.869 4.828 ( 2.875 2.542 3.033) 4.891 5.309 ( 1.255 2.709 1.514) 3.347 5.497 ( -0.049 3.893 -2.240) 4.491 6.148 ( -2.779 4.089 -0.270) 4.951 6.286 ( -1.903 1.333 7.505) 7.856 6.870 ( 16.209 2.817 -1.034) 16.484 7.408 ( -9.440 -5.920 -5.383) 12.375 7.934 ( -8.111 -3.729 4.428) 9.965 8.220 ( -14.038 -5.388 8.866) 17.456 8.773 ( -5.943 11.185 -1.453) 12.749 9.411 ( 0.270 -4.443 1.545) 4.712 10.318 ( 7.855 16.042 -11.193) 21.079 10.878 ( -0.483 1.132 -6.151) 6.273 12.187 ( 7.983 16.786 16.615) 24.931 12.870 ( -4.107 4.711 5.589) 8.385 13.280 ( 4.110 -0.635 -1.402) 4.389 13.605 ( 10.160 -5.932 3.313) 12.223 13.997 ( -2.017 -7.726 5.819) 9.880 14.406 ( -3.831 -3.964 -3.136) 6.343 14.691 ( -19.250 0.927 6.033) 20.194 15.585 ( -10.274 -2.473 -0.022) 10.568 16.740 ( -0.667 9.563 -16.671) 19.231 17.480 ( -19.071 -3.964 -11.005) 22.373 17.643 ( -5.888 -2.571 -13.092) 14.583 18.928 ( -8.293 6.832 -16.679) 19.840 19.287 ( 5.874 -14.618 21.546) 26.691 20.535 ( 7.683 -3.200 19.409) 21.118 22.062 ( 14.338 3.254 -4.797) 15.466 22.676 ( 0.508 -6.420 -5.055) 8.188 ======================= Grid point 132 (64/260) ======================= q-point: ( 0.30 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 5.694 7.964 10.284) 14.199 2.218 ( 10.740 3.728 7.052) 13.379 3.030 ( -3.920 -8.227 -0.301) 9.118 3.324 ( 3.773 -7.077 -9.534) 12.459 3.414 ( 6.297 4.878 -2.198) 8.264 4.202 ( -3.953 -4.241 -7.889) 9.790 4.633 ( 12.269 5.754 9.844) 16.749 4.869 ( 0.905 2.658 -3.204) 4.260 5.224 ( -5.126 2.365 -1.996) 5.987 5.602 ( 6.184 6.669 2.206) 9.358 6.077 ( -3.723 9.513 -0.921) 10.257 6.249 ( -1.584 0.436 8.582) 8.738 7.030 ( -3.965 -1.509 0.470) 4.269 7.339 ( 2.695 -2.091 -1.645) 3.787 7.687 ( -9.428 -3.727 4.849) 11.238 8.150 ( 3.440 -2.117 9.367) 10.201 8.620 ( -7.242 11.692 -0.878) 13.781 9.340 ( -7.222 -6.711 1.387) 9.956 10.455 ( 5.571 17.066 -7.058) 19.290 10.887 ( 1.063 7.438 -6.324) 9.821 12.308 ( 3.287 19.089 12.401) 22.999 12.831 ( 0.343 5.482 4.650) 7.197 13.375 ( 4.979 0.481 -0.598) 5.038 13.780 ( 4.651 -10.072 2.064) 11.284 13.901 ( -6.118 -6.413 4.496) 9.939 14.261 ( -8.133 4.726 -0.729) 9.435 14.478 ( -2.350 -14.423 1.655) 14.707 15.328 ( -13.730 -9.570 7.627) 18.392 16.727 ( -1.024 6.495 -18.234) 19.383 17.186 ( -9.640 -1.124 -6.608) 11.741 17.555 ( -1.297 7.095 -14.178) 15.908 18.663 ( -15.094 13.378 -9.818) 22.432 19.462 ( 8.882 -19.855 12.177) 24.927 20.635 ( 2.082 -8.867 16.677) 19.002 22.299 ( 8.703 0.990 -5.411) 10.295 22.677 ( -0.342 -4.193 -5.377) 6.827 ======================= Grid point 133 (65/260) ======================= q-point: ( 0.40 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 10.798 -4.658 7.512) 13.954 2.340 ( -0.192 -7.659 7.465) 10.697 2.988 ( 1.117 -0.998 -2.386) 2.817 3.287 ( -4.502 4.905 -4.632) 8.111 3.629 ( 11.394 -9.201 -7.304) 16.365 4.113 ( -4.816 -7.685 -9.801) 13.353 4.764 ( -1.681 -3.751 0.664) 4.164 4.904 ( 3.612 7.117 -8.519) 11.674 5.193 ( 3.024 3.139 4.334) 6.146 5.688 ( 2.035 6.719 4.346) 8.257 6.025 ( -0.858 7.281 0.648) 7.360 6.210 ( -2.857 4.345 9.476) 10.809 6.928 ( -2.841 1.492 4.452) 5.488 7.173 ( -13.065 -1.786 6.626) 14.758 7.795 ( 11.861 1.378 -2.369) 12.174 8.174 ( -3.042 8.331 -0.266) 8.873 8.595 ( 6.700 -0.101 7.933) 10.385 9.131 ( -12.435 -8.727 3.053) 15.496 10.550 ( 3.915 16.675 -4.087) 17.609 10.900 ( -0.101 12.921 -6.638) 14.527 12.330 ( -0.938 17.820 8.553) 19.789 12.868 ( 2.320 9.029 1.467) 9.437 13.457 ( 1.420 -0.607 -0.188) 1.556 13.681 ( -6.320 -9.614 2.308) 11.734 13.899 ( 0.901 -9.262 4.981) 10.555 14.183 ( 0.366 -3.311 -4.808) 5.850 14.477 ( 1.113 -14.295 4.144) 14.925 15.064 ( -11.414 -11.307 8.194) 18.035 16.703 ( -0.196 4.511 -13.430) 14.169 17.043 ( -4.733 1.106 -3.126) 5.780 17.615 ( 6.946 14.273 -17.524) 23.644 18.334 ( -16.292 17.117 -11.743) 26.388 19.636 ( 7.680 -19.936 11.550) 24.287 20.639 ( -1.620 -14.766 15.236) 21.279 22.426 ( 4.080 -0.638 -5.707) 7.045 22.664 ( -0.703 -1.837 -5.238) 5.595 ======================= Grid point 134 (66/260) ======================= q-point: (-0.50 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 5.826 -13.667 7.952) 16.851 2.238 ( -5.912 -10.630 5.814) 13.482 3.050 ( 2.176 3.631 -3.174) 5.291 3.181 ( -3.658 5.789 -3.773) 7.819 3.833 ( 7.525 -9.684 -8.385) 14.857 3.986 ( -7.177 -10.545 -8.682) 15.429 4.675 ( -4.601 -1.551 -9.121) 10.333 4.965 ( 2.077 7.326 -8.081) 11.103 5.288 ( 4.235 0.151 6.977) 8.163 5.695 ( -1.636 4.865 7.040) 8.712 6.043 ( 1.869 6.565 3.599) 7.716 6.155 ( -0.745 6.636 8.303) 10.655 6.915 ( -3.042 1.768 5.770) 6.758 6.986 ( -0.393 0.829 4.231) 4.329 7.890 ( -4.015 10.336 0.800) 11.117 8.225 ( 11.201 7.170 -6.463) 14.786 8.691 ( -8.804 -8.520 12.175) 17.272 8.972 ( 5.973 -8.062 5.411) 11.399 10.615 ( 2.296 15.749 -1.897) 16.028 10.878 ( -1.724 15.806 -7.511) 17.584 12.286 ( -3.309 16.202 5.136) 17.316 12.882 ( -1.772 11.736 -1.696) 11.990 13.395 ( -4.374 -7.776 -2.379) 9.233 13.683 ( 4.235 -4.802 6.707) 9.272 13.891 ( -1.216 -10.324 4.295) 11.247 14.241 ( 4.807 -8.152 -6.378) 11.412 14.490 ( -0.841 -11.686 5.990) 13.159 14.891 ( -4.700 -10.677 5.685) 12.977 16.732 ( 3.104 3.758 -9.264) 10.467 17.004 ( 1.465 3.355 -1.657) 4.018 17.761 ( 2.885 15.847 -18.480) 24.515 18.047 ( -7.088 17.791 -14.161) 23.818 19.770 ( 4.978 -17.206 12.996) 22.130 20.588 ( -3.184 -18.954 13.462) 23.465 22.471 ( 0.386 -1.871 -5.685) 5.998 22.657 ( 0.375 -0.067 -4.888) 4.902 ======================= Grid point 135 (67/260) ======================= q-point: (-0.40 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -12.773 -7.096 7.938) 16.629 2.280 ( -0.266 -7.179 5.585) 9.099 3.008 ( -2.008 -1.361 -1.590) 2.901 3.217 ( 4.387 3.644 -6.996) 9.026 3.756 ( -11.352 -9.981 -3.933) 15.619 3.980 ( 3.519 -5.925 -10.647) 12.683 4.618 ( -0.842 1.875 -11.168) 11.356 4.947 ( -4.479 6.231 1.116) 7.754 5.373 ( 5.080 0.401 1.159) 5.226 5.617 ( -5.628 3.246 7.341) 9.803 6.051 ( -1.203 9.699 4.209) 10.641 6.228 ( 5.598 6.164 7.551) 11.240 6.872 ( 2.588 0.982 2.102) 3.476 7.102 ( 8.434 -1.063 2.718) 8.925 7.812 ( -1.358 5.335 -3.609) 6.583 8.343 ( -18.789 -7.221 12.694) 23.797 8.502 ( 12.348 9.307 0.237) 15.464 9.219 ( 12.748 -8.808 6.856) 16.944 10.632 ( -0.876 17.029 -1.663) 17.133 10.841 ( -1.323 14.175 -7.813) 16.239 12.197 ( -5.611 16.429 2.695) 17.569 12.802 ( -4.629 10.107 -1.519) 11.220 13.349 ( -0.509 -5.271 -1.765) 5.582 13.744 ( -0.494 -8.309 1.640) 8.484 13.888 ( 1.867 -6.861 5.766) 9.154 14.330 ( 0.342 -11.691 0.416) 11.704 14.478 ( 4.090 -6.781 3.087) 8.499 14.888 ( 3.867 -10.411 1.516) 11.209 16.822 ( 5.662 3.360 -6.665) 9.368 17.102 ( 7.363 5.015 -2.973) 9.392 17.613 ( -10.015 14.788 -16.784) 24.509 18.156 ( 11.484 14.014 -15.541) 23.871 19.836 ( 1.194 -13.710 15.844) 20.986 20.523 ( -3.230 -19.468 11.164) 22.673 22.438 ( -3.533 -1.210 -5.292) 6.478 22.681 ( 1.784 -0.516 -4.365) 4.743 ======================= Grid point 136 (68/260) ======================= q-point: (-0.30 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -9.555 5.886 8.367) 13.998 2.133 ( -12.633 5.196 3.792) 14.176 3.027 ( 2.183 -10.085 0.755) 10.346 3.300 ( 3.021 -2.362 -11.422) 12.049 3.517 ( -10.096 -4.300 1.901) 11.137 4.027 ( 1.499 1.129 -9.187) 9.376 4.582 ( -4.220 5.402 -4.516) 8.209 4.824 ( -5.566 4.437 2.836) 7.662 5.483 ( -3.131 5.844 -2.397) 7.050 5.508 ( 3.434 -1.433 7.479) 8.353 5.996 ( -3.509 10.900 0.659) 11.470 6.326 ( 3.624 4.732 7.876) 9.877 7.027 ( 9.812 -0.736 -0.189) 9.841 7.292 ( 9.186 -3.422 -1.784) 9.964 7.812 ( -4.944 -2.980 -0.823) 5.831 8.011 ( -4.480 -6.171 12.466) 14.614 8.745 ( 10.319 13.682 3.316) 17.455 9.425 ( 6.322 -8.309 5.505) 11.803 10.571 ( -5.007 18.202 -6.903) 20.101 10.835 ( 0.983 9.024 -4.451) 10.110 12.053 ( -8.195 16.783 3.500) 19.002 12.746 ( -0.286 9.144 -0.465) 9.160 13.336 ( -1.424 -3.564 -0.363) 3.855 13.678 ( -5.096 -10.369 -0.463) 11.563 13.933 ( 1.628 -2.737 4.181) 5.256 14.290 ( -0.526 -4.109 0.660) 4.194 14.639 ( 7.086 -9.639 6.648) 13.686 15.060 ( 14.062 -9.807 -3.767) 17.553 16.921 ( 1.719 3.747 -4.872) 6.382 17.249 ( 7.043 8.377 -17.948) 21.022 17.538 ( 5.121 5.957 -6.567) 10.239 18.394 ( 11.350 8.911 -12.370) 19.007 19.831 ( -1.651 -9.848 18.471) 20.997 20.450 ( -4.607 -15.887 10.141) 19.402 22.323 ( -7.745 -0.062 -4.439) 8.927 22.714 ( 1.169 -2.030 -3.736) 4.410 ======================= Grid point 137 (69/260) ======================= q-point: (-0.20 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 0.195 19.264 8.997) 21.262 1.841 ( -14.207 12.850 3.890) 19.548 3.017 ( -4.183 -2.853 -0.625) 5.102 3.256 ( -4.920 -13.781 -8.181) 16.764 3.448 ( 0.898 3.646 6.551) 7.551 4.033 ( -1.198 9.170 -3.403) 9.854 4.476 ( -3.557 4.934 -2.066) 6.424 4.738 ( -3.255 3.129 1.030) 4.631 5.340 ( -8.185 8.456 2.050) 11.945 5.650 ( 7.397 -0.937 4.215) 8.565 5.950 ( -0.506 6.224 -3.812) 7.316 6.379 ( 1.414 2.050 7.576) 7.975 7.026 ( -13.377 1.948 5.349) 14.538 7.477 ( 7.251 -4.485 -4.978) 9.873 7.734 ( 8.335 -7.328 -1.838) 11.250 8.214 ( 16.376 -4.184 7.909) 18.661 8.913 ( 5.784 12.073 3.264) 13.780 9.451 ( -4.041 -6.037 4.272) 8.428 10.433 ( -7.983 16.187 -12.400) 21.897 10.877 ( 2.920 2.877 -3.271) 5.245 11.888 ( -7.108 16.003 9.295) 19.824 12.790 ( 4.371 8.996 -0.664) 10.024 13.286 ( -3.209 -5.497 2.541) 6.853 13.546 ( -7.421 -8.322 0.417) 11.158 13.947 ( -0.300 -0.123 3.765) 3.779 14.385 ( 10.333 1.609 -6.423) 12.272 14.711 ( 0.532 -8.609 6.463) 10.778 15.447 ( 21.587 -6.705 -2.313) 22.723 16.860 ( -5.424 6.699 -9.795) 13.048 17.473 ( 14.965 2.215 -24.715) 28.977 17.727 ( 10.140 0.314 -3.043) 10.592 18.624 ( 11.815 4.140 -7.102) 14.393 19.782 ( -3.522 -5.070 19.864) 20.801 20.311 ( -9.653 -10.481 12.737) 19.111 22.111 ( -12.921 1.545 -2.822) 13.315 22.718 ( -0.750 -4.108 -3.300) 5.323 ======================= Grid point 138 (70/260) ======================= q-point: (-0.10 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -7.612 15.864 7.712) 19.211 1.729 ( 7.654 24.195 7.968) 26.598 2.890 ( -6.384 13.247 1.461) 14.777 3.183 ( -2.556 -13.064 -7.448) 15.253 3.424 ( -3.396 0.290 13.470) 13.894 3.997 ( -1.209 12.295 -0.111) 12.355 4.457 ( 0.496 6.607 -6.797) 9.492 4.714 ( 1.480 -0.566 4.007) 4.309 5.165 ( -8.050 9.663 2.629) 12.848 5.774 ( 2.825 4.888 4.543) 7.246 5.977 ( 3.793 -4.274 -3.585) 6.746 6.389 ( -0.519 0.910 6.623) 6.705 6.675 ( -16.220 8.158 6.615) 19.324 7.545 ( 1.236 -8.713 -5.240) 10.242 8.083 ( 20.392 -3.607 -7.006) 21.862 8.545 ( 12.829 -0.349 7.869) 15.054 8.965 ( -1.442 2.858 -2.807) 4.257 9.300 ( -8.135 -4.994 8.323) 12.664 10.251 ( -8.894 16.080 -16.048) 24.397 10.937 ( 2.378 -3.146 -5.684) 6.918 11.795 ( -1.613 15.160 17.572) 23.264 12.910 ( 6.921 6.164 -0.991) 9.321 13.216 ( -3.412 -7.443 4.053) 9.136 13.396 ( -6.656 -2.224 2.529) 7.459 13.940 ( 0.041 -1.649 4.598) 4.885 14.613 ( 3.053 -4.037 -1.642) 5.321 14.760 ( 11.981 -1.784 -7.134) 14.058 15.844 ( 14.197 -1.024 -2.698) 14.488 16.775 ( -1.261 6.854 -9.562) 11.832 17.759 ( 7.622 -1.909 -8.308) 11.435 17.930 ( 14.252 -3.698 -25.197) 29.184 18.857 ( 7.372 1.900 -10.688) 13.122 19.697 ( -3.957 -1.182 24.070) 24.422 20.067 ( -12.761 -5.152 21.700) 25.696 21.813 ( -14.493 5.937 -0.796) 15.682 22.690 ( -1.611 -6.585 -3.248) 7.517 ======================= Grid point 139 (71/260) ======================= q-point: ( 0.00 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 1.969 11.719 4.765) 12.803 2.081 ( 1.225 2.797 4.634) 5.550 2.960 ( -1.343 -4.078 -1.012) 4.411 3.068 ( 1.844 0.159 0.652) 1.963 3.535 ( 0.902 15.963 8.863) 18.281 3.970 ( -0.566 -9.603 -0.748) 9.649 4.706 ( 1.494 3.260 6.324) 7.270 4.806 ( 4.448 11.348 0.463) 12.197 5.160 ( -4.199 2.835 5.631) 7.575 5.696 ( -7.582 -11.302 -1.343) 13.675 5.951 ( 6.353 0.559 2.894) 7.004 6.471 ( 0.346 4.136 0.101) 4.151 6.687 ( -2.613 7.863 2.664) 8.704 7.353 ( 0.183 -8.016 -4.303) 9.100 8.462 ( 2.372 3.885 -6.521) 7.952 8.565 ( -0.759 -4.684 -9.359) 10.493 8.919 ( -6.880 5.464 10.464) 13.663 9.078 ( 4.539 -8.169 12.168) 15.343 10.435 ( -1.657 12.961 -10.244) 16.603 10.808 ( -1.400 -8.141 -10.530) 13.383 12.157 ( 5.145 14.925 18.549) 24.358 12.777 ( -0.154 -14.935 6.982) 16.487 13.238 ( 2.647 3.345 -8.822) 9.799 13.374 ( 1.125 2.911 5.144) 6.016 13.908 ( -1.945 -0.971 9.351) 9.601 14.449 ( -4.331 -3.495 -0.580) 5.596 14.996 ( 9.471 -2.451 -4.422) 10.736 15.975 ( -2.412 1.207 -12.986) 13.263 16.929 ( 4.233 3.789 -0.629) 5.715 17.686 ( -4.336 -2.810 -5.748) 7.729 18.293 ( 18.702 -0.549 -30.235) 35.556 18.655 ( -22.716 -1.077 -22.939) 32.301 19.644 ( -10.573 0.378 25.082) 27.222 19.982 ( 13.427 -0.217 32.321) 35.000 21.793 ( -0.723 5.881 -0.833) 5.983 22.523 ( -1.471 -4.925 -3.586) 6.267 ======================= Grid point 140 (72/260) ======================= q-point: ( 0.10 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 5.452 9.211 6.820) 12.692 2.110 ( 1.549 6.907 5.884) 9.205 2.918 ( -1.417 -3.915 -3.965) 5.749 3.057 ( -2.673 -3.827 2.097) 5.118 3.573 ( 1.783 14.992 5.112) 15.939 4.013 ( 4.360 -9.903 2.175) 11.037 4.724 ( -0.794 7.979 2.090) 8.286 4.834 ( 0.262 9.356 6.208) 11.231 5.219 ( 8.290 0.511 3.259) 8.923 5.521 ( -7.886 -9.575 -3.418) 12.867 6.065 ( 4.166 -1.256 2.222) 4.886 6.463 ( -1.071 4.722 1.052) 4.955 6.747 ( 7.345 6.906 0.708) 10.106 7.365 ( 0.053 -7.054 -2.640) 7.532 8.095 ( -17.475 -1.546 -9.684) 20.039 8.570 ( -21.107 -0.112 15.357) 26.103 8.849 ( 10.241 1.067 -5.308) 11.584 9.277 ( 7.838 -2.081 7.668) 11.160 10.457 ( 4.058 12.180 -10.452) 16.555 10.797 ( 0.800 -7.149 -9.847) 12.195 12.309 ( 8.757 14.597 17.617) 24.497 12.813 ( 3.022 -13.131 6.740) 15.066 13.252 ( -0.433 3.519 -3.202) 4.777 13.442 ( 4.689 2.616 2.336) 5.856 13.888 ( -0.152 -3.394 7.726) 8.440 14.359 ( -4.214 -3.774 -3.584) 6.697 15.024 ( -7.835 -2.035 7.090) 10.761 15.839 ( -9.338 2.292 -12.585) 15.838 16.970 ( -1.039 6.547 -0.497) 6.647 17.608 ( -2.499 -4.465 -14.294) 15.182 17.923 ( -31.417 -2.278 -22.797) 38.884 18.778 ( 15.859 -1.095 -20.830) 26.203 19.363 ( -14.457 -0.346 23.154) 27.299 20.307 ( 13.428 0.124 27.932) 30.992 21.895 ( 9.794 5.069 -1.893) 11.189 22.525 ( 1.543 -4.887 -5.257) 7.342 ======================= Grid point 141 (73/260) ======================= q-point: ( 0.20 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( -1.193 8.842 10.315) 13.638 2.171 ( 4.315 8.192 5.739) 10.893 2.924 ( 0.988 -6.606 -6.935) 9.629 3.010 ( 0.457 -6.128 0.777) 6.194 3.591 ( 0.191 10.000 -2.404) 10.287 4.093 ( 1.504 -8.635 5.974) 10.607 4.710 ( 1.139 13.042 1.703) 13.202 4.859 ( 1.435 -0.076 1.718) 2.240 5.310 ( -3.416 -2.516 1.971) 4.678 5.500 ( 8.745 -1.187 -2.638) 9.211 6.143 ( 3.753 -0.212 0.510) 3.794 6.405 ( -4.918 4.687 3.049) 7.446 6.943 ( 10.075 3.225 -1.539) 10.690 7.299 ( -5.558 -4.074 -4.029) 7.983 7.884 ( -4.941 -1.305 0.931) 5.195 8.136 ( -17.545 -2.537 13.878) 22.514 8.931 ( -1.757 4.402 -3.299) 5.775 9.344 ( -1.606 -2.011 5.371) 5.956 10.582 ( 7.281 9.711 -8.624) 14.889 10.850 ( 4.672 -3.277 -9.738) 11.286 12.496 ( 8.491 12.907 13.908) 20.788 12.873 ( 2.170 -5.170 5.615) 7.935 13.263 ( 2.494 1.091 0.107) 2.724 13.533 ( 3.518 -2.193 3.304) 5.302 13.890 ( -0.252 -2.655 4.472) 5.207 14.282 ( -3.134 -5.212 -3.800) 7.172 14.721 ( -19.211 0.838 9.990) 21.670 15.572 ( -16.863 0.288 1.338) 16.918 16.904 ( -4.345 5.696 -11.691) 13.711 17.406 ( -16.907 -2.909 -19.727) 26.143 17.602 ( 1.620 -1.265 -18.321) 18.436 18.997 ( 4.864 -0.601 -20.709) 21.281 19.114 ( -8.470 -2.102 26.785) 28.170 20.489 ( 3.987 -1.277 24.336) 24.693 22.129 ( 11.379 2.602 -2.959) 12.042 22.569 ( 2.451 -3.623 -6.631) 7.944 ======================= Grid point 142 (74/260) ======================= q-point: ( 0.30 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -2.501 10.376 11.603) 15.766 2.220 ( -0.800 -4.089 7.586) 8.655 2.947 ( 3.153 1.330 -5.785) 6.722 3.113 ( 7.708 -10.107 -6.327) 14.199 3.591 ( -0.083 8.282 -5.455) 9.917 4.048 ( -5.228 -8.124 3.148) 10.160 4.756 ( 0.914 4.826 2.472) 5.499 4.906 ( 4.336 0.650 -4.902) 6.577 5.233 ( -2.617 -0.553 0.262) 2.687 5.690 ( 7.717 2.279 0.217) 8.049 6.192 ( -1.158 2.453 -1.964) 3.349 6.297 ( -2.922 2.721 7.307) 8.327 7.017 ( -3.027 -0.141 -2.651) 4.026 7.307 ( 3.406 -0.985 1.680) 3.923 7.638 ( -9.838 -1.250 8.153) 12.838 8.105 ( 8.134 -1.594 9.452) 12.572 8.815 ( -8.372 6.560 -3.865) 11.316 9.225 ( -9.518 -4.188 5.767) 11.891 10.713 ( 5.174 8.060 -6.005) 11.305 10.970 ( 6.357 1.326 -9.787) 11.746 12.623 ( 2.835 10.468 9.970) 14.732 12.911 ( 2.196 2.768 5.096) 6.201 13.362 ( 6.281 -1.281 0.415) 6.424 13.563 ( -1.098 -8.158 5.238) 9.757 13.859 ( -2.882 0.494 1.527) 3.298 14.227 ( -2.880 -8.730 0.350) 9.200 14.359 ( -12.855 3.354 4.985) 14.190 15.201 ( -17.585 -3.376 7.865) 19.557 16.813 ( -3.863 2.241 -15.676) 16.300 17.166 ( -7.685 -0.673 -8.618) 11.567 17.685 ( 6.744 4.633 -26.132) 27.383 18.867 ( -10.873 6.300 -13.984) 18.801 19.156 ( 6.105 -9.505 19.442) 22.486 20.499 ( -2.820 -4.162 22.776) 23.324 22.321 ( 7.014 0.885 -3.943) 8.095 22.611 ( 1.685 -2.081 -6.777) 7.286 ======================= Grid point 143 (75/260) ======================= q-point: ( 0.40 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 0.170 3.667 11.435) 12.010 2.151 ( -4.970 -9.431 8.545) 13.662 3.053 ( 6.268 6.617 -7.186) 11.607 3.264 ( 5.695 -7.572 -9.483) 13.406 3.594 ( 1.071 5.591 -3.367) 6.614 3.915 ( -7.213 -9.974 0.202) 12.311 4.723 ( -3.112 -0.642 -7.457) 8.106 5.010 ( 4.502 2.920 -9.176) 10.630 5.227 ( 2.058 0.675 6.034) 6.411 5.785 ( 1.522 2.741 2.963) 4.314 6.123 ( -2.281 2.615 -0.737) 3.547 6.283 ( -1.199 2.343 8.435) 8.836 6.966 ( -0.766 1.669 3.046) 3.557 7.136 ( -12.180 -1.519 9.551) 15.552 7.806 ( 17.547 0.070 -1.948) 17.655 8.256 ( 2.482 1.180 4.966) 5.676 8.666 ( -2.692 4.756 1.290) 5.616 8.981 ( -13.607 -5.684 7.218) 16.418 10.793 ( 2.906 7.035 -4.074) 8.633 11.074 ( 3.407 4.597 -9.176) 10.814 12.619 ( -2.586 9.325 7.006) 11.947 12.960 ( 1.635 2.095 5.928) 6.496 13.400 ( -4.834 -5.748 -3.340) 8.220 13.586 ( 6.485 0.213 5.439) 8.467 13.792 ( -3.537 -1.396 2.607) 4.610 14.129 ( -3.545 -4.054 1.193) 5.516 14.274 ( 0.887 -3.626 2.292) 4.381 14.893 ( -12.232 -5.355 8.413) 15.782 16.759 ( -0.866 1.321 -11.854) 11.959 17.054 ( -3.222 0.216 -4.363) 5.428 17.855 ( 9.573 8.014 -28.439) 31.059 18.607 ( -13.924 8.836 -19.032) 25.183 19.313 ( 8.621 -10.625 21.467) 25.456 20.407 ( -5.917 -7.273 21.662) 23.604 22.417 ( 2.724 -0.253 -4.880) 5.594 22.638 ( 1.058 -0.744 -5.918) 6.058 ======================= Grid point 144 (76/260) ======================= q-point: (-0.50 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -0.357 -5.686 11.123) 12.497 2.073 ( -1.108 -4.961 7.952) 9.438 3.149 ( 1.255 4.941 -7.522) 9.087 3.299 ( -1.057 4.584 -10.286) 11.311 3.669 ( 5.431 -4.488 -1.889) 7.294 3.763 ( -6.715 -10.175 -0.713) 12.212 4.657 ( -2.587 -0.341 -14.056) 14.296 5.076 ( 1.778 3.223 -8.749) 9.492 5.292 ( 3.585 0.126 6.299) 7.249 5.768 ( -3.074 2.129 5.844) 6.937 6.132 ( 2.692 2.318 2.720) 4.474 6.254 ( -0.203 2.876 6.935) 7.511 6.942 ( -5.100 0.806 6.186) 8.057 6.999 ( 1.981 0.448 6.145) 6.472 8.063 ( -4.213 6.816 -2.835) 8.500 8.258 ( 10.483 -3.002 -2.406) 11.166 8.624 ( -10.910 0.947 9.459) 14.471 8.842 ( 7.993 -4.596 9.400) 13.167 10.841 ( 1.999 6.427 -2.600) 7.216 11.099 ( -0.888 6.065 -9.095) 10.968 12.545 ( -4.270 8.372 4.552) 10.442 12.973 ( 0.003 -0.046 5.877) 5.877 13.290 ( -4.714 -3.240 -5.930) 8.239 13.678 ( -3.560 0.438 1.961) 4.088 13.765 ( 5.283 -0.615 6.148) 8.130 14.120 ( 2.098 -4.123 -1.139) 4.764 14.319 ( 3.019 -4.554 4.801) 7.274 14.711 ( -5.217 -6.206 6.546) 10.420 16.779 ( 2.906 1.182 -7.940) 8.537 17.042 ( 2.343 0.833 -2.190) 3.314 18.017 ( 3.490 8.279 -28.604) 29.982 18.335 ( -8.995 9.233 -20.874) 24.533 19.497 ( 8.301 -8.725 21.873) 24.969 20.288 ( -5.388 -9.524 19.519) 22.377 22.444 ( 0.137 -0.786 -5.238) 5.298 22.656 ( 0.866 -0.046 -4.951) 5.026 ======================= Grid point 145 (77/260) ======================= q-point: (-0.40 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( -1.896 -0.265 10.086) 10.266 2.123 ( 4.171 -6.738 7.753) 11.086 3.050 ( -8.676 3.889 -6.671) 11.615 3.281 ( -2.218 1.143 -12.495) 12.742 3.598 ( -5.312 -3.905 1.431) 6.746 3.843 ( 7.930 -6.146 -2.995) 10.470 4.634 ( 0.825 0.250 -14.767) 14.792 5.040 ( -5.613 2.632 3.717) 7.228 5.389 ( 5.940 0.737 -2.927) 6.663 5.664 ( -6.745 1.306 4.757) 8.356 6.187 ( 1.734 3.694 4.368) 5.977 6.323 ( 5.499 2.847 7.528) 9.748 6.896 ( 1.536 1.009 -0.080) 1.839 7.082 ( 5.782 -0.768 6.326) 8.605 7.892 ( -7.127 2.637 -6.821) 10.211 8.195 ( -16.681 -5.044 16.261) 23.835 8.699 ( 15.766 7.469 -2.919) 17.689 9.065 ( 10.865 -5.946 11.270) 16.746 10.873 ( 0.788 6.716 -2.009) 7.054 11.040 ( -4.433 5.463 -9.785) 12.051 12.455 ( -4.675 8.094 3.094) 9.846 12.963 ( -1.237 6.856 1.466) 7.119 13.224 ( -1.236 -7.032 -4.163) 8.265 13.557 ( -6.901 -6.484 3.288) 10.024 13.875 ( 4.464 0.721 3.860) 5.946 14.178 ( 2.253 -2.895 2.776) 4.601 14.410 ( 6.227 -0.453 4.969) 7.979 14.698 ( 4.214 -7.445 1.558) 8.695 16.866 ( 5.330 1.111 -5.216) 7.540 17.150 ( 7.781 0.829 -1.813) 8.033 17.872 ( -11.982 8.887 -29.086) 32.689 18.359 ( 6.933 5.417 -16.890) 19.044 19.640 ( 5.098 -5.179 21.409) 22.609 20.214 ( -1.859 -9.991 16.170) 19.098 22.418 ( -2.725 -0.594 -4.988) 5.715 22.674 ( 0.944 -0.175 -4.033) 4.146 ======================= Grid point 146 (78/260) ======================= q-point: (-0.30 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 1.184 8.540 8.880) 12.377 2.178 ( -0.436 -1.569 5.937) 6.157 2.889 ( -4.981 -2.532 -5.858) 8.095 3.166 ( -7.563 -7.134 -9.463) 14.059 3.551 ( -0.160 3.738 -0.180) 3.746 3.991 ( 6.196 -2.942 -2.254) 7.220 4.667 ( 1.251 2.708 -9.309) 9.775 4.884 ( -7.929 1.537 5.666) 9.866 5.466 ( -2.431 -1.574 8.524) 9.002 5.563 ( 1.081 2.110 -8.380) 8.709 6.174 ( -3.581 5.666 2.974) 7.333 6.406 ( 2.081 2.416 7.809) 8.435 7.026 ( 10.422 0.325 -6.060) 12.060 7.234 ( 7.801 -1.946 3.530) 8.780 7.757 ( -11.905 -1.861 4.266) 12.782 7.932 ( -0.189 -2.039 8.909) 9.142 8.988 ( 11.022 10.323 0.652) 15.116 9.255 ( 6.879 -8.385 9.482) 14.406 10.832 ( -5.968 7.738 -6.099) 11.519 10.951 ( -2.796 2.490 -7.307) 8.211 12.338 ( -6.957 9.881 3.331) 12.535 12.939 ( -0.788 10.548 -0.328) 10.582 13.203 ( -2.230 -10.323 -2.913) 10.955 13.432 ( -4.160 -8.420 4.161) 10.272 13.972 ( 4.841 1.817 3.106) 6.032 14.210 ( 2.446 -2.280 0.937) 3.473 14.533 ( 4.154 -1.760 9.110) 10.165 14.916 ( 17.516 -4.493 -4.679) 18.679 16.968 ( 3.348 1.153 -3.657) 5.090 17.322 ( 7.949 0.923 -10.173) 12.943 17.689 ( -2.856 6.193 -23.920) 24.874 18.499 ( 6.771 1.884 -8.024) 10.667 19.717 ( 2.260 -1.872 18.771) 18.999 20.202 ( -0.468 -8.020 14.378) 16.471 22.321 ( -6.786 -0.045 -4.168) 7.964 22.684 ( -0.181 -0.835 -3.151) 3.264 ======================= Grid point 147 (79/260) ======================= q-point: (-0.20 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 0.808 9.106 6.840) 11.417 2.098 ( -5.321 10.844 2.186) 12.275 2.873 ( 2.444 -8.332 -2.635) 9.074 3.036 ( -3.728 -6.689 -4.103) 8.688 3.553 ( -0.095 4.670 0.070) 4.671 4.072 ( 0.817 -2.047 0.798) 2.344 4.642 ( -1.808 8.904 -0.289) 9.091 4.773 ( -3.532 -0.293 -1.007) 3.684 5.403 ( -2.071 -1.262 5.928) 6.405 5.614 ( 2.180 -0.577 0.883) 2.421 6.064 ( -6.170 4.025 -2.593) 7.809 6.427 ( 0.505 1.583 4.283) 4.594 7.122 ( -7.899 6.302 4.686) 11.138 7.357 ( 3.122 -6.674 0.812) 7.412 7.633 ( 9.616 -2.678 -7.701) 12.608 8.153 ( 17.529 -1.727 10.570) 20.542 9.121 ( 1.260 8.779 0.790) 8.904 9.320 ( -1.246 -6.852 8.597) 11.064 10.667 ( -8.444 6.949 -8.999) 14.162 10.902 ( -2.495 -0.094 -7.250) 7.668 12.192 ( -6.408 12.063 7.432) 15.550 12.908 ( -3.187 0.337 2.915) 4.332 13.144 ( -1.458 -4.256 -4.270) 6.203 13.393 ( -0.679 -5.021 3.147) 5.964 14.011 ( -1.432 3.341 7.914) 8.709 14.371 ( 13.254 -1.558 -8.694) 15.928 14.575 ( 0.269 -4.211 7.866) 8.927 15.374 ( 25.292 -1.408 -3.694) 25.599 16.952 ( -4.169 2.449 -8.441) 9.727 17.502 ( 11.694 0.705 -23.067) 25.872 17.741 ( 4.833 0.688 -11.581) 12.568 18.665 ( 10.491 0.554 -0.734) 10.531 19.736 ( -1.029 -0.251 16.381) 16.415 20.157 ( -4.917 -4.666 16.450) 17.791 22.139 ( -10.620 1.000 -2.710) 11.006 22.654 ( -2.758 -1.941 -2.547) 4.226 ======================= Grid point 148 (80/260) ======================= q-point: (-0.10 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -4.080 10.040 3.549) 11.403 2.060 ( 0.675 8.040 3.471) 8.783 2.936 ( 3.112 -2.781 -0.599) 4.216 3.023 ( 1.556 -4.375 -0.402) 4.661 3.541 ( -0.978 8.279 4.025) 9.258 4.025 ( -3.987 -4.994 2.127) 6.735 4.671 ( 3.558 9.916 -0.800) 10.565 4.722 ( -0.149 1.169 1.986) 2.310 5.310 ( -7.746 5.049 6.525) 11.316 5.702 ( 6.155 -9.452 5.774) 12.671 5.939 ( -5.484 1.988 -4.694) 7.488 6.447 ( 1.433 2.452 0.148) 2.843 6.859 ( -12.974 7.946 7.194) 16.829 7.364 ( -0.848 -7.661 -3.262) 8.369 8.031 ( 23.710 -1.469 -11.523) 26.403 8.541 ( 17.267 -0.043 11.613) 20.809 9.008 ( -11.463 1.288 -5.453) 12.759 9.222 ( -7.767 -2.408 12.929) 15.273 10.516 ( -5.768 9.709 -9.455) 14.729 10.849 ( -2.315 -4.953 -9.815) 11.235 12.111 ( -1.130 13.816 14.351) 19.953 12.822 ( -4.049 -11.579 6.064) 13.683 13.168 ( 3.200 3.230 -7.691) 8.934 13.379 ( -0.851 -0.995 3.792) 4.012 13.959 ( -2.984 1.863 9.279) 9.924 14.524 ( -2.313 -3.300 2.724) 4.865 14.715 ( 15.902 -2.025 -9.816) 18.797 15.841 ( 16.775 0.193 -4.161) 17.285 16.878 ( -0.928 3.042 -8.997) 9.542 17.738 ( 2.668 -0.339 -3.889) 4.728 17.867 ( 16.113 -2.183 -31.700) 35.627 18.882 ( 5.484 0.621 -10.519) 11.878 19.687 ( -1.911 -0.082 23.698) 23.775 20.002 ( -9.460 -1.643 22.855) 24.790 21.915 ( -9.934 3.441 -1.131) 10.573 22.581 ( -3.777 -3.566 -2.602) 5.810 ======================= Grid point 189 (81/260) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -4.713 0.000 26.374) 26.792 1.234 ( 13.952 0.000 29.425) 32.565 1.988 ( -7.868 0.000 37.094) 37.920 3.274 ( 1.579 0.000 5.179) 5.415 3.701 ( -7.292 0.000 -5.466) 9.113 3.762 ( -2.051 0.000 5.820) 6.170 4.103 ( 10.483 0.000 -2.026) 10.677 4.304 ( 2.549 0.000 -18.973) 19.144 4.949 ( 11.914 0.000 4.093) 12.598 5.470 ( -0.496 0.000 3.125) 3.164 6.149 ( -7.181 0.000 16.375) 17.880 6.221 ( -13.564 0.000 10.730) 17.295 6.939 ( 0.527 0.000 9.259) 9.274 7.770 ( 0.069 0.000 -7.769) 7.769 7.998 ( 2.008 0.000 -2.590) 3.278 8.465 ( 9.023 0.000 -21.942) 23.725 8.634 ( -1.418 0.000 -8.605) 8.721 8.708 ( -3.989 0.000 -9.732) 10.518 9.925 ( -1.240 0.000 12.306) 12.368 10.865 ( -2.108 0.000 -7.581) 7.869 12.578 ( 5.205 0.000 -0.900) 5.282 13.001 ( -16.400 0.000 3.812) 16.837 13.133 ( -0.733 0.000 5.070) 5.123 13.661 ( 8.174 0.000 -0.875) 8.220 13.949 ( 21.968 0.000 6.279) 22.848 14.443 ( 2.196 0.000 -2.174) 3.090 14.947 ( 3.426 0.000 3.758) 5.085 15.448 ( -21.304 0.000 0.184) 21.304 16.283 ( -5.319 0.000 -11.666) 12.822 17.741 ( 8.730 0.000 -25.211) 26.680 18.056 ( -1.775 0.000 -1.659) 2.430 18.820 ( 8.665 0.000 -9.326) 12.730 20.074 ( 4.633 0.000 16.963) 17.585 20.737 ( -17.717 0.000 14.894) 23.146 21.321 ( 5.506 0.000 1.526) 5.714 22.826 ( 1.064 0.000 -7.380) 7.457 ======================= Grid point 190 (82/260) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 16.558 0.000 22.533) 27.962 1.398 ( 4.424 0.000 27.409) 27.764 2.208 ( 24.817 0.000 23.961) 34.497 3.303 ( 1.047 0.000 6.248) 6.335 3.537 ( -6.501 0.000 3.141) 7.219 3.735 ( -1.739 0.000 -14.252) 14.358 4.301 ( 2.627 0.000 -4.834) 5.502 4.406 ( 13.175 0.000 -2.510) 13.412 5.037 ( -1.134 0.000 3.910) 4.071 5.429 ( -3.609 0.000 5.744) 6.784 6.038 ( -8.254 0.000 16.339) 18.306 6.353 ( 25.307 0.000 -0.171) 25.308 6.913 ( -3.238 0.000 9.834) 10.354 7.741 ( -2.794 0.000 -7.507) 8.010 7.970 ( -4.425 0.000 -0.247) 4.432 8.433 ( -8.990 0.000 -13.100) 15.888 8.650 ( -2.534 0.000 -7.024) 7.467 8.742 ( 10.028 0.000 -14.091) 17.295 9.873 ( -3.270 0.000 10.420) 10.921 10.768 ( -7.234 0.000 -7.231) 10.228 12.481 ( -17.500 0.000 15.634) 23.466 12.812 ( 2.382 0.000 1.663) 2.905 13.102 ( -4.360 0.000 6.865) 8.133 13.610 ( -4.930 0.000 3.214) 5.885 14.206 ( 3.964 0.000 2.975) 4.956 14.383 ( -4.942 0.000 -2.381) 5.486 14.992 ( -3.015 0.000 3.668) 4.748 15.362 ( 13.298 0.000 -2.969) 13.626 16.213 ( -1.364 0.000 -15.584) 15.643 17.748 ( -7.316 0.000 -20.555) 21.818 17.928 ( -10.104 0.000 -0.078) 10.104 18.897 ( -4.654 0.000 -10.797) 11.757 20.156 ( 2.310 0.000 19.750) 19.885 20.566 ( 4.492 0.000 6.462) 7.870 21.624 ( 18.345 0.000 -3.027) 18.593 22.834 ( -0.291 0.000 -7.115) 7.121 ======================= Grid point 191 (83/260) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 14.543 0.000 14.027) 20.205 1.643 ( 24.280 0.000 15.953) 29.052 2.785 ( 27.623 0.000 8.015) 28.762 3.307 ( -1.033 0.000 6.821) 6.898 3.463 ( -0.580 0.000 -0.235) 0.626 3.684 ( -2.531 0.000 -21.261) 21.411 4.324 ( 1.390 0.000 -4.345) 4.562 4.734 ( 17.159 0.000 8.488) 19.143 5.015 ( -1.782 0.000 0.925) 2.008 5.372 ( -0.482 0.000 11.513) 11.523 5.858 ( -8.583 0.000 11.151) 14.072 6.807 ( -5.554 0.000 9.323) 10.852 6.901 ( 21.662 0.000 -7.970) 23.082 7.650 ( -6.070 0.000 -5.249) 8.025 7.839 ( -7.668 0.000 4.032) 8.663 8.178 ( -15.795 0.000 -5.341) 16.673 8.614 ( 0.659 0.000 -5.628) 5.667 8.958 ( 11.078 0.000 -12.568) 16.753 9.823 ( -1.484 0.000 6.796) 6.957 10.575 ( -11.070 0.000 -4.766) 12.052 12.165 ( -11.004 0.000 24.015) 26.416 12.723 ( -14.333 0.000 4.231) 14.945 13.082 ( 6.784 0.000 5.308) 8.614 13.653 ( 8.093 0.000 -2.665) 8.520 14.261 ( 0.506 0.000 4.764) 4.791 14.324 ( 0.282 0.000 -2.552) 2.568 14.987 ( 1.882 0.000 2.897) 3.455 15.591 ( 7.689 0.000 -12.370) 14.565 16.205 ( 0.498 0.000 -13.704) 13.713 17.479 ( -16.551 0.000 -13.744) 21.514 17.677 ( -14.262 0.000 1.324) 14.323 18.587 ( -22.951 0.000 -4.478) 23.383 20.264 ( 7.461 0.000 11.469) 13.682 20.789 ( 13.789 0.000 3.016) 14.115 21.946 ( 12.604 0.000 -7.300) 14.566 22.808 ( -2.261 0.000 -7.094) 7.446 ======================= Grid point 192 (84/260) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 18.327 0.000 1.805) 18.416 2.181 ( 25.882 0.000 10.170) 27.809 3.091 ( -3.258 0.000 -0.159) 3.262 3.430 ( 14.775 0.000 -6.858) 16.289 3.452 ( -0.907 0.000 3.293) 3.415 3.690 ( 6.149 0.000 -23.144) 23.946 4.351 ( 0.323 0.000 -2.061) 2.086 4.910 ( -7.141 0.000 0.028) 7.141 5.104 ( 17.515 0.000 12.088) 21.282 5.445 ( 6.579 0.000 13.808) 15.295 5.737 ( -2.184 0.000 8.158) 8.445 6.644 ( -9.452 0.000 12.385) 15.580 7.191 ( 5.136 0.000 -9.811) 11.074 7.500 ( -7.508 0.000 -0.821) 7.553 7.655 ( -11.716 0.000 5.705) 13.031 7.817 ( -17.033 0.000 -1.039) 17.065 8.745 ( 13.132 0.000 -2.532) 13.374 9.187 ( 11.224 0.000 -10.029) 15.052 9.805 ( -0.900 0.000 3.676) 3.785 10.326 ( -13.049 0.000 -2.627) 13.311 12.039 ( -2.546 0.000 24.025) 24.159 12.396 ( -15.507 0.000 1.014) 15.540 13.283 ( 11.529 0.000 -0.170) 11.530 13.851 ( 9.590 0.000 -4.394) 10.549 14.231 ( -1.296 0.000 -6.615) 6.741 14.377 ( 2.786 0.000 5.304) 5.991 15.041 ( 2.985 0.000 3.310) 4.457 15.675 ( 0.675 0.000 -18.919) 18.931 16.218 ( 0.521 0.000 -5.993) 6.015 17.149 ( -13.520 0.000 -5.446) 14.576 17.351 ( -16.892 0.000 -0.619) 16.904 18.065 ( -25.852 0.000 -2.639) 25.986 20.411 ( 5.914 0.000 6.194) 8.564 21.070 ( 12.861 0.000 2.979) 13.201 22.153 ( 8.271 0.000 -8.132) 11.599 22.736 ( -4.587 0.000 -7.547) 8.832 ======================= Grid point 193 (85/260) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 18.893 0.000 -5.679) 19.728 2.641 ( 14.939 0.000 2.757) 15.192 2.927 ( -7.591 0.000 -3.693) 8.442 3.324 ( -7.687 0.000 -3.528) 8.458 3.704 ( 9.503 0.000 -11.165) 14.662 3.946 ( 15.143 0.000 -12.343) 19.536 4.280 ( -8.275 0.000 -3.931) 9.162 4.754 ( -7.002 0.000 -3.670) 7.906 5.448 ( 14.266 0.000 14.074) 20.040 5.603 ( 8.532 0.000 11.732) 14.506 5.788 ( 6.157 0.000 9.930) 11.684 6.430 ( -11.483 0.000 14.424) 18.437 7.127 ( -8.702 0.000 -2.265) 8.992 7.285 ( -15.469 0.000 8.888) 17.841 7.455 ( -5.097 0.000 -1.594) 5.340 7.580 ( -3.961 0.000 -3.220) 5.105 9.118 ( 21.397 0.000 0.418) 21.401 9.403 ( 9.588 0.000 -6.632) 11.658 9.758 ( -4.482 0.000 1.961) 4.892 10.042 ( -14.350 0.000 -2.690) 14.600 11.999 ( -5.274 0.000 21.259) 21.903 12.154 ( -4.851 0.000 -0.043) 4.851 13.524 ( 10.793 0.000 -7.349) 13.058 13.994 ( 3.776 0.000 -5.703) 6.840 14.249 ( 3.926 0.000 -9.832) 10.587 14.422 ( 1.935 0.000 5.696) 6.016 15.102 ( 2.454 0.000 4.412) 5.049 15.589 ( -9.187 0.000 -18.317) 20.492 16.219 ( -0.039 0.000 1.099) 1.100 16.946 ( -11.034 0.000 -3.421) 11.552 17.055 ( -5.655 0.000 -0.780) 5.708 17.591 ( -18.926 0.000 -5.529) 19.717 20.497 ( 2.413 0.000 4.007) 4.678 21.301 ( 9.310 0.000 4.375) 10.287 22.302 ( 6.657 0.000 -8.517) 10.810 22.619 ( -6.652 0.000 -8.675) 10.932 ======================= Grid point 194 (86/260) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( -16.935 0.000 -8.581) 18.985 2.651 ( 16.307 0.000 -9.413) 18.829 2.947 ( -5.124 0.000 -5.294) 7.368 3.262 ( 7.193 0.000 1.071) 7.272 3.881 ( 7.654 0.000 -5.921) 9.677 4.030 ( -13.567 0.000 -6.203) 14.918 4.176 ( 5.006 0.000 -4.919) 7.019 4.609 ( -7.095 0.000 -10.988) 13.080 5.610 ( -0.017 0.000 9.515) 9.515 5.794 ( 6.575 0.000 13.274) 14.813 5.907 ( 2.337 0.000 12.845) 13.056 6.236 ( -3.067 0.000 14.576) 14.895 6.964 ( -4.140 0.000 1.856) 4.537 7.054 ( -5.666 0.000 4.510) 7.242 7.336 ( -3.290 0.000 2.911) 4.393 7.666 ( 9.067 0.000 -4.691) 10.209 9.514 ( 6.472 0.000 1.487) 6.641 9.533 ( -3.694 0.000 -3.923) 5.389 9.645 ( 5.612 0.000 3.056) 6.390 9.793 ( -5.318 0.000 -5.259) 7.479 11.834 ( -8.037 0.000 10.159) 12.954 12.178 ( 3.693 0.000 9.493) 10.186 13.656 ( 1.464 0.000 -7.936) 8.070 14.001 ( -3.139 0.000 -8.841) 9.382 14.384 ( 5.703 0.000 -9.359) 10.960 14.524 ( 12.077 0.000 0.873) 12.109 15.072 ( -8.833 0.000 0.172) 8.834 15.373 ( -6.468 0.000 -3.485) 7.347 16.217 ( -0.910 0.000 -1.969) 2.169 16.683 ( -10.726 0.000 -3.362) 11.241 17.142 ( 9.554 0.000 0.793) 9.587 17.335 ( -4.530 0.000 -9.243) 10.293 20.513 ( -0.814 0.000 3.096) 3.201 21.447 ( 4.724 0.000 6.410) 7.962 22.419 ( 2.076 0.000 -8.856) 9.096 22.477 ( -4.096 0.000 -10.166) 10.960 ======================= Grid point 195 (87/260) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( -22.203 0.000 -10.474) 24.550 2.680 ( -17.300 0.000 0.536) 17.309 2.954 ( 12.309 0.000 -9.008) 15.253 3.481 ( 10.593 0.000 -6.548) 12.453 3.725 ( -13.205 0.000 -11.443) 17.473 4.021 ( -1.478 0.000 1.833) 2.354 4.107 ( -6.033 0.000 3.931) 7.201 4.506 ( -2.835 0.000 -12.992) 13.298 5.493 ( -9.507 0.000 7.878) 12.347 5.589 ( -18.726 0.000 14.186) 23.493 6.040 ( 6.941 0.000 15.559) 17.037 6.356 ( 9.803 0.000 11.659) 15.233 7.013 ( 7.869 0.000 0.046) 7.869 7.066 ( 6.639 0.000 -1.003) 6.715 7.377 ( 7.334 0.000 2.026) 7.608 7.884 ( 11.133 0.000 -3.057) 11.545 9.159 ( -21.534 0.000 -1.623) 21.595 9.490 ( -9.458 0.000 -5.261) 10.823 9.702 ( 3.447 0.000 -0.889) 3.560 10.087 ( 20.489 0.000 2.889) 20.692 11.715 ( -3.303 0.000 13.151) 13.559 12.260 ( 3.831 0.000 6.917) 7.907 13.612 ( -4.765 0.000 -0.358) 4.778 13.886 ( -6.795 0.000 -8.700) 11.039 14.411 ( -2.221 0.000 -3.504) 4.148 14.667 ( -13.141 0.000 -1.705) 13.251 14.990 ( 13.799 0.000 -10.483) 17.329 15.397 ( 9.314 0.000 -0.356) 9.321 16.162 ( -3.639 0.000 -4.085) 5.471 16.537 ( -4.010 0.000 -6.084) 7.286 17.324 ( 9.472 0.000 0.658) 9.495 17.471 ( 15.129 0.000 -6.504) 16.468 20.468 ( -3.631 0.000 3.009) 4.716 21.492 ( -0.619 0.000 8.625) 8.648 22.280 ( -8.709 0.000 -12.048) 14.866 22.557 ( 5.436 0.000 -8.735) 10.288 ======================= Grid point 196 (88/260) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( -23.796 0.000 -7.397) 24.919 2.268 ( -22.509 0.000 7.779) 23.815 3.132 ( 3.780 0.000 -7.508) 8.406 3.465 ( -12.615 0.000 -0.678) 12.634 3.673 ( 6.223 0.000 -20.086) 21.028 3.727 ( -13.546 0.000 7.052) 15.272 4.144 ( 1.587 0.000 5.453) 5.680 4.429 ( -5.210 0.000 -7.517) 9.146 5.145 ( -19.583 0.000 11.085) 22.503 5.383 ( -3.320 0.000 6.526) 7.321 6.142 ( 3.246 0.000 18.898) 19.175 6.564 ( 9.845 0.000 10.137) 14.131 7.188 ( 7.535 0.000 -8.408) 11.291 7.299 ( 14.384 0.000 -1.704) 14.485 7.610 ( 13.773 0.000 -0.083) 13.773 8.066 ( 4.703 0.000 -5.990) 7.615 8.722 ( -18.479 0.000 -4.073) 18.922 9.269 ( -11.230 0.000 -7.408) 13.453 9.773 ( 3.335 0.000 3.562) 4.879 10.478 ( 16.825 0.000 0.354) 16.828 11.732 ( 5.885 0.000 23.100) 23.837 12.331 ( 3.052 0.000 1.867) 3.577 13.478 ( -7.939 0.000 4.024) 8.900 13.763 ( -4.502 0.000 -3.980) 6.009 14.211 ( -16.229 0.000 0.044) 16.229 14.465 ( -4.009 0.000 -3.274) 5.176 15.127 ( -0.129 0.000 0.058) 0.141 15.775 ( 17.895 0.000 -16.191) 24.133 16.158 ( 8.211 0.000 -5.046) 9.638 16.502 ( 1.586 0.000 -10.603) 10.720 17.581 ( 14.316 0.000 2.000) 14.455 17.824 ( 18.645 0.000 -4.861) 19.269 20.366 ( -6.288 0.000 3.909) 7.404 21.422 ( -6.265 0.000 10.900) 12.572 22.092 ( -9.523 0.000 -13.827) 16.789 22.659 ( 4.552 0.000 -8.466) 9.612 ======================= Grid point 197 (89/260) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -17.922 0.000 4.846) 18.565 1.780 ( -24.456 0.000 14.077) 28.219 2.923 ( -24.801 0.000 10.970) 27.119 3.264 ( -2.865 0.000 5.013) 5.774 3.624 ( 2.645 0.000 -2.185) 3.431 3.787 ( 3.410 0.000 -12.493) 12.951 4.150 ( -1.133 0.000 1.550) 1.920 4.293 ( -6.740 0.000 -8.183) 10.602 4.822 ( -10.846 0.000 8.188) 13.589 5.387 ( 2.687 0.000 4.672) 5.390 6.197 ( 1.790 0.000 21.712) 21.786 6.750 ( 7.821 0.000 9.032) 11.948 7.231 ( -7.207 0.000 -11.197) 13.316 7.605 ( 14.756 0.000 -5.684) 15.812 7.799 ( -1.017 0.000 -1.825) 2.089 8.065 ( 3.910 0.000 -15.852) 16.327 8.546 ( 0.839 0.000 -2.023) 2.191 9.045 ( -10.212 0.000 -10.134) 14.387 9.844 ( 3.481 0.000 8.158) 8.869 10.748 ( 9.126 0.000 -4.927) 10.371 12.032 ( 24.511 0.000 34.932) 42.674 12.393 ( 3.238 0.000 -2.045) 3.830 13.312 ( -7.673 0.000 3.536) 8.449 13.686 ( -4.796 0.000 1.869) 5.147 13.892 ( -12.560 0.000 1.576) 12.658 14.409 ( -1.870 0.000 -1.957) 2.707 15.076 ( -3.970 0.000 1.987) 4.439 15.878 ( -1.856 0.000 -11.711) 11.858 16.379 ( 3.537 0.000 -4.874) 6.022 16.801 ( 29.053 0.000 -25.252) 38.493 17.854 ( 11.168 0.000 3.797) 11.795 18.221 ( 19.645 0.000 -6.233) 20.610 20.216 ( -8.131 0.000 6.573) 10.456 21.249 ( -10.331 0.000 14.038) 17.430 21.863 ( -13.350 0.000 -15.402) 20.382 22.739 ( 3.356 0.000 -8.213) 8.872 ======================= Grid point 198 (90/260) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 2.635 0.000 25.026) 25.164 1.309 ( -20.426 0.000 20.624) 29.027 2.374 ( -25.901 0.000 29.965) 39.608 3.247 ( 0.571 0.000 3.327) 3.376 3.708 ( 3.535 0.000 -1.420) 3.809 3.832 ( 1.045 0.000 0.526) 1.170 4.041 ( -6.391 0.000 -1.699) 6.613 4.254 ( 2.055 0.000 -18.597) 18.710 4.743 ( 3.798 0.000 8.008) 8.863 5.450 ( 2.466 0.000 3.409) 4.207 6.215 ( -0.728 0.000 22.554) 22.566 6.773 ( -27.589 0.000 -6.806) 28.416 6.897 ( 0.581 0.000 7.519) 7.541 7.754 ( 0.780 0.000 -6.685) 6.730 7.877 ( 9.905 0.000 -5.022) 11.105 8.251 ( 10.736 0.000 -18.951) 21.781 8.609 ( 3.338 0.000 -3.649) 4.945 8.851 ( -8.472 0.000 -12.936) 15.463 9.909 ( 2.331 0.000 11.519) 11.752 10.862 ( 2.589 0.000 -6.923) 7.392 12.465 ( 5.123 0.000 -2.411) 5.662 12.769 ( 42.255 0.000 27.985) 50.681 13.183 ( -4.797 0.000 1.455) 5.012 13.478 ( -11.811 0.000 2.946) 12.173 13.787 ( 0.252 0.000 6.926) 6.931 14.395 ( 0.908 0.000 -0.117) 0.915 14.985 ( -4.434 0.000 2.096) 4.905 15.777 ( -8.766 0.000 -11.745) 14.655 16.383 ( -2.550 0.000 -7.043) 7.490 17.391 ( 25.150 0.000 -29.043) 38.419 18.020 ( 4.907 0.000 2.640) 5.572 18.588 ( 14.998 0.000 -8.483) 17.231 20.069 ( -4.857 0.000 12.327) 13.249 21.029 ( -11.013 0.000 18.613) 21.627 21.519 ( -18.849 0.000 -12.905) 22.843 22.795 ( 2.163 0.000 -7.831) 8.124 ======================= Grid point 199 (91/260) ======================= q-point: ( 0.00 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 1.654 17.636 22.438) 28.587 1.410 ( 9.533 15.662 25.486) 31.396 2.128 ( -7.880 14.464 32.958) 36.844 3.286 ( 0.641 -0.675 -4.979) 5.065 3.647 ( -4.513 -2.079 1.379) 5.156 3.776 ( -1.190 1.480 12.918) 13.057 4.079 ( 5.392 -0.203 -8.141) 9.767 4.450 ( 3.512 11.867 -15.949) 20.187 4.930 ( 9.142 -0.892 6.315) 11.147 5.569 ( -1.193 9.207 3.357) 9.872 6.144 ( -3.577 -0.540 16.918) 17.301 6.239 ( -11.299 2.547 9.339) 14.879 6.882 ( -0.032 -6.188 8.442) 10.467 7.638 ( 1.992 -5.812 -7.225) 9.484 8.305 ( -0.505 14.000 -4.336) 14.665 8.481 ( 6.785 2.063 -17.420) 18.808 8.642 ( -5.998 3.958 -14.742) 16.401 8.797 ( 2.715 11.009 -11.116) 15.879 9.868 ( -1.283 -5.560 12.761) 13.979 10.875 ( -1.942 0.706 -7.658) 7.932 12.450 ( 0.166 -14.974 13.392) 20.090 12.818 ( 3.208 -4.713 -0.361) 5.713 13.118 ( -5.003 3.882 12.105) 13.661 13.764 ( 2.789 -1.006 6.919) 7.528 14.159 ( 12.578 11.249 -7.979) 18.666 14.448 ( 7.435 4.396 -8.825) 12.349 14.895 ( 3.183 -4.072 1.222) 5.311 15.501 ( -19.930 4.531 -1.438) 20.490 16.340 ( -4.132 5.701 -11.505) 13.488 17.726 ( 9.214 -1.424 -24.159) 25.895 18.029 ( -0.985 -2.773 -2.796) 4.059 18.739 ( 4.945 -7.749 -8.706) 12.661 20.066 ( 2.055 -0.605 17.932) 18.059 20.681 ( -10.176 -4.623 19.513) 22.487 21.327 ( 1.024 1.956 2.246) 3.149 22.797 ( 0.826 -3.061 -7.290) 7.949 ======================= Grid point 200 (92/260) ======================= q-point: ( 0.10 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 7.332 16.207 21.785) 28.125 1.528 ( 5.698 11.685 24.251) 27.516 2.328 ( 22.650 11.982 21.129) 33.212 3.289 ( -0.216 -2.971 -5.997) 6.696 3.523 ( -5.841 0.278 7.225) 9.295 3.776 ( 0.073 4.779 -4.166) 6.340 4.210 ( 6.332 -3.721 -3.090) 7.968 4.566 ( 8.092 10.474 -5.691) 14.408 5.033 ( 1.859 0.250 4.586) 4.954 5.507 ( -4.574 7.310 6.105) 10.566 6.046 ( -7.561 1.075 13.830) 15.799 6.364 ( 21.307 1.743 2.085) 21.479 6.849 ( -3.208 -6.582 9.180) 11.743 7.638 ( -2.339 -5.362 -6.073) 8.433 8.203 ( -7.815 12.374 -6.563) 16.040 8.384 ( -7.316 -1.263 -5.558) 9.274 8.669 ( -4.384 1.550 -5.501) 7.203 8.900 ( 11.005 15.183 -20.046) 27.450 9.834 ( -1.811 -3.664 10.286) 11.068 10.787 ( -6.409 1.582 -7.184) 9.756 12.353 ( -8.832 -8.797 19.339) 23.008 12.843 ( 0.367 3.231 1.664) 3.652 13.099 ( 1.669 1.451 6.516) 6.881 13.756 ( -2.963 5.522 5.311) 8.215 14.264 ( -1.440 4.918 -3.730) 6.338 14.388 ( -7.675 2.559 -2.941) 8.608 14.957 ( -3.843 -1.750 0.128) 4.225 15.360 ( 10.873 -0.655 -1.867) 11.051 16.254 ( -3.236 4.276 -15.103) 16.026 17.738 ( -7.496 -1.152 -19.023) 20.479 17.899 ( -10.532 -2.894 -1.689) 11.052 18.809 ( -1.779 -8.653 -11.279) 14.327 20.085 ( 0.302 -6.171 20.783) 21.682 20.609 ( 5.012 3.822 10.306) 12.081 21.581 ( 18.163 -2.710 -0.800) 18.381 22.801 ( -0.346 -3.340 -7.040) 7.799 ======================= Grid point 201 (93/260) ======================= q-point: ( 0.20 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 11.391 3.169 17.999) 21.535 1.818 ( 19.730 10.808 14.606) 26.822 2.844 ( 24.268 5.614 6.419) 25.723 3.271 ( -1.715 -3.838 -5.119) 6.624 3.441 ( -1.741 -1.188 2.077) 2.959 3.766 ( -0.789 7.672 -12.840) 14.978 4.323 ( 4.858 0.517 -1.385) 5.078 4.774 ( 11.346 3.364 5.802) 13.180 5.075 ( 1.922 5.881 0.559) 6.213 5.425 ( -1.862 4.564 11.656) 12.656 5.876 ( -8.225 2.508 8.216) 11.893 6.747 ( -4.982 -6.017 8.761) 11.737 6.867 ( 21.648 -2.561 -4.358) 22.230 7.529 ( -8.007 -6.710 -2.884) 10.837 8.044 ( -7.710 10.436 -2.868) 13.289 8.193 ( -13.049 4.602 0.081) 13.837 8.539 ( -3.490 -4.332 -2.088) 5.942 9.142 ( 11.616 14.359 -16.337) 24.658 9.806 ( -1.068 -0.897 6.250) 6.404 10.622 ( -9.202 4.188 -5.226) 11.381 12.183 ( -6.577 2.532 22.339) 23.425 12.754 ( -10.458 3.427 4.271) 11.804 13.174 ( 6.342 6.522 4.894) 10.330 13.726 ( 2.398 7.428 -1.359) 7.923 14.211 ( -1.129 -3.283 0.113) 3.473 14.315 ( -1.248 -1.796 1.210) 2.499 14.932 ( 1.403 -5.189 2.925) 6.120 15.579 ( 7.897 -1.348 -11.388) 13.923 16.209 ( -1.073 0.594 -14.424) 14.476 17.457 ( -16.845 -2.183 -12.372) 21.014 17.655 ( -13.550 -2.329 -0.356) 13.753 18.572 ( -19.542 -1.391 -7.389) 20.939 20.167 ( 6.811 -9.087 13.425) 17.584 20.810 ( 12.197 1.963 6.146) 13.798 21.921 ( 13.787 -1.903 -6.254) 15.259 22.776 ( -2.085 -3.192 -7.109) 8.067 ======================= Grid point 202 (94/260) ======================= q-point: ( 0.30 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 17.801 -2.979 5.561) 18.885 2.260 ( 21.854 5.092 10.742) 24.878 3.075 ( -5.394 -0.691 -3.425) 6.427 3.382 ( 12.165 -3.445 -2.280) 12.847 3.444 ( 3.788 -2.269 -4.313) 6.173 3.767 ( 2.486 6.583 -19.174) 20.425 4.395 ( 1.312 4.326 -1.931) 4.916 4.906 ( -2.368 0.750 1.006) 2.680 5.171 ( 11.255 4.694 10.918) 16.368 5.480 ( 5.988 3.244 13.329) 14.968 5.760 ( -1.875 3.459 5.445) 6.718 6.601 ( -8.544 -4.306 11.808) 15.198 7.202 ( 7.875 0.089 -7.833) 11.108 7.342 ( -7.921 -8.232 1.418) 11.512 7.794 ( -17.568 2.760 -0.515) 17.791 7.911 ( -11.657 13.535 3.607) 18.223 8.632 ( 12.373 -7.574 0.420) 14.513 9.355 ( 8.971 11.278 -10.624) 17.903 9.786 ( -1.018 0.705 2.582) 2.864 10.421 ( -10.200 8.307 -3.660) 13.654 12.106 ( -1.683 6.784 22.419) 23.483 12.487 ( -13.416 8.696 1.211) 16.034 13.348 ( 9.729 5.793 1.947) 11.489 13.834 ( 6.398 -1.014 -4.023) 7.626 14.186 ( -1.049 -4.569 -7.217) 8.606 14.331 ( 2.045 -4.487 5.981) 7.752 14.981 ( 2.847 -5.977 3.725) 7.597 15.659 ( -0.266 -2.177 -15.215) 15.372 16.201 ( 0.367 -0.975 -8.603) 8.666 17.137 ( -12.501 -1.234 -5.886) 13.872 17.346 ( -15.733 -0.597 -1.999) 15.871 18.106 ( -23.856 4.087 -5.383) 24.795 20.311 ( 6.161 -9.664 7.869) 13.902 21.058 ( 11.233 -1.252 5.453) 12.549 22.145 ( 8.696 -0.610 -8.083) 11.888 22.711 ( -4.134 -2.544 -7.632) 9.045 ======================= Grid point 203 (95/260) ======================= q-point: ( 0.40 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 18.585 -5.029 -3.257) 19.527 2.647 ( 10.632 -1.432 5.199) 11.921 2.912 ( -4.579 0.470 -5.627) 7.270 3.343 ( -6.706 0.153 0.227) 6.711 3.687 ( 10.051 -1.889 -12.217) 15.933 3.891 ( 7.350 -4.296 -14.107) 16.477 4.355 ( -4.130 6.673 -6.435) 10.149 4.791 ( -6.773 3.195 -4.968) 8.986 5.442 ( 11.841 -1.823 16.298) 20.227 5.621 ( 7.914 2.748 10.823) 13.687 5.823 ( 6.694 4.090 8.334) 11.445 6.407 ( -10.444 -1.938 13.724) 17.354 7.095 ( -8.941 -3.978 1.932) 9.975 7.240 ( -12.178 0.246 4.200) 12.884 7.568 ( -0.232 6.516 -4.902) 8.157 7.685 ( -8.797 10.747 1.354) 13.954 8.980 ( 19.530 -9.165 2.683) 21.740 9.465 ( 0.037 -1.619 -1.718) 2.360 9.787 ( 2.556 9.482 -2.719) 10.190 10.206 ( -10.619 13.126 -4.239) 17.407 12.072 ( -4.220 7.373 19.929) 21.664 12.275 ( -5.103 11.723 0.411) 12.792 13.541 ( 8.065 1.747 -5.039) 9.669 13.935 ( 3.010 -5.853 -4.499) 7.972 14.207 ( 4.071 -3.995 -9.230) 10.850 14.370 ( 1.695 -5.076 6.057) 8.083 15.038 ( 2.180 -6.426 4.627) 8.213 15.544 ( -10.581 -5.102 -12.188) 16.927 16.221 ( 1.882 1.151 -4.121) 4.674 16.946 ( -9.722 0.125 -3.935) 10.489 17.094 ( -3.896 3.432 -3.728) 6.391 17.651 ( -19.133 6.082 -6.973) 21.253 20.408 ( 3.142 -8.698 5.521) 10.771 21.256 ( 7.671 -4.586 6.322) 10.947 22.294 ( 6.256 -0.698 -8.861) 10.869 22.607 ( -5.681 -1.183 -8.620) 10.391 ======================= Grid point 204 (96/260) ======================= q-point: (-0.50 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( -13.481 -3.668 -8.259) 16.229 2.591 ( 12.079 -5.390 -6.705) 14.829 2.996 ( -2.700 3.545 -2.383) 5.053 3.263 ( 5.901 -1.150 3.873) 7.152 3.849 ( 3.616 -2.772 -11.881) 12.725 3.887 ( -5.452 -8.745 -7.034) 12.477 4.323 ( 0.087 9.686 -6.934) 11.912 4.639 ( -6.908 1.966 -10.889) 13.044 5.590 ( 1.752 -1.957 12.738) 13.006 5.814 ( 8.387 2.019 11.504) 14.380 5.935 ( 0.122 2.408 11.992) 12.232 6.217 ( -4.461 -0.615 14.040) 14.745 6.974 ( -2.366 0.678 1.189) 2.733 7.005 ( -6.053 -1.823 5.376) 8.299 7.478 ( -4.679 11.228 2.312) 12.382 7.752 ( 10.113 8.002 -4.758) 13.746 9.322 ( -9.417 -11.770 6.144) 16.278 9.372 ( 13.678 -9.533 -0.332) 16.675 9.894 ( 3.115 16.086 -1.833) 16.488 10.008 ( -4.243 16.398 -7.611) 18.569 11.931 ( -7.599 9.514 11.549) 16.782 12.275 ( 2.657 9.773 7.385) 12.534 13.628 ( 0.248 -2.763 -6.399) 6.975 13.948 ( -2.098 -5.081 -7.366) 9.191 14.325 ( 4.004 -5.671 -5.430) 8.813 14.470 ( 11.802 -5.443 0.411) 13.003 15.015 ( -7.315 -5.907 2.176) 9.650 15.307 ( -7.956 -6.280 -2.052) 10.341 16.265 ( 1.730 4.796 -6.291) 8.098 16.731 ( -8.861 4.390 -4.482) 10.857 17.185 ( 8.757 3.905 -2.407) 9.886 17.374 ( -5.536 4.343 -9.171) 11.560 20.442 ( 0.150 -6.967 4.597) 8.349 21.368 ( 3.069 -7.870 7.770) 11.477 22.387 ( 0.838 -2.201 -9.852) 10.130 22.502 ( -2.082 1.557 -9.166) 9.528 ======================= Grid point 205 (97/260) ======================= q-point: (-0.40 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( -21.330 -1.446 -9.001) 23.196 2.672 ( -13.493 -2.514 3.676) 14.209 2.944 ( 8.479 0.147 -8.693) 12.144 3.481 ( 9.441 -2.830 0.991) 9.905 3.654 ( -9.429 -3.981 -14.447) 17.705 3.924 ( -3.450 -6.220 -4.763) 8.560 4.229 ( -6.400 8.306 -0.106) 10.486 4.571 ( -0.832 5.454 -10.859) 12.180 5.531 ( -6.178 3.026 10.915) 12.902 5.664 ( -18.234 7.517 11.548) 22.855 5.996 ( 5.226 -4.277 13.878) 15.434 6.310 ( 9.069 -2.953 11.133) 14.660 7.004 ( 6.839 -2.943 4.763) 8.838 7.053 ( 7.495 1.960 -3.624) 8.553 7.486 ( 5.778 8.547 0.124) 10.317 7.979 ( 11.188 9.280 -2.289) 14.715 8.998 ( -18.905 -11.063 2.803) 22.082 9.604 ( 3.476 -3.491 -1.365) 5.112 9.753 ( -6.201 15.997 -4.651) 17.776 10.199 ( 14.654 9.932 -0.854) 17.723 11.810 ( -3.862 9.427 13.892) 17.227 12.338 ( 2.992 7.793 5.703) 10.110 13.579 ( -4.241 -3.308 0.411) 5.394 13.853 ( -6.201 -2.921 -7.544) 10.193 14.346 ( -1.139 -6.393 -2.178) 6.849 14.646 ( -10.247 -2.470 -1.085) 10.596 14.917 ( 12.488 -7.579 -6.706) 16.073 15.283 ( 4.733 -9.505 1.313) 10.699 16.278 ( 0.429 10.006 -9.248) 13.631 16.595 ( -4.700 5.670 -7.087) 10.220 17.316 ( 7.768 -0.438 -1.047) 7.851 17.526 ( 15.537 5.212 -6.983) 17.813 20.418 ( -2.595 -4.921 4.577) 7.204 21.381 ( -2.047 -10.726 9.191) 14.273 22.290 ( -7.090 0.788 -11.226) 13.301 22.559 ( 4.769 0.138 -8.685) 9.909 ======================= Grid point 206 (98/260) ======================= q-point: (-0.30 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( -22.287 1.222 -4.426) 22.755 2.289 ( -21.411 0.835 10.813) 24.001 3.109 ( 4.207 -1.967 -9.563) 10.631 3.410 ( -8.100 -3.885 -1.630) 9.130 3.685 ( -12.798 -0.870 -4.463) 13.582 3.727 ( 6.556 -0.593 -9.306) 11.399 4.166 ( -2.118 4.749 4.030) 6.579 4.534 ( -2.901 8.265 -6.008) 10.622 5.239 ( -19.649 9.332 9.801) 23.859 5.454 ( -2.176 6.347 7.000) 9.697 6.082 ( 3.351 -5.492 16.390) 17.607 6.509 ( 9.621 -4.527 9.345) 14.156 7.195 ( 9.642 -2.384 -5.525) 11.366 7.235 ( 8.783 -1.492 -1.014) 8.967 7.692 ( 12.628 5.215 -3.129) 14.016 8.176 ( 7.002 11.007 -2.921) 13.369 8.608 ( -16.375 -8.728 0.845) 18.576 9.445 ( -12.031 13.914 -10.360) 21.111 9.786 ( 3.520 2.203 3.144) 5.208 10.510 ( 14.501 3.301 -1.010) 14.906 11.806 ( 4.079 7.420 22.770) 24.293 12.394 ( 2.431 6.190 1.778) 6.883 13.470 ( -6.118 -0.902 4.290) 7.526 13.728 ( -5.277 -2.418 -3.330) 6.692 14.244 ( -10.142 1.527 -1.032) 10.308 14.408 ( -6.895 -4.894 -1.280) 8.552 15.081 ( 0.809 -4.601 0.551) 4.704 15.557 ( 17.901 -16.751 -8.168) 25.841 16.325 ( 4.326 11.852 -13.451) 18.442 16.555 ( 3.307 5.106 -11.166) 12.716 17.554 ( 13.889 -2.226 1.355) 14.131 17.877 ( 18.166 4.862 -6.038) 19.751 20.338 ( -5.284 -2.829 5.563) 8.177 21.289 ( -6.952 -12.318 10.772) 17.779 22.127 ( -8.760 2.791 -11.623) 14.820 22.652 ( 4.193 -0.759 -8.474) 9.485 ======================= Grid point 207 (99/260) ======================= q-point: (-0.20 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -14.737 6.782 9.063) 18.582 1.842 ( -21.354 4.338 16.051) 27.064 2.953 ( -19.341 2.621 5.968) 20.410 3.298 ( -2.720 2.543 -0.301) 3.736 3.546 ( 1.712 -4.344 -3.915) 6.093 3.848 ( 3.336 2.373 -4.228) 5.885 4.099 ( -3.976 1.160 0.001) 4.141 4.464 ( -3.107 11.435 -6.711) 13.618 4.896 ( -12.581 7.972 6.422) 16.219 5.475 ( 3.351 8.019 4.688) 9.875 6.145 ( 2.423 -4.762 19.397) 20.120 6.690 ( 7.363 -5.665 8.440) 12.551 7.206 ( -12.029 -3.455 -7.804) 14.749 7.428 ( 8.818 -6.607 -2.127) 11.222 7.909 ( 8.691 -0.772 -10.000) 13.272 8.252 ( 4.218 19.239 -7.961) 21.244 8.499 ( 4.994 -3.594 0.787) 6.203 9.183 ( -13.197 12.541 -13.572) 22.707 9.844 ( 2.064 0.297 7.210) 7.506 10.754 ( 8.767 0.541 -5.112) 10.163 12.021 ( 16.525 -0.209 32.658) 36.601 12.451 ( 3.767 5.711 -0.648) 6.872 13.350 ( -5.022 3.559 3.893) 7.283 13.630 ( -4.623 -2.850 1.486) 5.631 14.032 ( -7.917 10.458 0.211) 13.119 14.328 ( -2.188 -7.993 -1.026) 8.351 15.040 ( -3.768 -3.486 2.163) 5.570 15.803 ( 5.251 -7.448 -8.078) 12.178 16.373 ( 0.788 0.223 -10.223) 10.255 16.856 ( 24.323 4.867 -23.503) 34.171 17.823 ( 11.108 -2.764 2.868) 11.801 18.256 ( 18.357 3.139 -7.248) 19.985 20.207 ( -7.193 -0.789 8.212) 10.945 21.108 ( -10.439 -12.408 13.902) 21.359 21.906 ( -13.294 3.422 -11.465) 17.885 22.725 ( 2.952 -1.556 -8.201) 8.854 ======================= Grid point 208 (100/260) ======================= q-point: (-0.10 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 4.669 14.117 25.162) 29.227 1.467 ( -13.982 11.075 20.617) 27.262 2.489 ( -23.169 11.166 24.077) 35.230 3.274 ( 0.165 1.093 -4.680) 4.809 3.632 ( 4.394 -3.522 0.382) 5.644 3.847 ( -3.374 -0.003 13.175) 13.601 4.034 ( -1.162 2.207 -11.025) 11.303 4.424 ( -0.504 13.309 -15.468) 20.412 4.779 ( 1.924 3.846 7.725) 8.841 5.550 ( 2.877 9.242 3.102) 10.164 6.178 ( 0.162 -3.448 20.737) 21.022 6.682 ( -22.042 -5.921 1.482) 22.872 6.865 ( -2.519 -4.266 5.951) 7.744 7.567 ( 4.999 -5.873 -5.828) 9.667 8.143 ( 13.643 -0.479 -15.386) 20.570 8.351 ( 3.998 19.119 -7.843) 21.049 8.661 ( 8.433 5.543 -6.547) 12.029 8.904 ( -13.452 6.692 -14.905) 21.163 9.873 ( 0.574 -3.296 11.185) 11.675 10.868 ( 2.790 0.412 -7.142) 7.679 12.357 ( 9.786 -13.707 19.295) 25.611 12.624 ( 14.119 -0.219 7.511) 15.994 13.257 ( -5.932 5.003 8.258) 11.332 13.606 ( 6.418 4.010 0.671) 7.597 13.958 ( 1.461 15.770 -0.286) 15.840 14.324 ( 2.473 -6.076 -0.077) 6.561 14.947 ( -4.878 -3.649 1.886) 6.378 15.789 ( -6.597 1.040 -10.665) 12.584 16.385 ( 0.032 0.334 -8.205) 8.212 17.377 ( 23.736 -1.228 -27.931) 36.675 17.985 ( 4.702 -3.402 2.010) 6.142 18.585 ( 12.317 -0.323 -9.722) 15.695 20.077 ( -4.411 0.900 13.558) 14.285 20.889 ( -10.544 -11.635 19.446) 24.994 21.567 ( -18.443 4.090 -7.570) 20.351 22.771 ( 1.784 -2.415 -7.766) 8.326 ======================= Grid point 209 (101/260) ======================= q-point: ( 0.00 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 1.922 12.565 19.659) 23.410 1.759 ( 8.473 19.030 19.097) 28.260 2.516 ( -5.373 22.835 19.879) 30.749 3.174 ( -0.587 -9.366 -13.635) 16.552 3.700 ( -5.828 3.056 14.897) 16.286 3.857 ( 5.092 9.133 13.827) 17.336 4.132 ( 0.856 6.578 -10.142) 12.119 4.687 ( 1.965 10.687 -13.675) 17.467 4.948 ( 5.400 3.404 7.140) 9.577 5.760 ( -2.884 8.150 4.915) 9.945 6.138 ( 1.100 0.607 11.169) 11.240 6.343 ( -7.279 7.998 7.915) 13.402 6.701 ( -1.076 -11.598 7.936) 14.095 7.541 ( 1.606 -5.293 -9.568) 11.052 8.369 ( 11.947 -1.745 -8.846) 14.967 8.471 ( -10.385 -2.676 -12.672) 16.601 8.795 ( -3.415 8.406 0.908) 9.118 9.215 ( 4.390 27.454 -21.011) 34.849 9.726 ( -2.271 -8.394 13.513) 16.069 10.872 ( -1.391 -1.619 -7.932) 8.215 12.217 ( 2.313 -5.098 23.026) 23.696 12.858 ( 6.036 5.477 -4.623) 9.370 13.229 ( -6.104 6.702 11.840) 14.911 13.654 ( 1.431 -9.711 9.860) 13.913 14.165 ( 5.898 -4.064 4.121) 8.264 14.572 ( 2.495 1.406 -13.572) 13.871 14.848 ( 11.609 0.132 -9.398) 14.937 15.594 ( -17.342 4.564 -6.296) 19.005 16.496 ( -0.520 9.836 -10.349) 14.287 17.688 ( 8.967 -2.560 -21.080) 23.051 17.950 ( 2.445 -5.165 -6.526) 8.674 18.554 ( -4.516 -10.197 -9.611) 14.723 20.061 ( -3.235 0.253 19.357) 19.627 20.605 ( 1.402 -2.560 24.722) 24.894 21.421 ( -3.232 7.479 0.857) 8.193 22.707 ( 0.184 -6.110 -6.905) 9.222 ======================= Grid point 210 (102/260) ======================= q-point: ( 0.10 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 6.424 13.759 17.184) 22.932 1.795 ( -0.640 15.893 21.651) 26.866 2.637 ( 14.394 17.557 12.042) 25.699 3.161 ( -0.220 -8.335 -13.824) 16.144 3.571 ( -6.647 2.524 11.982) 13.932 3.955 ( 2.861 13.990 5.413) 15.271 4.187 ( 5.763 1.340 -4.214) 7.264 4.750 ( 3.891 7.577 -4.067) 9.439 5.075 ( 6.867 4.305 2.254) 8.412 5.644 ( -7.876 4.627 7.496) 11.816 6.109 ( -4.433 6.052 7.113) 10.338 6.433 ( 14.259 4.862 2.898) 15.342 6.668 ( -1.854 -10.900 9.062) 14.296 7.542 ( -2.641 -5.209 -7.939) 9.856 8.186 ( -9.894 -7.242 -8.252) 14.779 8.542 ( -1.245 10.182 -1.957) 10.443 8.714 ( -5.855 3.260 0.915) 6.764 9.265 ( 3.568 19.689 -18.512) 27.260 9.757 ( 4.007 -2.969 7.219) 8.774 10.809 ( -4.333 0.023 -7.208) 8.410 12.263 ( 1.699 0.647 20.284) 20.365 12.930 ( -0.140 5.354 -0.480) 5.377 13.164 ( 0.714 4.550 6.979) 8.362 13.707 ( 4.128 -8.223 8.662) 12.636 14.252 ( 1.408 -4.348 5.102) 6.850 14.480 ( -7.209 0.654 -7.695) 10.565 15.028 ( -10.813 9.599 -13.326) 19.663 15.328 ( 6.200 -2.129 -1.411) 6.705 16.384 ( -7.780 9.165 -13.487) 18.067 17.692 ( -7.123 -3.908 -14.270) 16.421 17.820 ( -13.625 -5.095 -6.062) 15.759 18.596 ( 5.025 -11.825 -13.675) 18.764 19.964 ( -4.568 -5.391 22.706) 23.780 20.695 ( 6.425 4.649 17.021) 18.778 21.578 ( 15.386 3.047 -0.850) 15.708 22.705 ( -0.371 -6.530 -6.913) 9.517 ======================= Grid point 211 (103/260) ======================= q-point: ( 0.20 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 1.999 13.443 19.056) 23.406 1.996 ( 15.084 7.523 14.280) 22.091 2.967 ( 15.640 4.932 0.970) 16.428 3.163 ( 0.479 -5.534 -13.654) 14.740 3.438 ( -5.976 0.245 7.789) 9.820 3.955 ( -2.067 10.858 -10.234) 15.063 4.368 ( 10.009 4.591 3.874) 11.673 4.841 ( 5.237 3.023 4.194) 7.359 5.210 ( 3.946 6.592 -1.357) 7.802 5.501 ( -3.177 2.933 10.660) 11.504 5.987 ( -6.511 8.756 2.877) 11.285 6.586 ( -3.172 -9.614 7.926) 12.858 6.839 ( 19.176 0.145 0.250) 19.178 7.410 ( -8.979 -5.981 -5.241) 11.994 8.068 ( -4.923 -2.978 -0.446) 5.771 8.401 ( -9.439 6.533 4.678) 12.396 8.529 ( -9.172 7.511 0.031) 11.855 9.389 ( 6.560 8.666 -10.276) 14.958 9.846 ( 4.356 6.727 -1.903) 8.237 10.706 ( -5.281 3.628 -6.145) 8.878 12.288 ( 0.549 8.457 18.628) 20.465 12.854 ( -6.482 6.420 4.473) 10.161 13.254 ( 7.091 1.593 3.187) 7.935 13.822 ( 6.120 -2.094 3.903) 7.555 14.206 ( -7.128 -1.937 2.084) 7.674 14.288 ( -8.255 5.810 -2.464) 10.391 14.813 ( -3.661 -5.798 3.005) 7.487 15.535 ( 7.592 -2.979 -9.357) 12.412 16.246 ( -4.531 3.663 -16.658) 17.648 17.394 ( -17.097 -4.272 -9.928) 20.226 17.580 ( -11.497 -5.427 -3.835) 13.279 18.541 ( -10.797 -1.536 -14.518) 18.158 19.957 ( 3.554 -11.155 18.908) 22.239 20.858 ( 8.522 2.790 12.386) 15.291 21.905 ( 14.419 0.799 -5.473) 15.443 22.685 ( -1.475 -6.034 -7.330) 9.608 ======================= Grid point 212 (104/260) ======================= q-point: ( 0.30 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 11.401 4.111 11.440) 16.667 2.325 ( 15.781 1.866 10.832) 19.231 3.072 ( -5.562 -1.162 -10.036) 11.533 3.294 ( 8.490 -5.210 -0.961) 10.007 3.381 ( 3.925 -3.045 -1.966) 5.343 3.897 ( -2.844 6.041 -16.832) 18.108 4.507 ( 2.319 6.647 -4.386) 8.295 4.936 ( 0.624 0.651 1.509) 1.758 5.219 ( 2.881 0.771 10.314) 10.737 5.579 ( 7.251 7.021 10.125) 14.297 5.893 ( -1.505 9.273 2.354) 9.685 6.496 ( -5.201 -5.523 10.221) 12.729 7.134 ( 1.272 -5.708 0.441) 5.865 7.279 ( 3.546 0.319 -4.317) 5.596 7.818 ( -16.778 0.743 4.245) 17.323 8.198 ( -12.182 12.798 2.490) 17.844 8.532 ( 10.322 -1.449 3.871) 11.119 9.456 ( -0.647 -0.522 -0.573) 1.010 9.947 ( 5.921 14.969 -7.839) 17.904 10.596 ( -5.376 8.672 -5.967) 11.820 12.297 ( -0.037 12.396 18.160) 21.988 12.698 ( -7.898 11.888 2.076) 14.423 13.430 ( 9.283 0.341 5.082) 10.589 13.874 ( -3.746 6.031 -1.335) 7.225 14.057 ( -1.114 -8.173 -4.779) 9.533 14.229 ( -0.103 -4.627 4.444) 6.417 14.814 ( 1.851 -10.952 4.835) 12.114 15.571 ( -4.229 -6.717 -5.437) 9.621 16.215 ( 1.727 2.845 -16.611) 16.941 17.102 ( -10.226 -2.320 -6.777) 12.485 17.326 ( -12.039 -1.430 -6.014) 13.533 18.214 ( -18.942 6.678 -12.033) 23.413 20.070 ( 6.042 -13.949 13.076) 20.051 21.022 ( 6.781 -2.390 11.002) 13.143 22.141 ( 8.895 0.451 -8.043) 12.001 22.640 ( -2.803 -4.646 -8.015) 9.679 ======================= Grid point 213 (105/260) ======================= q-point: ( 0.40 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 15.532 -3.188 3.479) 16.233 2.574 ( 4.257 -4.884 5.887) 8.754 2.951 ( -1.622 1.819 -5.815) 6.305 3.290 ( -4.455 -5.292 3.885) 7.934 3.603 ( 11.196 -6.144 -9.737) 16.059 3.847 ( -2.078 0.082 -18.555) 18.671 4.495 ( -1.166 6.742 -12.717) 14.441 4.821 ( -9.358 -2.007 -6.411) 11.520 5.395 ( 10.361 -0.714 17.582) 20.421 5.718 ( 6.269 6.143 10.724) 13.858 5.938 ( 4.610 6.905 5.742) 10.095 6.381 ( -6.386 -0.018 12.176) 13.749 7.025 ( -5.232 -2.234 3.957) 6.930 7.278 ( -12.113 2.368 4.515) 13.142 7.675 ( 7.394 4.494 -4.518) 9.761 7.933 ( -12.464 13.049 -0.012) 18.045 8.835 ( 17.158 -5.259 7.144) 19.316 9.363 ( -8.078 -6.194 4.862) 11.281 10.083 ( 7.224 17.851 -7.972) 20.843 10.478 ( -6.126 13.869 -7.529) 16.929 12.275 ( -3.061 12.889 16.818) 21.409 12.569 ( -3.822 17.108 0.909) 17.553 13.575 ( 2.435 0.155 2.156) 3.256 13.795 ( -0.054 -6.586 -3.917) 7.663 14.106 ( 4.183 -6.148 -5.486) 9.241 14.243 ( 0.903 -7.097 6.118) 9.413 14.857 ( 1.730 -11.929 5.618) 13.298 15.389 ( -12.066 -10.039 -1.686) 15.786 16.286 ( 4.794 5.168 -13.404) 15.145 16.948 ( -6.672 -0.097 -5.752) 8.809 17.171 ( -0.450 4.297 -9.772) 10.684 17.816 ( -18.547 10.303 -11.562) 24.162 20.185 ( 4.746 -13.300 10.023) 17.317 21.128 ( 3.253 -8.152 11.073) 14.130 22.281 ( 5.223 -0.453 -9.304) 10.679 22.573 ( -3.348 -2.291 -8.659) 9.563 ======================= Grid point 214 (106/260) ======================= q-point: (-0.50 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( -4.624 -4.180 -4.484) 7.678 2.473 ( 3.727 -6.287 0.208) 7.312 3.029 ( -0.252 -0.739 1.999) 2.146 3.194 ( 1.180 -5.235 5.100) 7.403 3.734 ( -3.550 -5.323 -13.556) 14.990 3.813 ( 3.601 -2.257 -14.972) 15.564 4.494 ( -2.372 6.788 -10.890) 13.050 4.634 ( -4.281 -3.033 -12.110) 13.198 5.560 ( 4.339 -0.330 16.122) 16.699 5.839 ( 4.364 0.654 12.186) 12.960 6.019 ( 0.958 6.291 8.074) 10.281 6.252 ( -4.104 3.965 12.636) 13.865 6.989 ( 1.350 1.950 3.485) 4.216 7.023 ( -8.553 2.333 4.852) 10.106 7.697 ( -7.135 10.317 0.128) 12.544 7.936 ( 13.258 9.880 -5.610) 17.461 9.113 ( -8.538 -9.423 11.132) 16.900 9.214 ( 11.158 -6.522 3.892) 13.497 10.222 ( 4.562 17.119 -4.581) 18.299 10.350 ( -4.615 17.608 -11.161) 21.352 12.175 ( -6.146 14.642 13.717) 20.984 12.539 ( 0.027 16.321 3.194) 16.631 13.546 ( -2.981 -5.854 -2.211) 6.932 13.834 ( 0.998 -5.279 -3.187) 6.247 14.182 ( 1.115 -8.662 1.467) 8.856 14.325 ( 9.820 -8.719 0.520) 13.143 14.845 ( -4.679 -11.000 5.360) 13.101 15.155 ( -8.106 -8.751 0.014) 11.929 16.387 ( 4.904 7.011 -11.851) 14.617 16.828 ( -4.138 4.907 -7.148) 9.607 17.271 ( 6.205 4.722 -10.424) 13.018 17.517 ( -6.731 10.077 -10.701) 16.167 20.262 ( 2.519 -10.856 8.821) 14.213 21.157 ( -0.616 -13.142 11.405) 17.411 22.348 ( 0.722 -1.749 -10.181) 10.356 22.522 ( -0.491 0.475 -8.617) 8.644 ======================= Grid point 215 (107/260) ======================= q-point: (-0.40 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( -18.161 0.829 -3.889) 18.592 2.567 ( -6.635 -7.233 7.366) 12.272 2.958 ( 2.458 0.558 -5.997) 6.506 3.323 ( 4.707 -11.383 6.079) 13.736 3.619 ( -3.581 -0.843 -16.670) 17.071 3.840 ( -3.054 -2.218 -9.966) 10.657 4.363 ( -4.816 4.247 -6.920) 9.441 4.678 ( 3.252 5.015 -11.084) 12.593 5.574 ( -2.183 0.710 14.407) 14.588 5.811 ( -10.737 2.829 13.122) 17.189 5.959 ( -1.120 5.636 6.947) 9.015 6.300 ( 6.089 2.371 9.883) 11.848 6.956 ( 3.356 -1.661 4.879) 6.150 7.104 ( 7.737 2.798 -0.793) 8.266 7.640 ( 2.154 6.544 -2.088) 7.199 8.211 ( 12.714 13.292 -2.040) 18.507 8.797 ( -17.765 -9.204 9.199) 22.021 9.493 ( 11.072 -6.081 5.237) 13.675 10.131 ( -8.625 20.321 -10.014) 24.241 10.427 ( 8.023 12.635 -6.152) 16.182 12.060 ( -4.667 15.464 15.471) 22.367 12.546 ( 0.361 12.752 3.321) 13.183 13.484 ( -2.913 -6.314 0.737) 6.993 13.802 ( -3.595 -1.481 -3.404) 5.167 14.180 ( -0.602 -9.966 1.789) 10.143 14.547 ( 0.399 -8.736 -0.812) 8.783 14.723 ( 4.637 -10.037 2.774) 11.399 15.096 ( 0.906 -9.157 0.321) 9.207 16.483 ( 5.093 9.794 -13.787) 17.662 16.740 ( -5.704 8.502 -11.689) 15.539 17.317 ( 4.588 0.754 -3.832) 6.025 17.661 ( 14.925 8.330 -10.675) 20.152 20.289 ( -0.025 -7.778 8.917) 11.832 21.110 ( -4.005 -15.973 11.631) 20.161 22.300 ( -4.471 0.100 -10.008) 10.962 22.560 ( 3.401 -0.098 -8.477) 9.134 ======================= Grid point 216 (108/260) ======================= q-point: (-0.30 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( -16.320 7.566 2.470) 18.157 2.273 ( -18.114 -1.897 13.529) 22.688 3.059 ( 2.586 -3.345 -12.720) 13.405 3.340 ( -0.604 -5.199 1.673) 5.495 3.559 ( -5.220 -6.072 -5.467) 9.695 3.789 ( 2.259 3.885 -7.787) 8.991 4.308 ( -2.471 7.815 -3.464) 8.899 4.693 ( -1.387 7.512 -4.927) 9.090 5.450 ( -14.486 8.876 9.915) 19.670 5.595 ( -2.408 8.137 7.036) 11.024 5.977 ( 2.171 -3.465 10.079) 10.877 6.440 ( 6.934 -1.277 8.368) 10.943 7.101 ( 8.887 -5.061 -1.092) 10.285 7.258 ( 5.570 1.397 -2.044) 6.096 7.761 ( 7.245 1.989 -3.555) 8.312 8.395 ( -2.253 0.318 8.301) 8.607 8.502 ( -0.494 7.887 -0.445) 7.915 9.612 ( -0.963 0.881 0.527) 1.408 9.965 ( -6.045 16.959 -9.936) 20.564 10.602 ( 8.720 5.794 -4.780) 11.509 12.011 ( -0.037 13.215 22.037) 25.696 12.557 ( 0.906 9.969 2.218) 10.253 13.431 ( -2.134 -3.471 2.107) 4.587 13.714 ( -4.573 1.366 -0.333) 4.784 14.160 ( -1.314 -9.684 -0.173) 9.774 14.357 ( -10.551 -0.877 1.233) 10.658 14.953 ( 5.199 -8.365 3.693) 10.519 15.232 ( 15.765 -14.959 -3.687) 22.043 16.540 ( -4.897 9.803 -20.863) 23.566 16.682 ( 7.607 7.187 -12.217) 16.086 17.513 ( 12.643 -1.648 0.214) 12.752 17.993 ( 16.747 6.584 -9.960) 20.567 20.263 ( -2.671 -4.575 10.179) 11.475 21.001 ( -6.682 -15.802 12.560) 21.263 22.176 ( -7.565 1.962 -8.967) 11.895 22.630 ( 3.149 -1.494 -8.316) 9.017 ======================= Grid point 217 (109/260) ======================= q-point: (-0.20 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -5.559 17.537 13.609) 22.883 1.908 ( -16.516 2.754 16.743) 23.679 2.993 ( -8.411 0.379 -4.092) 9.361 3.268 ( -5.728 -5.623 -6.350) 10.235 3.558 ( 5.961 4.417 2.687) 7.891 3.862 ( 2.559 1.272 1.232) 3.112 4.223 ( -5.244 9.530 -3.105) 11.312 4.654 ( -1.356 7.565 -2.671) 8.137 5.129 ( -14.309 14.645 3.226) 20.728 5.642 ( 4.914 7.501 4.192) 9.899 6.040 ( 3.325 -5.350 13.101) 14.536 6.569 ( 5.021 -5.322 7.808) 10.701 7.121 ( -12.394 -3.714 -0.643) 12.954 7.380 ( 8.444 -0.390 -4.735) 9.689 7.828 ( 2.982 -6.191 -7.400) 10.099 8.438 ( 11.256 -2.452 5.887) 12.937 8.634 ( 6.859 17.741 -3.555) 19.350 9.452 ( -12.485 12.149 -10.890) 20.544 9.889 ( -2.768 6.144 -0.559) 6.762 10.764 ( 6.639 0.272 -6.283) 9.145 12.065 ( 4.319 5.470 28.244) 29.091 12.601 ( 3.860 9.259 1.208) 10.104 13.409 ( -0.092 0.808 4.024) 4.106 13.619 ( -4.302 1.708 1.780) 4.959 14.126 ( -3.253 -10.566 2.216) 11.275 14.212 ( -0.815 6.233 -3.114) 7.015 14.949 ( -3.275 -5.644 3.122) 7.234 15.617 ( 17.493 -10.401 -1.881) 20.438 16.409 ( -4.923 3.388 -19.746) 20.630 16.957 ( 17.492 4.878 -20.390) 27.304 17.761 ( 10.030 -3.344 0.796) 10.602 18.328 ( 15.581 3.933 -10.369) 19.125 20.188 ( -4.477 -1.075 12.733) 13.540 20.843 ( -8.824 -13.367 15.855) 22.537 21.972 ( -12.578 3.168 -7.186) 14.828 22.679 ( 1.712 -3.060 -7.925) 8.666 ======================= Grid point 218 (110/260) ======================= q-point: (-0.10 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 7.514 23.367 20.100) 31.725 1.649 ( -7.318 8.000 19.929) 22.687 2.748 ( -13.957 13.238 11.665) 22.497 3.194 ( -1.592 -8.419 -12.470) 15.130 3.698 ( 6.085 6.929 8.076) 12.258 3.848 ( -3.693 2.668 15.193) 15.861 4.140 ( -1.905 8.335 -10.277) 13.369 4.660 ( 1.544 8.736 -8.723) 12.442 4.919 ( -4.798 11.385 3.757) 12.914 5.747 ( 3.910 8.905 2.509) 10.044 6.100 ( 2.216 -3.972 14.763) 15.447 6.604 ( -7.139 -3.193 7.159) 10.603 6.759 ( -12.654 -4.018 6.218) 14.660 7.499 ( 3.085 -2.719 -7.742) 8.766 8.036 ( 16.019 -7.494 -14.163) 22.658 8.610 ( 0.860 6.509 2.564) 7.048 8.793 ( 7.264 5.506 -6.914) 11.441 9.199 ( -8.108 21.468 -16.531) 28.283 9.812 ( -4.778 -1.504 7.188) 8.761 10.860 ( 2.733 -1.701 -7.710) 8.355 12.156 ( 3.455 -3.756 26.885) 27.365 12.719 ( 7.012 7.463 -0.691) 10.263 13.363 ( -5.770 5.142 10.324) 12.897 13.605 ( 3.092 -3.956 4.535) 6.766 14.077 ( 0.842 -4.568 2.057) 5.080 14.334 ( 11.848 7.701 -10.229) 17.444 14.855 ( -5.296 -5.565 1.520) 7.831 15.808 ( -1.323 0.588 -6.568) 6.726 16.408 ( 5.617 2.433 -12.942) 14.317 17.352 ( 20.240 -1.187 -25.181) 32.329 17.896 ( 3.377 -5.551 -0.004) 6.498 18.575 ( 6.443 -0.697 -12.859) 14.400 20.106 ( -3.041 2.112 16.662) 17.068 20.668 ( -7.386 -9.826 22.302) 25.466 21.663 ( -16.310 5.595 -3.341) 17.564 22.700 ( 0.632 -4.810 -7.337) 8.796 ======================= Grid point 219 (111/260) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 2.611 9.549 13.695) 16.898 2.082 ( 4.606 11.901 11.149) 16.945 2.897 ( -2.403 11.145 2.588) 11.692 3.036 ( 1.050 0.075 -0.507) 1.169 3.712 ( -3.930 0.234 19.181) 19.581 4.004 ( 3.888 2.536 0.199) 4.646 4.413 ( 0.914 21.295 1.831) 21.393 4.812 ( 2.374 2.498 -3.812) 5.139 5.082 ( -0.115 9.409 2.253) 9.676 5.832 ( -5.563 -0.854 5.804) 8.084 6.137 ( 6.736 -3.791 4.103) 8.751 6.472 ( -3.157 -2.886 6.015) 7.381 6.560 ( -4.761 7.723 4.846) 10.286 7.407 ( 1.020 -8.569 -9.218) 12.627 8.325 ( 12.072 -1.810 -8.027) 14.610 8.414 ( -11.059 -2.939 -13.655) 17.816 8.962 ( -0.776 8.868 8.025) 11.985 9.528 ( 2.342 -8.290 13.675) 16.162 9.764 ( -3.678 24.423 -15.788) 29.313 10.793 ( -0.629 -6.903 -8.553) 11.009 12.265 ( 3.798 9.160 20.299) 22.592 12.978 ( 4.865 5.986 -5.857) 9.685 13.282 ( -4.057 -8.478 11.865) 15.137 13.473 ( 0.389 -1.493 10.644) 10.756 14.107 ( 3.000 -1.653 8.239) 8.923 14.513 ( -5.081 -5.022 -4.604) 8.499 14.851 ( 17.003 -0.914 -15.287) 22.883 15.670 ( -13.753 3.003 -10.775) 17.728 16.704 ( 4.747 10.940 -7.710) 14.201 17.620 ( 3.388 -4.639 -15.476) 16.508 17.841 ( 10.590 -5.344 -14.241) 18.534 18.377 ( -14.674 -7.262 -12.945) 20.872 20.075 ( -7.863 0.983 20.048) 21.558 20.579 ( 8.664 -0.465 27.229) 28.578 21.599 ( -3.031 10.058 -0.768) 10.533 22.565 ( -0.937 -8.057 -6.545) 10.423 ======================= Grid point 220 (112/260) ======================= q-point: ( 0.10 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 7.901 9.031 11.706) 16.764 2.107 ( -1.939 13.533 14.929) 20.242 2.867 ( 0.614 1.975 -2.624) 3.341 3.085 ( 2.776 3.577 -1.415) 4.744 3.597 ( -6.733 1.620 12.951) 14.686 4.136 ( 6.246 0.792 0.402) 6.309 4.394 ( -0.222 20.720 2.988) 20.936 4.852 ( 1.533 3.568 1.282) 4.089 5.182 ( 8.264 5.671 -0.476) 10.034 5.661 ( -9.655 -2.752 5.552) 11.472 6.214 ( -0.822 -0.427 2.776) 2.926 6.434 ( 0.384 -2.281 5.668) 6.122 6.610 ( 8.756 6.763 2.868) 11.430 7.421 ( -1.936 -7.055 -7.739) 10.650 8.037 ( -10.589 -7.136 -6.577) 14.364 8.682 ( 8.220 4.478 -6.649) 11.482 8.797 ( -12.762 4.781 10.239) 17.046 9.494 ( -2.734 0.737 6.686) 7.261 9.861 ( 9.708 16.194 -13.140) 23.003 10.766 ( -1.544 -4.871 -7.502) 9.077 12.376 ( 6.196 10.276 17.239) 21.004 13.036 ( -0.075 4.921 -3.485) 6.031 13.215 ( -1.251 -2.450 8.753) 9.175 13.545 ( 6.254 -4.566 9.294) 12.097 14.144 ( -0.358 -6.126 7.155) 9.427 14.414 ( -2.683 -5.332 -2.174) 6.352 15.163 ( 2.797 0.483 -6.029) 6.664 15.347 ( -8.258 5.698 -15.949) 18.842 16.614 ( -11.454 14.246 -11.051) 21.360 17.556 ( -6.591 -10.839 -9.961) 16.129 17.718 ( -19.655 -4.500 -9.404) 22.248 18.401 ( 12.373 -7.257 -18.901) 23.728 19.885 ( -9.223 -2.849 23.455) 25.363 20.776 ( 8.287 3.391 22.279) 24.011 21.694 ( 11.113 8.223 -2.529) 14.054 22.553 ( -0.250 -8.730 -7.124) 11.271 ======================= Grid point 221 (113/260) ======================= q-point: ( 0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -0.964 13.507 15.136) 20.310 2.143 ( 9.028 8.712 11.619) 17.100 2.919 ( 3.721 -7.336 -9.613) 12.652 3.138 ( 2.370 -0.997 -1.383) 2.919 3.456 ( -6.511 3.083 6.757) 9.877 4.127 ( -5.374 5.324 -10.365) 12.832 4.522 ( 9.563 10.803 5.890) 15.583 4.878 ( 1.120 0.865 3.954) 4.200 5.291 ( -1.484 1.680 -2.388) 3.275 5.559 ( 3.678 2.707 7.826) 9.061 6.145 ( -4.356 4.627 0.275) 6.361 6.439 ( -0.588 -2.852 7.370) 7.925 6.868 ( 14.006 2.409 0.274) 14.214 7.291 ( -7.486 -5.947 -6.773) 11.717 7.997 ( 2.301 -3.815 3.006) 5.374 8.425 ( -16.751 -0.112 10.918) 19.995 8.747 ( -4.441 9.813 -2.057) 10.966 9.474 ( -0.446 1.706 4.648) 4.972 10.069 ( 10.315 14.373 -14.158) 22.659 10.739 ( -0.799 -0.717 -6.913) 6.996 12.499 ( 4.924 12.482 14.079) 19.449 12.985 ( -3.589 6.280 5.153) 8.881 13.251 ( 4.089 -1.960 1.173) 4.684 13.706 ( 8.405 -6.389 6.153) 12.220 14.092 ( -4.083 -6.824 3.991) 8.898 14.397 ( -1.013 -1.872 1.957) 2.891 14.797 ( -20.994 5.436 2.955) 21.887 15.482 ( 5.075 -1.931 -9.390) 10.846 16.363 ( -9.283 8.388 -19.272) 22.977 17.285 ( -15.204 -7.455 -8.101) 18.771 17.455 ( -8.414 -6.360 -7.943) 13.203 18.520 ( -1.930 -0.512 -21.069) 21.164 19.769 ( -1.628 -7.594 23.972) 25.199 20.911 ( 4.596 2.389 18.385) 19.101 21.958 ( 12.601 4.507 -5.457) 14.452 22.548 ( -0.234 -7.782 -8.138) 11.262 ======================= Grid point 222 (114/260) ======================= q-point: ( 0.30 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 2.791 10.046 15.251) 18.474 2.360 ( 9.935 2.103 7.529) 12.642 2.965 ( -0.481 -8.885 -9.575) 13.071 3.173 ( 1.112 -7.729 -0.676) 7.838 3.391 ( 1.714 4.039 -1.108) 4.525 3.994 ( -6.751 3.869 -12.937) 15.097 4.627 ( -0.124 4.828 -10.776) 11.809 4.873 ( -3.956 -6.121 1.800) 7.507 5.271 ( 4.442 4.390 8.561) 10.597 5.713 ( 7.547 5.464 9.189) 13.086 6.067 ( -2.611 7.374 0.155) 7.824 6.428 ( -0.185 -0.644 8.763) 8.789 7.035 ( -0.212 -4.228 -0.073) 4.234 7.293 ( 9.340 0.834 -3.015) 9.850 7.832 ( -16.440 0.655 9.060) 18.783 8.312 ( 0.675 -0.015 6.363) 6.399 8.623 ( -2.749 8.756 1.116) 9.245 9.422 ( -5.357 -1.905 7.099) 9.096 10.267 ( 8.909 16.104 -13.330) 22.725 10.730 ( -0.196 4.475 -8.100) 9.256 12.562 ( 0.896 13.844 11.604) 18.086 12.924 ( -2.239 10.698 5.988) 12.462 13.369 ( 6.910 -4.904 1.124) 8.548 13.845 ( 2.699 -9.071 3.649) 10.143 13.987 ( -5.601 -1.816 5.696) 8.192 14.257 ( -10.001 8.881 -0.014) 13.375 14.571 ( -1.301 -13.104 6.675) 14.764 15.425 ( -9.338 -7.362 1.554) 11.992 16.302 ( 2.740 5.422 -23.006) 23.795 17.051 ( -7.544 -2.831 -7.560) 11.049 17.294 ( -6.124 -1.744 -12.067) 13.644 18.345 ( -13.289 6.140 -19.197) 24.142 19.812 ( 4.499 -11.455 20.071) 23.543 20.971 ( 0.978 -2.603 16.992) 17.218 22.168 ( 7.729 2.265 -7.703) 11.144 22.538 ( -0.607 -5.569 -8.936) 10.547 ======================= Grid point 223 (115/260) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 8.321 1.159 11.715) 14.416 2.480 ( -0.432 -5.148 5.937) 7.871 2.932 ( 0.380 -3.468 -4.074) 5.364 3.182 ( -1.232 -4.923 -2.875) 5.833 3.507 ( 8.124 -2.795 -6.047) 10.506 3.861 ( -5.773 0.880 -14.616) 15.740 4.588 ( -1.383 1.812 -19.751) 19.882 4.706 ( -10.589 -7.389 -6.946) 14.662 5.443 ( 9.148 4.316 17.047) 19.822 5.828 ( 3.735 4.733 10.200) 11.849 6.062 ( 2.097 5.282 3.214) 6.529 6.415 ( -2.215 3.116 10.823) 11.479 7.012 ( -0.038 0.567 3.573) 3.618 7.314 ( -11.973 1.160 7.075) 13.956 7.741 ( 12.095 2.370 -3.006) 12.686 8.152 ( -12.938 8.765 -2.587) 15.840 8.778 ( 13.678 -0.815 10.099) 17.022 9.257 ( -10.515 -4.470 9.901) 15.118 10.425 ( 6.731 16.138 -10.165) 20.226 10.714 ( -1.499 9.569 -10.762) 14.479 12.546 ( -2.477 14.043 11.939) 18.599 12.891 ( -1.319 14.491 3.029) 14.863 13.476 ( 0.660 -8.400 2.274) 8.728 13.747 ( -3.959 -0.648 4.417) 5.967 13.984 ( 1.953 -5.712 2.644) 6.590 14.145 ( -1.801 -1.276 2.285) 3.177 14.592 ( 1.854 -14.368 6.903) 16.048 15.188 ( -12.128 -9.834 3.731) 16.054 16.395 ( 5.607 5.243 -17.446) 19.061 16.941 ( -3.654 -0.525 -7.534) 8.390 17.257 ( 3.424 4.325 -17.639) 18.481 18.024 ( -16.562 10.050 -18.018) 26.457 19.929 ( 6.084 -11.910 16.607) 21.322 20.958 ( -2.335 -8.521 16.694) 18.888 22.279 ( 3.563 0.222 -9.107) 9.782 22.524 ( -0.458 -2.555 -9.064) 9.429 ======================= Grid point 224 (116/260) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 5.317 -6.153 7.225) 10.878 2.356 ( -6.472 -5.617 6.286) 10.628 2.993 ( 2.634 -1.732 -1.514) 3.497 3.108 ( -4.174 -2.562 -2.199) 5.369 3.658 ( 3.784 -3.327 -10.677) 11.806 3.764 ( -1.733 -2.452 -12.105) 12.471 4.473 ( -9.191 -7.577 -11.660) 16.669 4.634 ( 4.977 3.132 -20.937) 21.747 5.580 ( 2.909 1.908 18.596) 18.918 5.873 ( 0.110 2.831 11.106) 11.462 6.141 ( 4.373 5.297 6.111) 9.194 6.343 ( -3.008 4.661 10.616) 11.978 7.041 ( -2.035 2.619 5.906) 6.774 7.077 ( -4.427 3.034 5.184) 7.462 7.863 ( -9.616 6.552 -3.631) 12.189 8.105 ( 16.847 6.819 -6.356) 19.254 8.965 ( -11.093 -5.529 15.511) 19.855 9.113 ( 11.009 -3.933 8.683) 14.563 10.538 ( 3.960 14.500 -6.805) 16.499 10.659 ( -3.312 13.215 -14.401) 19.824 12.474 ( -4.423 15.297 13.952) 21.171 12.856 ( -2.408 14.399 1.120) 14.642 13.402 ( -4.379 -8.221 1.623) 9.455 13.775 ( 2.706 -1.215 2.979) 4.204 14.004 ( -0.212 -8.721 6.291) 10.756 14.173 ( 5.209 -5.431 0.855) 7.573 14.614 ( -0.797 -11.954 6.407) 13.587 14.979 ( -7.071 -8.914 2.565) 11.663 16.512 ( 5.963 5.264 -13.044) 15.278 16.904 ( 0.274 2.668 -8.927) 9.321 17.372 ( 4.313 5.454 -19.730) 20.919 17.735 ( -7.473 11.116 -16.279) 21.081 20.050 ( 5.220 -9.928 14.758) 18.537 20.890 ( -4.335 -13.161 16.402) 21.472 22.318 ( 0.448 -1.240 -9.757) 9.846 22.524 ( 0.866 -0.149 -8.592) 8.637 ======================= Grid point 225 (117/260) ======================= q-point: (-0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -11.587 1.438 5.916) 13.089 2.427 ( -1.119 -6.495 8.661) 10.884 2.953 ( -1.473 -1.389 -5.114) 5.500 3.114 ( 1.861 -8.160 -0.323) 8.376 3.607 ( -4.518 -0.387 -10.870) 11.778 3.807 ( 2.225 -1.769 -7.705) 8.212 4.369 ( -0.086 -3.153 -13.487) 13.851 4.763 ( 6.196 3.650 -16.469) 17.970 5.570 ( -2.824 -0.242 16.638) 16.877 5.819 ( -5.614 0.528 12.145) 13.390 6.152 ( -3.002 9.979 5.667) 11.863 6.385 ( 4.861 5.442 8.302) 11.053 6.933 ( -1.226 -0.823 3.973) 4.239 7.157 ( 5.793 2.521 2.205) 6.691 7.734 ( -1.505 3.126 -3.803) 5.148 8.453 ( 14.504 10.679 -3.645) 18.376 8.645 ( -16.004 -6.272 15.121) 22.893 9.384 ( 11.967 -4.880 9.858) 16.255 10.499 ( -7.018 16.389 -12.613) 21.839 10.659 ( 2.993 10.264 -10.577) 15.040 12.384 ( -4.375 16.992 16.884) 24.350 12.795 ( -2.994 11.621 2.331) 12.225 13.346 ( -1.321 -7.352 -0.003) 7.470 13.785 ( -1.774 -2.424 2.780) 4.093 13.997 ( -0.283 -6.986 5.133) 8.674 14.331 ( 6.489 -10.089 1.224) 12.058 14.576 ( 1.233 -5.696 6.229) 8.530 14.920 ( 0.450 -9.003 0.756) 9.046 16.637 ( 6.719 5.902 -12.458) 15.336 16.893 ( -4.123 6.292 -17.477) 19.027 17.352 ( 0.602 2.842 -9.024) 9.480 17.833 ( 12.764 8.563 -16.608) 22.629 20.138 ( 2.900 -7.065 14.675) 16.543 20.799 ( -4.501 -14.799 15.786) 22.101 22.294 ( -2.715 -0.628 -9.212) 9.624 22.557 ( 2.237 -0.164 -8.220) 8.520 ======================= Grid point 226 (118/260) ======================= q-point: (-0.30 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( -7.025 11.321 9.894) 16.595 2.255 ( -13.196 0.828 9.011) 16.001 2.966 ( -0.031 -6.581 -12.173) 13.838 3.155 ( 2.303 -11.481 3.467) 12.213 3.538 ( -0.696 2.170 -0.411) 2.316 3.853 ( 3.193 2.686 -9.656) 10.519 4.415 ( 2.704 2.513 -9.947) 10.610 4.822 ( -0.839 5.726 -6.108) 8.414 5.517 ( -3.044 0.077 9.589) 10.061 5.698 ( -3.781 -0.102 9.974) 10.667 6.047 ( -6.351 10.871 4.161) 13.259 6.475 ( 3.693 4.109 6.976) 8.899 7.003 ( 6.808 -5.126 -2.297) 8.826 7.276 ( 4.559 0.523 -0.383) 4.605 7.781 ( 2.769 0.380 -0.744) 2.892 8.297 ( -10.052 -5.055 14.739) 18.543 8.762 ( 11.325 12.680 -1.822) 17.099 9.567 ( 4.950 -3.879 8.886) 10.886 10.320 ( -9.565 17.027 -17.009) 25.898 10.714 ( 2.310 4.950 -8.997) 10.526 12.303 ( -3.732 16.207 21.122) 26.884 12.759 ( -0.237 10.006 3.230) 10.517 13.335 ( 0.055 -6.334 -0.959) 6.406 13.721 ( -4.340 -4.111 5.008) 7.798 13.995 ( 0.322 -3.855 1.700) 4.225 14.311 ( -4.328 -3.272 2.237) 5.869 14.784 ( 10.257 -7.492 8.236) 15.139 15.000 ( 11.655 -9.256 -3.374) 15.261 16.704 ( -10.373 6.789 -25.164) 28.052 16.807 ( 8.836 5.099 -13.610) 17.009 17.494 ( 10.772 -0.339 -1.600) 10.896 18.119 ( 14.410 5.927 -15.155) 21.736 20.173 ( 0.411 -4.207 16.206) 16.749 20.714 ( -4.172 -12.777 15.507) 20.521 22.202 ( -6.266 0.708 -7.669) 9.929 22.599 ( 1.660 -1.455 -7.942) 8.243 ======================= Grid point 227 (119/260) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 1.409 18.691 13.305) 22.986 1.979 ( -12.371 5.373 10.730) 17.235 2.934 ( -1.830 -5.787 -10.656) 12.263 3.155 ( -2.627 -5.936 3.083) 7.186 3.609 ( 6.123 0.634 8.274) 10.313 3.932 ( 4.120 4.790 -8.029) 10.217 4.421 ( -2.200 9.933 -2.950) 10.593 4.767 ( -2.675 4.303 0.857) 5.139 5.389 ( -9.111 9.982 3.993) 14.092 5.728 ( 5.117 0.450 4.040) 6.535 5.966 ( -0.413 -0.223 5.404) 5.424 6.519 ( 0.281 -0.269 6.399) 6.411 7.083 ( -5.274 -0.046 -0.818) 5.337 7.374 ( 7.760 -0.376 -4.874) 9.172 7.692 ( -5.051 -7.290 -1.724) 9.035 8.402 ( 15.928 -1.271 10.247) 18.982 8.916 ( 2.773 11.100 -3.042) 11.838 9.572 ( -4.008 1.141 6.832) 8.003 10.122 ( -9.177 15.618 -16.316) 24.379 10.755 ( 1.952 -1.478 -8.908) 9.238 12.242 ( -2.387 12.381 23.750) 26.890 12.789 ( 3.015 9.337 1.831) 9.981 13.344 ( 0.637 -8.120 2.236) 8.446 13.616 ( -5.603 -3.702 7.483) 10.055 14.019 ( 1.639 1.960 1.915) 3.193 14.269 ( 2.014 -0.025 -3.533) 4.067 14.824 ( -2.812 -7.123 4.359) 8.812 15.443 ( 25.462 -6.604 1.784) 26.365 16.491 ( -7.971 4.561 -27.429) 28.925 17.033 ( 12.897 2.756 -17.028) 21.538 17.699 ( 7.646 -2.874 -1.531) 8.310 18.399 ( 12.499 3.141 -14.350) 19.287 20.169 ( -0.800 -0.814 18.673) 18.707 20.621 ( -5.360 -8.940 17.468) 20.342 22.028 ( -10.634 2.466 -5.347) 12.156 22.613 ( -0.274 -3.401 -7.424) 8.171 ======================= Grid point 228 (120/260) ======================= q-point: (-0.10 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -5.541 7.944 13.042) 16.246 1.947 ( 7.029 17.956 12.685) 23.081 2.914 ( -0.003 1.433 -3.692) 3.960 3.078 ( -4.152 0.055 2.481) 4.837 3.716 ( 3.083 -2.299 15.420) 15.892 3.984 ( 0.337 5.986 -2.546) 6.513 4.379 ( 0.114 15.989 -0.430) 15.995 4.760 ( 1.951 2.563 0.293) 3.234 5.190 ( -9.039 14.512 1.236) 17.141 5.844 ( 4.327 1.443 2.036) 4.995 6.014 ( 4.199 -6.296 7.499) 10.654 6.505 ( -1.155 -5.182 4.858) 7.196 6.808 ( -16.584 8.024 6.412) 19.507 7.422 ( -1.889 -5.757 -6.676) 9.016 7.892 ( 20.709 -6.484 -12.683) 25.135 8.693 ( 2.111 2.733 3.729) 5.083 8.873 ( -0.188 3.183 -3.493) 4.729 9.492 ( -1.511 4.870 8.254) 9.702 9.931 ( -9.430 15.633 -12.541) 22.149 10.788 ( 1.180 -5.965 -8.974) 10.840 12.221 ( 0.197 9.570 22.966) 24.881 12.873 ( 4.898 7.547 -1.875) 9.191 13.341 ( -1.508 -12.601 8.258) 15.141 13.514 ( -4.006 0.214 9.879) 10.663 14.051 ( 1.875 3.137 5.919) 6.956 14.426 ( 12.001 1.416 -13.279) 17.954 14.734 ( -4.596 -6.802 0.566) 8.229 15.809 ( 4.246 -0.297 -1.781) 4.614 16.483 ( 10.330 4.933 -19.313) 22.450 17.332 ( 16.853 -0.848 -22.067) 27.779 17.780 ( 0.661 -5.952 -2.593) 6.526 18.561 ( 0.805 -0.701 -16.394) 16.428 20.155 ( -1.100 2.690 20.396) 20.602 20.519 ( -3.341 -5.561 23.513) 24.391 21.780 ( -12.331 6.149 -2.336) 13.976 22.592 ( -1.376 -5.937 -6.756) 9.098 ======================= Grid point 229 (121/260) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 2.922 6.602 5.786) 9.252 2.177 ( 2.727 -0.820 4.438) 5.272 2.966 ( -2.420 2.858 2.853) 4.708 3.136 ( 1.490 2.145 5.687) 6.258 3.766 ( 0.836 4.879 14.440) 15.265 3.978 ( 0.384 -3.718 1.585) 4.060 4.779 ( 1.314 8.392 1.130) 8.569 4.852 ( 7.482 5.400 2.880) 9.666 5.270 ( -6.589 9.360 5.693) 12.784 5.703 ( -8.602 -11.365 2.395) 14.453 6.026 ( 7.386 -3.226 4.847) 9.405 6.461 ( 2.312 1.022 -1.358) 2.870 6.749 ( -7.909 7.729 3.477) 11.593 7.234 ( 1.978 -7.261 -7.467) 10.601 8.313 ( 10.469 0.443 -9.469) 14.123 8.362 ( -9.999 -2.104 -11.478) 15.367 9.141 ( 3.160 9.291 11.700) 15.271 9.342 ( -3.880 -9.656 14.800) 18.092 10.206 ( -2.032 18.680 -12.194) 22.401 10.601 ( -0.022 -11.897 -10.075) 15.590 12.518 ( 3.880 14.397 15.457) 21.476 12.971 ( 0.045 -15.539 12.065) 19.673 13.075 ( 3.594 1.801 -4.593) 6.103 13.532 ( 0.258 2.742 10.896) 11.238 14.094 ( -2.580 -0.039 9.027) 9.389 14.431 ( -6.369 -2.570 -1.412) 7.012 14.822 ( 18.009 -1.286 -14.477) 23.142 15.709 ( -11.327 1.006 -12.773) 17.102 16.887 ( 11.088 6.279 -4.008) 13.358 17.517 ( -6.459 -4.461 -12.271) 14.567 17.769 ( 18.304 -1.781 -21.310) 28.148 18.283 ( -20.208 -2.411 -15.368) 25.502 20.091 ( -10.560 0.519 20.306) 22.893 20.576 ( 11.990 0.021 28.437) 30.862 21.772 ( -1.057 6.030 -1.194) 6.238 22.423 ( -2.555 -5.137 -6.677) 8.803 ======================= Grid point 230 (122/260) ======================= q-point: ( 0.10 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 6.513 5.900 5.096) 10.158 2.249 ( 3.774 1.136 6.885) 7.933 2.883 ( -4.794 2.490 2.422) 5.920 3.123 ( -2.804 -1.549 3.943) 5.080 3.677 ( -6.793 4.919 5.492) 10.025 4.103 ( 7.721 -2.529 6.654) 10.501 4.724 ( -3.851 7.568 -2.360) 8.813 4.970 ( 0.461 10.353 7.369) 12.716 5.264 ( 5.693 2.328 -0.095) 6.151 5.526 ( -6.735 -9.677 4.875) 12.758 6.119 ( 2.053 -3.687 3.758) 5.651 6.485 ( 0.195 2.891 1.002) 3.066 6.750 ( 6.566 5.415 -1.206) 8.596 7.290 ( 0.146 -5.056 -5.079) 7.167 7.934 ( -11.883 -2.920 -6.580) 13.894 8.736 ( 13.650 1.272 -7.419) 15.588 8.873 ( -19.977 2.397 15.493) 25.395 9.453 ( 5.584 -2.103 10.542) 12.114 10.206 ( 2.925 14.955 -15.007) 21.387 10.620 ( 1.988 -8.825 -7.394) 11.683 12.624 ( 5.744 13.374 12.655) 19.287 12.994 ( 1.885 -11.999 10.290) 15.919 13.143 ( 2.776 1.241 -3.276) 4.469 13.565 ( 2.863 2.934 9.287) 10.152 14.041 ( -2.729 -3.528 6.627) 7.988 14.324 ( -3.410 -2.918 0.396) 4.505 15.134 ( 7.273 -1.404 1.189) 7.502 15.448 ( -9.489 2.939 -23.314) 25.342 16.924 ( -9.840 16.732 -6.717) 20.541 17.281 ( -12.591 -16.096 -12.273) 23.838 17.659 ( -19.972 -1.540 -9.804) 22.301 18.316 ( 16.322 -1.876 -22.574) 27.920 19.849 ( -11.816 -0.862 23.654) 26.455 20.822 ( 9.496 1.193 24.678) 26.469 21.854 ( 8.375 6.217 -2.277) 10.676 22.394 ( -0.185 -6.021 -8.210) 10.183 ======================= Grid point 231 (123/260) ======================= q-point: ( 0.20 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 4.180 4.789 6.410) 9.028 2.324 ( 3.598 6.652 9.961) 12.507 2.808 ( -1.826 -2.404 -2.574) 3.967 3.048 ( -3.464 -5.581 3.302) 7.352 3.547 ( -5.395 3.928 -1.427) 6.824 4.169 ( -2.517 0.069 -0.113) 2.520 4.699 ( 1.092 4.739 -4.098) 6.359 4.909 ( -5.169 2.795 4.386) 7.333 5.291 ( -1.806 -1.124 -2.828) 3.539 5.579 ( 9.775 -0.307 10.350) 14.239 6.158 ( 2.063 -0.675 1.119) 2.442 6.473 ( -1.823 2.805 3.705) 4.992 6.915 ( 6.911 1.772 -2.160) 7.455 7.195 ( -3.440 -3.175 -6.427) 7.951 7.937 ( 7.282 -1.817 4.562) 8.783 8.424 ( -20.951 0.008 15.060) 25.802 8.871 ( -1.018 2.985 -3.582) 4.773 9.494 ( -1.683 0.499 10.061) 10.213 10.332 ( 9.051 10.243 -18.091) 22.674 10.679 ( 3.707 -4.378 -6.092) 8.368 12.734 ( 4.205 9.751 9.072) 13.967 13.044 ( 2.367 -1.846 11.024) 11.425 13.195 ( 3.221 -1.460 -4.124) 5.433 13.642 ( 3.966 -0.494 8.173) 9.098 13.986 ( -2.630 -3.205 4.179) 5.886 14.294 ( 0.080 -4.853 4.668) 6.734 14.904 ( -21.149 3.196 7.070) 22.527 15.467 ( 1.109 0.041 -11.845) 11.897 16.544 ( -17.512 7.959 -21.124) 28.570 17.112 ( -5.785 -7.977 -7.541) 12.408 17.372 ( -8.824 -1.993 -10.352) 13.748 18.517 ( 2.613 0.034 -23.933) 24.076 19.670 ( -5.137 -2.542 26.210) 26.829 20.944 ( 2.171 0.924 21.979) 22.105 22.057 ( 9.948 4.342 -4.232) 11.650 22.406 ( 1.381 -5.415 -10.059) 11.507 ======================= Grid point 232 (124/260) ======================= q-point: ( 0.30 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( -0.634 8.523 12.810) 15.400 2.390 ( 1.198 -0.148 9.841) 9.915 2.809 ( 2.035 -4.985 -6.739) 8.626 3.027 ( 1.862 -5.488 -1.321) 5.944 3.473 ( -1.418 2.874 -5.932) 6.742 4.045 ( -8.004 1.335 -4.215) 9.144 4.669 ( -4.801 -0.421 -15.691) 16.414 4.783 ( -6.959 -1.774 -3.593) 8.031 5.344 ( 6.942 2.233 10.577) 12.847 5.776 ( 8.060 1.319 9.253) 12.342 6.161 ( -2.362 2.290 -1.306) 3.539 6.455 ( 1.250 1.884 8.278) 8.582 6.973 ( 1.447 -1.846 -2.219) 3.229 7.306 ( 10.660 0.392 -1.606) 10.788 7.843 ( -16.782 0.378 11.774) 20.504 8.292 ( 6.805 -0.945 9.154) 11.445 8.758 ( -7.008 3.872 -1.964) 8.244 9.397 ( -7.659 -0.610 11.727) 14.020 10.525 ( 8.955 8.856 -16.321) 20.616 10.761 ( 4.161 -0.802 -8.159) 9.194 12.787 ( 0.960 7.603 5.617) 9.501 13.071 ( 0.183 2.977 10.945) 11.345 13.298 ( 5.973 -1.196 -4.128) 7.358 13.703 ( 1.297 -4.234 9.446) 10.432 13.936 ( -2.281 -1.634 6.012) 6.635 14.314 ( 1.621 -6.517 6.929) 9.649 14.463 ( -19.552 4.517 4.911) 20.659 15.315 ( -13.452 -3.300 3.584) 14.307 16.393 ( 1.253 3.019 -25.133) 25.344 17.002 ( -4.572 -1.645 -8.277) 9.598 17.267 ( -1.067 -0.790 -17.222) 17.273 18.433 ( -9.394 2.421 -23.548) 25.468 19.654 ( 2.630 -4.267 25.005) 25.503 20.931 ( -3.378 -1.189 21.092) 21.394 22.219 ( 5.492 2.266 -6.430) 8.754 22.441 ( 2.083 -3.503 -10.617) 11.372 ======================= Grid point 233 (125/260) ======================= q-point: ( 0.40 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 0.247 5.963 15.184) 16.315 2.348 ( -4.656 -8.031 11.064) 14.443 2.892 ( 5.395 0.164 -8.126) 9.756 3.091 ( 2.917 -3.830 -6.875) 8.393 3.492 ( 3.264 0.306 -6.817) 7.565 3.875 ( -8.052 0.433 -4.553) 9.261 4.522 ( -8.819 -4.357 -14.704) 17.691 4.659 ( -3.192 0.280 -20.590) 20.838 5.513 ( 7.639 2.133 18.196) 19.849 5.894 ( 3.389 1.837 8.860) 9.662 6.133 ( 1.048 1.838 1.640) 2.677 6.471 ( -1.489 1.798 10.163) 10.427 7.030 ( 3.913 0.792 2.713) 4.827 7.325 ( -11.894 0.131 8.945) 14.883 7.771 ( 14.094 0.738 -1.937) 14.246 8.264 ( -11.250 2.719 -3.453) 12.078 8.784 ( 10.405 0.729 9.787) 14.303 9.194 ( -12.078 -1.816 14.242) 18.762 10.669 ( 5.299 7.583 -11.364) 14.654 10.832 ( 2.391 2.457 -12.790) 13.241 12.781 ( -1.554 8.470 8.182) 11.878 13.069 ( -0.576 2.400 5.173) 5.732 13.354 ( -2.143 -2.396 1.074) 3.389 13.721 ( 1.875 -0.855 9.192) 9.420 13.897 ( -1.528 -2.726 8.237) 8.810 14.180 ( -7.578 1.748 2.239) 8.093 14.360 ( 2.710 -6.813 6.326) 9.683 15.035 ( -12.397 -4.822 5.785) 14.505 16.469 ( 5.105 2.033 -17.643) 18.479 16.932 ( -1.846 -0.318 -8.549) 8.752 17.325 ( 6.464 2.092 -24.471) 25.396 18.171 ( -14.523 4.259 -23.035) 27.563 19.758 ( 6.574 -4.782 22.106) 23.553 20.829 ( -6.463 -3.845 20.958) 22.266 22.286 ( 1.691 0.322 -8.457) 8.631 22.484 ( 2.081 -1.228 -9.707) 10.003 ======================= Grid point 234 (126/260) ======================= q-point: (-0.50 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( -1.427 -3.208 15.454) 15.848 2.265 ( -0.776 -2.923 11.169) 11.571 2.982 ( 2.372 0.270 -8.312) 8.648 3.092 ( -3.092 0.094 -9.620) 10.105 3.598 ( 6.478 -2.169 -5.660) 8.871 3.727 ( -5.662 -1.144 -3.007) 6.512 4.346 ( -6.598 -3.942 -17.789) 19.378 4.674 ( 4.809 0.936 -25.366) 25.835 5.614 ( 1.201 1.170 20.209) 20.279 5.924 ( -1.072 1.736 10.356) 10.555 6.210 ( 5.780 1.728 5.095) 7.896 6.411 ( -2.293 1.946 8.945) 9.437 7.077 ( -7.585 0.961 6.734) 10.188 7.127 ( 1.743 1.567 6.307) 6.728 7.950 ( -11.164 2.261 -7.352) 13.557 8.192 ( 19.023 2.133 -5.592) 19.942 8.898 ( -14.795 -1.519 17.697) 23.117 9.060 ( 12.371 -1.487 12.169) 17.417 10.748 ( 2.651 6.014 -8.000) 10.354 10.838 ( -1.710 4.739 -16.709) 17.452 12.734 ( -2.911 9.506 14.340) 17.449 13.036 ( -2.979 3.190 1.266) 4.544 13.267 ( -4.044 -4.287 3.841) 7.035 13.744 ( -1.810 -1.959 5.668) 6.265 13.900 ( 1.928 -1.424 7.385) 7.764 14.131 ( 2.358 -0.024 2.246) 3.257 14.423 ( 3.086 -5.999 5.614) 8.776 14.834 ( -6.895 -4.803 5.295) 9.932 16.582 ( 6.088 1.811 -12.342) 13.881 16.935 ( 2.210 0.670 -9.377) 9.657 17.460 ( 3.906 2.751 -26.987) 27.406 17.903 ( -7.717 5.029 -21.619) 23.499 19.907 ( 7.110 -4.042 19.671) 21.303 20.692 ( -6.757 -5.865 20.743) 22.591 22.301 ( 0.048 -0.484 -9.253) 9.266 22.521 ( 1.743 -0.123 -8.747) 8.920 ======================= Grid point 235 (127/260) ======================= q-point: (-0.40 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -2.903 1.463 13.689) 14.070 2.319 ( 3.036 -4.138 11.492) 12.586 2.918 ( -7.506 -1.027 -5.733) 9.501 3.031 ( -2.144 -1.560 -11.223) 11.532 3.609 ( -2.870 0.570 -0.666) 3.001 3.768 ( 6.717 -1.808 -4.788) 8.444 4.296 ( 2.566 -2.773 -19.803) 20.161 4.812 ( 7.610 1.287 -21.519) 22.861 5.575 ( -4.253 0.423 18.009) 18.510 5.833 ( -7.720 0.553 11.098) 13.530 6.288 ( 1.368 3.574 5.653) 6.827 6.476 ( 6.612 2.922 7.988) 10.773 6.921 ( -5.727 -0.390 2.302) 6.185 7.195 ( 3.742 1.154 4.442) 5.922 7.770 ( -3.712 0.769 -5.107) 6.361 8.552 ( -17.972 -1.903 17.369) 25.066 8.610 ( 19.387 3.732 -4.507) 20.251 9.313 ( 10.979 -2.079 13.706) 17.683 10.734 ( -5.716 6.796 -15.092) 17.511 10.798 ( -0.087 3.506 -12.086) 12.584 12.678 ( -2.957 10.935 19.496) 22.548 12.957 ( -3.815 4.231 0.758) 5.748 13.217 ( -1.332 -5.112 1.125) 5.401 13.670 ( -4.516 -5.811 8.589) 11.310 13.931 ( 0.948 -1.510 1.995) 2.676 14.245 ( 6.289 0.249 3.712) 7.307 14.498 ( 5.872 -1.849 5.122) 8.009 14.762 ( -0.405 -5.841 3.529) 6.837 16.713 ( 6.928 1.917 -10.747) 12.930 16.970 ( -1.666 1.747 -18.191) 18.350 17.409 ( -2.698 2.088 -16.071) 16.430 17.962 ( 10.567 3.856 -21.240) 24.035 20.038 ( 4.951 -2.745 18.906) 19.735 20.580 ( -4.050 -6.408 19.748) 21.153 22.282 ( -1.977 -0.402 -8.823) 9.051 22.555 ( 1.668 -0.051 -8.077) 8.247 ======================= Grid point 236 (128/260) ======================= q-point: (-0.30 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( -0.967 6.481 11.843) 13.535 2.305 ( -5.740 3.195 6.113) 8.973 2.814 ( -0.636 -6.880 -1.528) 7.076 2.982 ( -1.430 -5.008 -5.351) 7.467 3.584 ( 0.362 1.683 2.743) 3.239 3.893 ( 5.749 1.231 -8.010) 9.936 4.420 ( 8.259 -0.872 -15.012) 17.156 4.907 ( 0.160 2.465 -8.573) 8.922 5.511 ( -0.945 -0.246 8.479) 8.535 5.666 ( -6.531 -1.470 10.677) 12.602 6.254 ( -6.376 7.140 4.788) 10.703 6.554 ( 0.323 2.782 6.805) 7.358 6.911 ( 6.316 -3.498 -5.482) 9.065 7.281 ( 3.710 0.088 0.331) 3.726 7.784 ( 0.489 -0.018 1.822) 1.887 8.227 ( -8.951 -1.908 17.499) 19.748 8.945 ( 12.255 5.321 -4.437) 14.078 9.496 ( 6.353 -2.504 14.257) 15.808 10.569 ( -9.116 7.318 -19.269) 22.538 10.777 ( -2.297 1.361 -10.988) 11.308 12.599 ( -5.038 11.636 21.487) 24.949 12.915 ( -0.150 5.161 1.097) 5.278 13.186 ( -2.365 -7.723 -0.337) 8.084 13.588 ( -3.065 -5.311 11.697) 13.207 13.972 ( 3.912 -0.896 -2.899) 4.951 14.291 ( -1.211 1.158 6.427) 6.641 14.693 ( 5.760 -1.850 7.430) 9.581 14.857 ( 15.715 -4.871 -1.852) 16.557 16.796 ( -11.430 2.506 -26.487) 28.957 16.872 ( 8.048 1.646 -14.629) 16.778 17.495 ( 8.765 0.187 -3.921) 9.604 18.205 ( 12.353 2.446 -18.692) 22.539 20.114 ( 2.413 -1.597 20.346) 20.551 20.533 ( -1.285 -5.059 18.002) 18.744 22.208 ( -5.253 0.083 -7.291) 8.987 22.579 ( 0.465 -0.566 -7.613) 7.648 ======================= Grid point 237 (129/260) ======================= q-point: (-0.20 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -5.308 4.194 5.631) 8.802 2.165 ( -4.087 8.377 5.206) 10.676 2.860 ( 3.885 0.630 0.461) 3.963 3.006 ( 3.497 -8.649 4.207) 10.234 3.615 ( 2.316 0.236 5.909) 6.351 4.002 ( 4.527 1.871 -7.849) 9.252 4.572 ( 5.943 4.486 -7.099) 10.288 4.828 ( -5.447 1.884 3.827) 6.919 5.495 ( -1.312 1.843 4.318) 4.875 5.671 ( 6.226 -3.358 6.084) 9.330 6.052 ( -11.369 5.303 1.922) 12.691 6.510 ( -3.806 -1.014 3.547) 5.300 7.110 ( 6.466 1.820 -5.487) 8.674 7.367 ( 8.027 -0.225 -3.676) 8.832 7.570 ( -14.941 -4.166 3.917) 15.998 8.386 ( 18.349 -0.374 13.060) 22.525 9.064 ( -1.754 3.914 -5.379) 6.880 9.566 ( 0.050 -0.675 14.714) 14.730 10.389 ( -7.316 9.376 -18.468) 21.966 10.704 ( -4.126 -3.088 -11.627) 12.718 12.506 ( -3.690 11.944 21.082) 24.510 12.933 ( 1.544 4.703 0.800) 5.014 13.110 ( -4.544 -12.408 2.096) 13.379 13.553 ( -0.893 -1.548 12.767) 12.892 14.105 ( 7.917 3.278 -4.113) 9.505 14.258 ( -0.180 0.025 2.243) 2.250 14.696 ( -3.033 -4.689 4.103) 6.929 15.364 ( 28.641 -1.820 2.985) 28.854 16.563 ( -8.608 2.186 -31.782) 33.000 17.066 ( 10.719 0.792 -14.613) 18.140 17.656 ( 5.344 -1.276 -3.071) 6.295 18.443 ( 10.403 1.205 -17.009) 19.975 20.158 ( 1.867 -0.279 23.059) 23.136 20.503 ( -2.549 -3.043 17.904) 18.339 22.064 ( -8.516 1.048 -4.900) 9.881 22.560 ( -2.220 -1.585 -7.028) 7.539 ======================= Grid point 238 (130/260) ======================= q-point: (-0.10 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( -3.655 5.873 4.775) 8.405 2.144 ( 0.495 2.339 4.260) 4.885 2.950 ( 3.824 5.119 2.058) 6.713 3.082 ( 3.170 -2.846 7.248) 8.407 3.682 ( 4.261 -0.730 10.548) 11.400 4.036 ( -1.885 0.492 -2.053) 2.830 4.667 ( 4.831 10.306 0.137) 11.383 4.782 ( 1.352 -0.253 3.467) 3.730 5.432 ( -6.532 8.941 6.008) 12.598 5.831 ( 4.750 -5.175 4.848) 8.535 5.866 ( -2.527 -3.278 0.769) 4.210 6.444 ( -1.540 -1.364 -0.821) 2.215 7.004 ( -13.654 10.348 6.237) 18.232 7.270 ( -6.058 -9.002 -5.321) 12.085 7.806 ( 24.939 -2.114 -12.296) 27.886 8.727 ( 1.206 0.833 3.514) 3.807 8.918 ( 0.016 1.279 0.017) 1.280 9.504 ( -6.370 -0.697 15.418) 16.696 10.273 ( -4.113 15.364 -14.178) 21.307 10.628 ( -2.562 -9.584 -11.598) 15.262 12.472 ( 0.201 13.267 18.807) 23.017 12.970 ( 1.283 -1.965 5.505) 5.984 13.036 ( -1.426 -10.207 0.326) 10.311 13.539 ( -0.803 0.872 12.205) 12.262 14.144 ( -2.214 4.160 8.994) 10.154 14.431 ( 13.503 0.172 -13.426) 19.042 14.604 ( -4.145 -5.293 -0.535) 6.744 15.803 ( 7.182 -0.222 -0.024) 7.185 16.569 ( 13.151 2.830 -22.868) 26.531 17.320 ( 15.024 -0.350 -20.009) 25.024 17.687 ( -1.999 -2.883 -4.263) 5.521 18.551 ( -2.455 -0.279 -18.635) 18.798 20.199 ( 0.527 1.414 23.319) 23.368 20.446 ( -1.234 -1.938 23.365) 23.477 21.880 ( -8.311 3.301 -2.321) 9.239 22.493 ( -3.800 -3.280 -6.429) 8.157 ======================= Grid point 279 (131/260) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -2.927 0.000 23.995) 24.173 1.755 ( 12.314 0.000 24.074) 27.040 2.432 ( -7.735 0.000 9.801) 12.486 3.078 ( 0.785 0.000 -19.340) 19.355 3.779 ( -9.321 0.000 -1.508) 9.442 3.809 ( -5.573 0.000 -7.717) 9.519 4.067 ( 12.193 0.000 14.076) 18.623 4.306 ( 7.298 0.000 18.337) 19.736 5.057 ( 7.771 0.000 7.092) 10.521 5.506 ( -0.634 0.000 -0.078) 0.639 6.338 ( -8.663 0.000 9.127) 12.584 6.549 ( -8.229 0.000 17.011) 18.897 7.100 ( 1.090 0.000 6.815) 6.901 7.561 ( -1.270 0.000 -13.276) 13.336 7.956 ( 7.093 0.000 -3.734) 8.016 8.025 ( 7.577 0.000 -20.825) 22.161 8.372 ( -4.784 0.000 -15.768) 16.478 8.586 ( -0.477 0.000 -5.042) 5.064 10.148 ( -1.856 0.000 10.523) 10.685 10.722 ( -1.921 0.000 -6.902) 7.164 12.592 ( 8.017 0.000 2.576) 8.421 12.977 ( -11.552 0.000 -3.223) 11.993 13.302 ( -3.320 0.000 8.746) 9.355 13.595 ( 9.520 0.000 -5.219) 10.857 14.123 ( 8.461 0.000 10.487) 13.475 14.401 ( -0.602 0.000 -1.948) 2.039 15.016 ( 0.837 0.000 2.589) 2.721 15.440 ( -4.264 0.000 -0.347) 4.278 16.071 ( -11.763 0.000 -9.197) 14.931 17.255 ( 11.286 0.000 -23.348) 25.933 18.095 ( -2.997 0.000 3.804) 4.843 18.636 ( 7.087 0.000 -9.464) 11.823 20.349 ( 5.937 0.000 12.197) 13.565 20.931 ( -17.769 0.000 3.521) 18.114 21.434 ( 7.017 0.000 10.881) 12.948 22.661 ( 1.295 0.000 -9.548) 9.636 ======================= Grid point 280 (132/260) ======================= q-point: ( 0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 11.482 0.000 22.932) 25.646 1.884 ( -0.271 0.000 22.433) 22.434 2.490 ( 13.546 0.000 5.752) 14.716 3.089 ( 0.772 0.000 -20.309) 20.324 3.558 ( -11.280 0.000 -5.146) 12.398 3.660 ( -7.636 0.000 -3.090) 8.238 4.285 ( 8.245 0.000 14.512) 16.690 4.584 ( 17.573 0.000 14.206) 22.597 5.123 ( -1.482 0.000 4.852) 5.073 5.506 ( 0.961 0.000 2.511) 2.688 6.315 ( -10.935 0.000 11.480) 15.854 6.432 ( 12.432 0.000 7.156) 14.344 7.084 ( -2.658 0.000 7.377) 7.841 7.537 ( -0.944 0.000 -13.072) 13.106 7.964 ( -2.253 0.000 -0.780) 2.384 8.176 ( 0.574 0.000 -11.775) 11.789 8.389 ( 8.447 0.000 -18.682) 20.503 8.556 ( -1.602 0.000 -6.060) 6.268 10.067 ( -5.536 0.000 9.455) 10.957 10.640 ( -5.771 0.000 -5.711) 8.119 12.662 ( -8.741 0.000 5.525) 10.341 12.825 ( 4.094 0.000 0.529) 4.128 13.277 ( 0.323 0.000 8.701) 8.707 13.609 ( -6.310 0.000 -3.110) 7.035 14.281 ( 4.543 0.000 3.833) 5.944 14.353 ( -1.858 0.000 1.266) 2.248 15.015 ( -1.040 0.000 -0.849) 1.343 15.405 ( -0.377 0.000 6.273) 6.284 15.896 ( -2.468 0.000 -16.253) 16.439 17.333 ( -2.847 0.000 -21.100) 21.291 17.970 ( -9.320 0.000 3.228) 9.863 18.689 ( -3.226 0.000 -10.541) 11.023 20.467 ( 1.610 0.000 12.450) 12.554 20.699 ( -0.244 0.000 6.207) 6.212 21.646 ( 11.952 0.000 4.767) 12.868 22.670 ( -0.281 0.000 -9.624) 9.628 ======================= Grid point 281 (133/260) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 3.178 0.000 15.981) 16.294 1.974 ( 18.097 0.000 17.205) 24.971 2.851 ( 18.252 0.000 -2.019) 18.363 3.122 ( 3.692 0.000 -20.163) 20.498 3.321 ( -11.562 0.000 -9.628) 15.046 3.522 ( -5.257 0.000 -4.062) 6.644 4.410 ( 3.537 0.000 12.897) 13.373 4.984 ( 20.520 0.000 16.161) 26.120 5.055 ( -4.664 0.000 2.685) 5.382 5.559 ( 4.442 0.000 8.721) 9.787 6.054 ( -11.865 0.000 8.401) 14.539 6.760 ( 13.896 0.000 -4.738) 14.682 7.010 ( -3.906 0.000 8.229) 9.109 7.504 ( -2.628 0.000 -9.437) 9.796 7.896 ( -4.741 0.000 1.580) 4.997 8.091 ( -8.172 0.000 -3.523) 8.899 8.478 ( 2.154 0.000 -7.433) 7.739 8.686 ( 13.430 0.000 -14.936) 20.087 9.955 ( -4.878 0.000 6.844) 8.405 10.490 ( -8.698 0.000 -3.712) 9.457 12.454 ( -8.828 0.000 7.768) 11.759 12.873 ( -5.181 0.000 8.802) 10.213 13.241 ( -2.687 0.000 11.352) 11.665 13.557 ( 5.243 0.000 -7.192) 8.901 14.218 ( -5.449 0.000 -3.332) 6.387 14.441 ( 5.411 0.000 9.273) 10.737 15.018 ( 1.653 0.000 0.113) 1.657 15.366 ( -3.102 0.000 -11.441) 11.854 15.956 ( 6.519 0.000 -10.537) 12.390 17.182 ( -9.964 0.000 -16.518) 19.291 17.714 ( -15.411 0.000 2.456) 15.606 18.462 ( -18.282 0.000 -7.634) 19.812 20.462 ( 1.238 0.000 7.990) 8.086 20.877 ( 12.634 0.000 5.953) 13.966 21.874 ( 9.584 0.000 -0.421) 9.593 22.642 ( -2.481 0.000 -9.874) 10.181 ======================= Grid point 282 (134/260) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 7.944 0.000 4.989) 9.381 2.386 ( 18.786 0.000 9.589) 21.091 3.004 ( -8.610 0.000 -12.546) 15.217 3.118 ( -1.655 0.000 -20.809) 20.874 3.350 ( 13.998 0.000 -9.244) 16.775 3.492 ( 6.229 0.000 0.195) 6.232 4.426 ( -2.596 0.000 8.258) 8.657 4.923 ( -8.279 0.000 1.636) 8.439 5.405 ( 19.065 0.000 17.194) 25.673 5.674 ( 5.835 0.000 10.764) 12.244 5.907 ( -0.933 0.000 8.345) 8.397 6.838 ( -5.555 0.000 5.980) 8.162 7.026 ( 4.999 0.000 -5.929) 7.755 7.411 ( -6.023 0.000 -7.131) 9.334 7.747 ( -9.769 0.000 1.687) 9.913 7.827 ( -16.612 0.000 2.147) 16.751 8.669 ( 16.184 0.000 -4.813) 16.885 8.980 ( 15.068 0.000 -10.639) 18.446 9.873 ( -3.589 0.000 3.317) 4.887 10.280 ( -11.889 0.000 -1.901) 12.040 12.317 ( -5.462 0.000 6.091) 8.181 12.638 ( -12.797 0.000 21.406) 24.939 13.275 ( 4.017 0.000 -0.170) 4.021 13.728 ( 9.053 0.000 -8.273) 12.263 14.117 ( -3.810 0.000 -4.329) 5.767 14.528 ( 2.900 0.000 9.681) 10.106 15.072 ( 3.196 0.000 -0.282) 3.209 15.294 ( -3.379 0.000 -19.975) 20.259 16.104 ( 7.341 0.000 -5.142) 8.963 16.978 ( -8.561 0.000 -11.564) 14.388 17.359 ( -18.320 0.000 1.167) 18.357 17.996 ( -25.222 0.000 -4.130) 25.558 20.517 ( 3.067 0.000 4.254) 5.244 21.147 ( 12.956 0.000 4.878) 13.844 22.037 ( 6.627 0.000 -3.552) 7.519 22.562 ( -5.188 0.000 -10.260) 11.497 ======================= Grid point 283 (135/260) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 12.239 0.000 -4.782) 13.141 2.604 ( -4.899 0.000 -7.962) 9.348 2.795 ( -3.302 0.000 -10.457) 10.966 3.095 ( -0.601 0.000 -17.263) 17.273 3.574 ( 12.906 0.000 -2.758) 13.197 3.818 ( 18.696 0.000 -0.061) 18.696 4.283 ( -11.643 0.000 3.632) 12.197 4.725 ( -10.721 0.000 0.326) 10.726 5.693 ( 8.633 0.000 11.531) 14.404 5.858 ( 12.082 0.000 13.733) 18.292 5.995 ( 7.146 0.000 10.643) 12.819 6.675 ( -9.648 0.000 10.536) 14.286 7.064 ( -3.400 0.000 -4.163) 5.375 7.332 ( 1.503 0.000 -8.107) 8.245 7.444 ( -17.824 0.000 6.305) 18.906 7.561 ( -8.064 0.000 -0.655) 8.091 9.051 ( 18.754 0.000 -6.898) 19.982 9.302 ( 16.729 0.000 -3.858) 17.168 9.787 ( -5.313 0.000 0.864) 5.383 9.994 ( -16.106 0.000 -1.888) 16.217 12.175 ( -8.293 0.000 6.823) 10.739 12.496 ( -1.272 0.000 24.837) 24.870 13.361 ( 4.417 0.000 -8.803) 9.849 13.855 ( 1.895 0.000 -8.849) 9.050 14.086 ( 1.921 0.000 -6.754) 7.022 14.574 ( 1.830 0.000 9.847) 10.016 15.096 ( -3.257 0.000 -10.562) 11.053 15.256 ( 1.515 0.000 -9.840) 9.956 16.229 ( 4.007 0.000 -0.182) 4.011 16.835 ( -7.402 0.000 -7.703) 10.683 17.036 ( -9.065 0.000 -1.214) 9.146 17.500 ( -21.145 0.000 -3.425) 21.421 20.565 ( 1.318 0.000 2.755) 3.054 21.392 ( 10.586 0.000 4.973) 11.696 22.157 ( 5.395 0.000 -5.963) 8.042 22.427 ( -7.689 0.000 -10.833) 13.285 ======================= Grid point 284 (136/260) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( -17.882 0.000 -12.043) 21.559 2.440 ( 13.300 0.000 -11.355) 17.488 2.746 ( -5.131 0.000 -15.240) 16.081 3.132 ( 3.703 0.000 -13.693) 14.185 3.881 ( 13.552 0.000 4.800) 14.377 3.978 ( -14.924 0.000 0.568) 14.935 4.159 ( 13.255 0.000 3.236) 13.644 4.479 ( -13.197 0.000 -3.249) 13.591 5.803 ( -0.254 0.000 10.804) 10.807 6.053 ( 5.179 0.000 12.400) 13.438 6.138 ( 4.827 0.000 10.989) 12.002 6.494 ( -5.115 0.000 11.293) 12.397 6.958 ( -3.722 0.000 -2.754) 4.630 7.136 ( -9.984 0.000 3.920) 10.726 7.370 ( -0.966 0.000 0.626) 1.151 7.569 ( 10.021 0.000 -4.960) 11.181 9.352 ( 7.832 0.000 -9.315) 12.170 9.570 ( -8.947 0.000 -0.214) 8.950 9.667 ( -9.170 0.000 -6.199) 11.069 9.719 ( 12.627 0.000 2.584) 12.889 12.042 ( -3.765 0.000 13.587) 14.099 12.513 ( 0.932 0.000 22.580) 22.599 13.462 ( 5.521 0.000 -12.411) 13.583 13.805 ( -4.973 0.000 -10.885) 11.967 14.187 ( 6.433 0.000 -9.213) 11.236 14.626 ( 3.653 0.000 7.979) 8.776 14.931 ( -11.373 0.000 -13.637) 17.757 15.324 ( 3.679 0.000 -1.170) 3.861 16.236 ( -3.464 0.000 2.440) 4.238 16.620 ( -10.468 0.000 -2.863) 10.852 17.071 ( 7.772 0.000 -8.728) 11.687 17.224 ( -2.525 0.000 -1.034) 2.729 20.568 ( -1.115 0.000 2.381) 2.629 21.572 ( 6.634 0.000 6.397) 9.216 22.229 ( -5.648 0.000 -10.706) 12.105 22.283 ( 1.528 0.000 -8.908) 9.038 ======================= Grid point 285 (137/260) ======================= q-point: (-0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( -18.526 0.000 -7.024) 19.813 2.598 ( -7.847 0.000 -9.198) 12.090 2.710 ( 11.733 0.000 -14.877) 18.947 3.200 ( 2.466 0.000 -18.022) 18.190 3.609 ( -15.587 0.000 -2.002) 15.715 4.112 ( -13.441 0.000 1.774) 13.557 4.214 ( 10.083 0.000 6.512) 12.003 4.396 ( 4.997 0.000 4.124) 6.479 5.688 ( -8.762 0.000 11.693) 14.612 5.852 ( -19.745 0.000 12.805) 23.534 6.318 ( 9.482 0.000 13.278) 16.315 6.540 ( 6.577 0.000 5.563) 8.614 6.938 ( 1.769 0.000 -4.607) 4.935 7.091 ( 4.593 0.000 0.825) 4.666 7.410 ( 5.788 0.000 1.406) 5.957 7.811 ( 11.576 0.000 -4.127) 12.289 9.086 ( -23.660 0.000 -5.705) 24.338 9.366 ( -11.412 0.000 -6.629) 13.198 9.693 ( 8.128 0.000 0.310) 8.134 10.080 ( 17.297 0.000 -3.783) 17.706 12.045 ( 4.068 0.000 20.478) 20.879 12.510 ( -1.586 0.000 18.206) 18.275 13.533 ( -0.880 0.000 -10.891) 10.926 13.721 ( -0.789 0.000 -6.123) 6.174 14.287 ( 2.071 0.000 -8.881) 9.119 14.602 ( -13.016 0.000 -5.188) 14.012 14.826 ( 9.799 0.000 -3.972) 10.574 15.390 ( 3.302 0.000 -1.441) 3.603 16.131 ( -5.137 0.000 0.423) 5.155 16.444 ( -6.561 0.000 -3.284) 7.337 17.245 ( 12.368 0.000 -7.107) 14.264 17.423 ( 16.134 0.000 0.323) 16.137 20.523 ( -3.257 0.000 2.563) 4.144 21.657 ( 1.283 0.000 8.277) 8.375 22.039 ( -9.729 0.000 -12.186) 15.593 22.379 ( 5.180 0.000 -9.314) 10.658 ======================= Grid point 286 (138/260) ======================= q-point: (-0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -13.702 0.000 3.653) 14.181 2.386 ( -13.300 0.000 3.754) 13.820 2.884 ( 3.081 0.000 -16.891) 17.169 3.225 ( 2.808 0.000 -17.815) 18.035 3.411 ( -4.064 0.000 -8.472) 9.396 3.785 ( -13.708 0.000 -2.455) 13.926 4.388 ( 2.640 0.000 16.247) 16.461 4.439 ( 0.203 0.000 8.021) 8.024 5.393 ( -21.598 0.000 14.383) 25.948 5.545 ( -5.739 0.000 9.651) 11.229 6.474 ( 5.977 0.000 15.149) 16.285 6.699 ( 8.264 0.000 1.442) 8.389 7.021 ( 5.235 0.000 -6.647) 8.461 7.243 ( 9.004 0.000 -4.623) 10.122 7.591 ( 10.676 0.000 -1.825) 10.831 7.969 ( 1.027 0.000 -3.219) 3.379 8.618 ( -18.354 0.000 -5.897) 19.278 9.099 ( -13.652 0.000 -9.572) 16.673 9.864 ( 8.055 0.000 5.933) 10.004 10.392 ( 12.975 0.000 -8.110) 15.301 12.226 ( 13.357 0.000 25.114) 28.445 12.466 ( -2.481 0.000 12.278) 12.526 13.433 ( -6.447 0.000 -9.463) 11.451 13.755 ( 1.713 0.000 3.042) 3.491 14.192 ( -11.888 0.000 -1.387) 11.968 14.397 ( -3.365 0.000 -4.079) 5.288 15.050 ( 7.220 0.000 -7.108) 10.132 15.507 ( 8.533 0.000 -10.531) 13.554 16.094 ( 3.848 0.000 -2.068) 4.368 16.351 ( -2.556 0.000 -4.752) 5.396 17.573 ( 18.085 0.000 -2.825) 18.304 17.773 ( 17.082 0.000 -0.256) 17.084 20.439 ( -4.755 0.000 3.569) 5.945 21.621 ( -4.821 0.000 8.068) 9.399 21.844 ( -9.184 0.000 -9.874) 13.485 22.479 ( 4.567 0.000 -9.914) 10.915 ======================= Grid point 287 (139/260) ======================= q-point: (-0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -2.152 0.000 17.635) 17.766 2.054 ( -18.139 0.000 13.935) 22.874 2.850 ( -4.532 0.000 -13.988) 14.704 3.214 ( -9.661 0.000 -8.729) 13.021 3.438 ( 11.353 0.000 -13.244) 17.443 3.684 ( 3.350 0.000 -7.034) 7.791 4.296 ( -9.241 0.000 18.808) 20.955 4.426 ( -3.779 0.000 15.389) 15.846 5.024 ( -12.611 0.000 12.992) 18.106 5.492 ( -0.164 0.000 5.377) 5.379 6.579 ( 3.692 0.000 17.492) 17.877 6.854 ( 5.636 0.000 -1.702) 5.888 7.070 ( -2.757 0.000 -3.421) 4.394 7.442 ( 10.783 0.000 -11.735) 15.937 7.774 ( -13.900 0.000 -5.580) 14.978 7.800 ( 8.368 0.000 -4.413) 9.460 8.468 ( 1.171 0.000 -5.334) 5.461 8.822 ( -12.802 0.000 -12.430) 17.844 10.019 ( 6.705 0.000 9.694) 11.787 10.605 ( 7.957 0.000 -9.167) 12.139 12.424 ( -0.177 0.000 5.187) 5.190 12.615 ( 22.757 0.000 24.376) 33.348 13.304 ( -5.958 0.000 -4.280) 7.336 13.715 ( -7.423 0.000 -0.001) 7.423 13.985 ( -4.681 0.000 9.038) 10.178 14.373 ( -0.040 0.000 -1.720) 1.721 15.087 ( -1.836 0.000 -1.144) 2.163 15.609 ( -0.119 0.000 -14.933) 14.934 16.319 ( -0.528 0.000 -2.536) 2.590 16.388 ( 22.792 0.000 -15.746) 27.702 17.913 ( 13.317 0.000 1.967) 13.461 18.115 ( 16.468 0.000 -4.068) 16.963 20.340 ( -4.507 0.000 6.175) 7.645 21.490 ( -7.079 0.000 5.053) 8.697 21.632 ( -12.176 0.000 -3.042) 12.551 22.561 ( 3.605 0.000 -9.934) 10.568 ======================= Grid point 288 (140/260) ======================= q-point: (-0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 9.856 0.000 25.049) 26.918 1.705 ( -14.716 0.000 20.039) 24.862 2.669 ( -12.550 0.000 1.772) 12.674 3.079 ( -1.820 0.000 -15.865) 15.969 3.716 ( 14.331 0.000 -12.318) 18.897 3.797 ( 5.322 0.000 -6.747) 8.593 4.069 ( -11.509 0.000 19.582) 22.714 4.310 ( -5.944 0.000 20.646) 21.484 4.922 ( 2.245 0.000 10.652) 10.886 5.507 ( 0.726 0.000 1.558) 1.719 6.595 ( -5.106 0.000 14.857) 15.710 6.728 ( -15.724 0.000 3.000) 16.008 7.044 ( 3.459 0.000 6.110) 7.021 7.596 ( -2.432 0.000 -8.621) 8.958 7.699 ( 13.057 0.000 -16.827) 21.299 7.939 ( 4.920 0.000 -8.748) 10.036 8.489 ( -2.690 0.000 -10.346) 10.689 8.610 ( -5.120 0.000 -9.728) 10.993 10.129 ( 3.413 0.000 10.835) 11.360 10.715 ( 2.867 0.000 -8.017) 8.514 12.461 ( 4.161 0.000 2.456) 4.832 13.122 ( 17.287 0.000 6.304) 18.401 13.188 ( -0.036 0.000 3.074) 3.074 13.511 ( -9.007 0.000 0.377) 9.015 13.991 ( 3.604 0.000 13.289) 13.769 14.386 ( 1.202 0.000 -0.614) 1.350 15.032 ( -2.514 0.000 2.493) 3.541 15.545 ( -4.814 0.000 -11.836) 12.778 16.263 ( -5.582 0.000 -5.144) 7.590 16.892 ( 23.263 0.000 -21.873) 31.931 18.088 ( 3.933 0.000 4.242) 5.785 18.428 ( 13.217 0.000 -7.884) 15.390 20.285 ( -0.230 0.000 10.114) 10.116 21.307 ( -16.369 0.000 -7.774) 18.121 21.395 ( -4.015 0.000 16.522) 17.003 22.623 ( 2.530 0.000 -9.700) 10.024 ======================= Grid point 289 (141/260) ======================= q-point: ( 0.00 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -0.200 13.981 21.764) 25.868 1.873 ( 9.182 10.799 21.669) 25.893 2.530 ( -6.128 9.415 8.450) 14.056 3.037 ( -0.489 -3.627 -15.254) 15.687 3.741 ( -3.735 0.297 -9.009) 9.757 3.919 ( -7.477 7.967 8.106) 13.604 4.149 ( 5.686 6.701 8.876) 12.490 4.295 ( 10.379 0.497 12.447) 16.214 5.067 ( 6.453 0.999 7.608) 10.026 5.599 ( -0.768 8.565 -0.685) 8.626 6.353 ( -7.167 1.047 8.775) 11.378 6.532 ( -7.731 -1.224 16.528) 18.288 7.027 ( 0.369 -7.245 5.983) 9.403 7.465 ( 1.117 -6.435 -10.553) 12.411 8.015 ( 10.821 1.350 -21.913) 24.476 8.245 ( 0.286 16.673 -8.703) 18.810 8.364 ( -3.792 4.582 -13.101) 14.388 8.676 ( -0.098 9.031 -3.454) 9.669 10.102 ( -1.936 -4.506 11.233) 12.257 10.730 ( -1.576 0.472 -7.124) 7.311 12.616 ( 6.227 1.354 5.921) 8.699 12.823 ( -4.767 -9.565 0.998) 10.734 13.339 ( -4.896 4.287 9.835) 11.793 13.773 ( 7.627 11.634 -7.987) 16.041 14.106 ( 5.311 -1.378 5.345) 7.659 14.384 ( 2.001 -1.369 -0.401) 2.458 14.912 ( -1.281 -8.791 0.160) 8.885 15.480 ( -3.621 2.523 -0.895) 4.503 16.132 ( -9.940 6.309 -8.653) 14.611 17.254 ( 11.578 -0.013 -22.744) 25.522 18.052 ( -2.933 -4.323 3.217) 6.135 18.567 ( 5.171 -6.919 -8.923) 12.418 20.355 ( 4.034 0.654 12.633) 13.277 20.929 ( -13.009 0.125 5.298) 14.047 21.442 ( 4.331 1.128 10.533) 11.444 22.634 ( 1.068 -2.735 -9.346) 9.796 ======================= Grid point 290 (142/260) ======================= q-point: ( 0.10 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 8.037 13.427 21.046) 26.226 1.974 ( 0.587 8.521 20.866) 22.546 2.582 ( 11.241 8.717 4.910) 15.049 3.025 ( -0.391 -5.415 -15.875) 16.778 3.600 ( -8.907 4.055 -6.891) 11.969 3.719 ( -9.102 6.022 -2.012) 11.097 4.307 ( 7.730 2.106 15.902) 17.806 4.614 ( 17.899 3.566 10.323) 20.968 5.131 ( -0.263 0.760 5.197) 5.259 5.582 ( -0.367 7.044 1.771) 7.273 6.289 ( -11.050 -2.194 10.516) 15.411 6.454 ( 10.888 2.140 6.653) 12.938 7.008 ( -2.095 -7.337 6.716) 10.165 7.476 ( -0.551 -4.902 -10.574) 11.668 8.038 ( -2.797 2.459 -8.205) 9.011 8.271 ( -2.101 8.381 -7.625) 11.524 8.473 ( 12.563 11.067 -16.769) 23.696 8.629 ( -3.367 8.016 -5.212) 10.137 10.030 ( -4.662 -3.553 9.862) 11.472 10.659 ( -5.061 1.509 -5.899) 7.918 12.609 ( -6.822 -4.062 8.571) 11.683 12.849 ( 6.432 2.356 0.588) 6.875 13.274 ( -0.968 1.626 9.339) 9.528 13.774 ( -6.183 11.917 -4.868) 14.281 14.205 ( 2.229 -4.199 -0.227) 4.759 14.390 ( -0.200 1.194 2.899) 3.142 14.917 ( 1.183 -8.301 -2.992) 8.903 15.433 ( -1.579 1.269 7.228) 7.507 15.945 ( -5.219 5.331 -15.847) 17.515 17.337 ( -2.929 0.380 -20.692) 20.902 17.924 ( -9.507 -4.593 2.689) 10.896 18.606 ( -2.566 -8.297 -9.861) 13.141 20.413 ( -0.261 -4.354 13.418) 14.109 20.776 ( 1.097 6.933 6.500) 9.566 21.629 ( 11.702 -1.267 5.634) 13.049 22.641 ( -0.395 -3.092 -9.441) 9.942 ======================= Grid point 291 (143/260) ======================= q-point: ( 0.20 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 2.074 5.360 18.117) 19.006 2.119 ( 15.146 10.614 15.832) 24.345 2.875 ( 13.064 1.273 -5.882) 14.383 3.031 ( 2.839 -5.261 -12.106) 13.501 3.408 ( -8.355 6.079 -9.852) 14.277 3.568 ( -5.728 4.770 -6.473) 9.872 4.433 ( 3.673 2.327 11.806) 12.581 4.966 ( 11.178 -0.356 11.886) 16.321 5.125 ( 4.589 5.503 5.273) 8.896 5.611 ( 3.602 4.514 8.013) 9.877 6.027 ( -12.023 -1.792 6.852) 13.954 6.746 ( 11.784 -1.888 -3.668) 12.485 6.962 ( -0.968 -4.192 7.792) 8.901 7.425 ( -4.120 -6.481 -7.650) 10.840 8.003 ( -2.738 6.817 -0.698) 7.380 8.171 ( -7.647 8.941 -2.867) 12.110 8.481 ( -2.785 1.633 -3.203) 4.547 8.817 ( 15.500 12.114 -16.850) 25.902 9.935 ( -4.472 -1.823 7.047) 8.543 10.529 ( -7.367 3.493 -4.175) 9.159 12.468 ( -5.973 1.754 8.234) 10.323 12.894 ( -4.666 2.701 9.163) 10.632 13.307 ( 3.365 4.350 8.352) 10.000 13.646 ( -1.990 9.508 -6.597) 11.742 14.172 ( -4.525 -3.585 -2.463) 6.276 14.423 ( 3.017 -2.381 8.643) 9.459 14.959 ( 2.931 -5.468 -0.671) 6.240 15.383 ( -3.238 1.324 -9.020) 9.674 15.948 ( 4.517 -0.629 -11.144) 12.041 17.178 ( -10.474 -0.419 -16.003) 19.130 17.670 ( -15.031 -4.412 1.757) 15.763 18.412 ( -16.119 -4.933 -8.504) 18.880 20.406 ( 1.094 -5.211 10.282) 11.579 20.929 ( 10.933 4.991 6.046) 13.454 21.859 ( 9.866 -1.171 -0.089) 9.935 22.611 ( -2.416 -3.144 -9.784) 10.557 ======================= Grid point 292 (144/260) ======================= q-point: ( 0.30 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 6.965 2.301 8.076) 10.910 2.473 ( 16.842 6.691 10.228) 20.809 2.897 ( -6.963 -6.357 -14.727) 17.487 3.187 ( 2.883 2.808 -14.626) 15.170 3.365 ( 6.947 1.168 -10.014) 12.244 3.513 ( 3.802 2.603 -2.009) 5.027 4.441 ( -3.421 1.150 5.852) 6.876 4.926 ( -7.715 0.306 1.364) 7.841 5.442 ( 17.640 3.125 15.732) 23.842 5.714 ( 4.916 3.269 10.814) 12.321 5.881 ( -0.068 -0.652 6.590) 6.623 6.778 ( -5.149 -5.889 5.178) 9.381 7.064 ( 6.951 3.195 -5.313) 9.315 7.322 ( -4.997 -6.529 -3.241) 8.838 7.820 ( -15.018 4.909 2.025) 15.930 7.940 ( -13.052 11.196 -0.356) 17.200 8.620 ( 15.110 -2.600 -1.071) 15.370 9.129 ( 14.903 12.392 -12.202) 22.903 9.848 ( -4.341 -1.571 3.822) 5.993 10.354 ( -9.797 6.472 -3.117) 12.148 12.375 ( -3.726 5.605 6.114) 9.093 12.701 ( -10.905 6.451 19.362) 23.139 13.374 ( 2.619 9.351 0.887) 9.751 13.727 ( 7.437 0.112 -7.013) 10.223 14.070 ( -4.236 -4.320 -4.146) 7.335 14.488 ( 2.680 -4.169 9.850) 11.027 15.026 ( 3.175 -4.749 0.717) 5.758 15.311 ( -3.323 1.612 -19.582) 19.927 16.071 ( 6.653 -3.208 -4.979) 8.908 16.967 ( -8.762 -1.173 -11.433) 14.452 17.328 ( -17.474 -3.183 0.089) 17.762 17.990 ( -23.183 -0.462 -5.991) 23.949 20.457 ( 3.028 -5.758 6.561) 9.240 21.166 ( 11.369 1.825 5.540) 12.778 22.026 ( 6.594 -0.945 -3.790) 7.664 22.536 ( -4.776 -2.667 -10.281) 11.645 ======================= Grid point 293 (145/260) ======================= q-point: ( 0.40 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 11.057 -0.130 -1.987) 11.235 2.611 ( -10.615 -0.717 -9.481) 14.250 2.816 ( 5.760 3.511 -5.448) 8.671 3.160 ( -2.264 4.861 -17.663) 18.460 3.523 ( 10.249 -4.634 -4.080) 11.965 3.771 ( 15.038 -4.840 1.892) 15.910 4.293 ( -9.974 0.573 0.136) 9.991 4.733 ( -10.724 0.374 -1.411) 10.823 5.709 ( 7.814 0.528 11.499) 13.913 5.862 ( 10.373 1.247 13.304) 16.916 6.003 ( 8.910 1.934 9.755) 13.352 6.636 ( -8.410 -3.367 9.366) 13.031 7.080 ( -5.748 0.346 -2.649) 6.339 7.296 ( -0.685 -0.200 -0.775) 1.054 7.505 ( -9.042 5.299 0.430) 10.489 7.688 ( -10.845 10.083 -1.679) 14.903 8.990 ( 18.965 -3.642 -1.481) 19.368 9.408 ( 11.085 6.862 -4.771) 13.883 9.754 ( -4.005 0.610 0.024) 4.051 10.122 ( -12.606 10.250 -4.204) 16.783 12.272 ( -6.668 9.168 6.671) 13.154 12.570 ( -1.633 7.567 23.452) 24.697 13.416 ( 1.925 5.622 -7.238) 9.365 13.834 ( 0.806 -2.670 -6.415) 6.995 14.052 ( 3.995 -2.801 -6.419) 8.063 14.531 ( 1.628 -4.259 10.338) 11.299 15.055 ( -1.783 -4.374 -6.151) 7.756 15.257 ( -0.952 -0.002 -12.613) 12.649 16.187 ( 3.956 -3.793 -0.538) 5.507 16.825 ( -6.892 -1.065 -8.292) 10.835 17.029 ( -7.808 -0.771 -2.978) 8.392 17.528 ( -20.022 2.808 -5.168) 20.868 20.510 ( 1.786 -5.358 4.634) 7.305 21.378 ( 8.838 -1.569 6.086) 10.844 22.139 ( 4.626 -1.622 -6.602) 8.223 22.417 ( -6.355 -1.097 -10.759) 12.544 ======================= Grid point 294 (146/260) ======================= q-point: (-0.50 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -13.801 -1.463 -10.395) 17.340 2.431 ( 9.005 -0.727 -8.677) 12.526 2.836 ( -4.130 7.958 -14.628) 17.157 3.177 ( 4.022 3.591 -13.174) 14.234 3.741 ( 3.627 -11.481 2.246) 12.249 3.897 ( -1.344 -8.192 6.512) 10.551 4.223 ( 6.686 4.481 -2.869) 8.544 4.494 ( -11.395 0.424 -4.815) 12.378 5.821 ( 1.465 1.550 11.424) 11.621 6.039 ( 5.175 0.036 11.142) 12.285 6.161 ( 3.991 0.885 10.823) 11.570 6.466 ( -5.905 -1.227 10.963) 12.512 6.964 ( -3.231 0.806 -1.866) 3.817 7.116 ( -8.337 0.018 5.606) 10.046 7.492 ( -3.749 9.471 -0.742) 10.213 7.650 ( 11.372 7.399 -5.602) 14.678 9.308 ( 4.116 -3.041 -3.803) 6.376 9.445 ( -1.160 -7.083 3.763) 8.104 9.816 ( 0.968 11.121 -7.119) 13.240 9.873 ( -1.606 12.398 -4.704) 13.357 12.157 ( -3.601 11.164 13.525) 17.904 12.578 ( 0.471 6.527 21.607) 22.577 13.469 ( 3.475 0.680 -10.291) 10.883 13.782 ( -4.151 -2.265 -9.409) 10.530 14.182 ( 6.677 -0.481 -7.300) 9.905 14.578 ( 3.510 -4.787 8.651) 10.492 14.921 ( -10.353 -1.365 -11.956) 15.875 15.271 ( 1.637 -5.297 -0.607) 5.578 16.212 ( -1.482 -1.686 -0.131) 2.248 16.638 ( -9.010 1.564 -4.538) 10.209 17.067 ( 7.267 -0.410 -9.527) 11.989 17.259 ( -2.800 3.534 -2.396) 5.105 20.527 ( -0.302 -4.043 3.869) 5.604 21.518 ( 4.469 -5.430 7.544) 10.313 22.185 ( -2.372 -2.845 -10.569) 11.200 22.317 ( -0.383 1.927 -9.407) 9.610 ======================= Grid point 295 (147/260) ======================= q-point: (-0.40 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -16.775 2.134 -4.824) 17.585 2.607 ( 1.173 -1.266 -9.795) 9.946 2.754 ( 1.662 6.343 -11.035) 12.836 3.255 ( 2.129 4.165 -18.115) 18.709 3.529 ( -12.078 -7.283 -1.055) 14.143 3.966 ( -5.848 -11.255 5.705) 13.908 4.258 ( 2.479 2.040 1.453) 3.524 4.458 ( 5.279 4.314 0.724) 6.856 5.747 ( -7.460 5.738 11.405) 14.787 5.895 ( -17.590 4.209 11.513) 21.440 6.246 ( 5.372 -6.918 11.583) 14.522 6.495 ( 6.172 -2.851 6.983) 9.745 6.959 ( 2.043 2.326 -4.812) 5.722 7.099 ( 6.027 0.563 4.078) 7.299 7.484 ( 3.706 6.234 -0.255) 7.257 7.910 ( 12.354 9.388 -4.601) 16.185 9.020 ( -20.881 -4.408 -0.441) 21.346 9.495 ( -9.339 9.072 -8.673) 15.644 9.711 ( 6.187 3.511 0.495) 7.132 10.134 ( 14.487 5.329 -5.797) 16.489 12.151 ( 3.063 10.445 20.364) 23.090 12.568 ( -1.714 5.885 17.693) 18.724 13.512 ( -1.014 -2.507 -9.670) 10.041 13.716 ( -0.565 0.142 -4.993) 5.026 14.269 ( 1.161 -1.910 -5.840) 6.254 14.593 ( -10.253 -1.211 -4.097) 11.107 14.795 ( 7.831 -2.895 -4.155) 9.326 15.311 ( 2.592 -7.694 0.859) 8.164 16.158 ( -2.576 2.870 -3.354) 5.110 16.471 ( -7.133 2.411 -5.201) 9.151 17.234 ( 11.750 -0.954 -6.798) 13.609 17.445 ( 15.772 2.030 -1.691) 15.992 20.500 ( -2.284 -2.196 3.791) 4.941 21.553 ( -1.301 -9.513 8.307) 12.696 22.067 ( -6.679 2.114 -11.019) 13.057 22.380 ( 4.521 0.069 -9.451) 10.477 ======================= Grid point 296 (148/260) ======================= q-point: (-0.30 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -11.495 6.114 6.041) 14.353 2.450 ( -12.636 4.965 4.898) 14.433 2.856 ( 2.345 -1.913 -14.323) 14.639 3.223 ( -0.030 -1.289 -14.573) 14.630 3.452 ( 1.325 4.635 -12.242) 13.157 3.716 ( -12.038 -6.341 0.066) 13.606 4.372 ( 3.623 -1.175 12.636) 13.198 4.518 ( 0.282 6.315 5.521) 8.393 5.449 ( -21.133 6.545 11.764) 25.057 5.632 ( -5.492 7.316 10.630) 14.024 6.361 ( 5.833 -10.036 11.421) 16.285 6.645 ( 7.884 -4.578 3.742) 9.855 7.031 ( 4.272 0.395 -7.750) 8.858 7.253 ( 6.978 0.790 -0.373) 7.032 7.631 ( 9.092 3.674 -2.471) 10.112 8.105 ( 4.784 12.783 -3.694) 14.139 8.592 ( -17.128 -1.808 -1.834) 17.320 9.226 ( -14.450 11.625 -11.821) 21.993 9.875 ( 7.607 1.106 6.082) 9.802 10.408 ( 11.874 1.643 -8.467) 14.676 12.295 ( 10.493 6.875 24.610) 27.622 12.527 ( -1.874 6.271 12.607) 14.204 13.427 ( -5.473 -1.100 -9.140) 10.709 13.742 ( 1.193 -0.402 4.310) 4.490 14.205 ( -7.725 0.219 -2.398) 8.091 14.380 ( -6.203 -1.204 -2.017) 6.633 15.009 ( 7.347 -3.835 -7.455) 11.147 15.420 ( 9.044 -8.275 -5.323) 13.364 16.144 ( 2.057 4.120 -5.234) 6.971 16.371 ( -1.542 2.353 -7.381) 7.899 17.545 ( 17.109 -2.457 -2.370) 17.446 17.791 ( 17.036 1.537 -2.560) 17.296 20.437 ( -3.811 -0.202 4.617) 5.990 21.474 ( -6.032 -11.590 7.274) 14.954 21.926 ( -7.294 5.334 -7.646) 11.837 22.471 ( 4.242 -0.801 -9.963) 10.858 ======================= Grid point 297 (149/260) ======================= q-point: (-0.20 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -0.562 10.211 18.756) 21.363 2.141 ( -16.278 6.844 14.642) 22.939 2.833 ( -2.862 -1.629 -13.648) 14.040 3.217 ( -7.424 0.341 -7.197) 10.345 3.465 ( 7.341 2.609 -9.898) 12.597 3.675 ( 6.065 0.413 -7.857) 9.934 4.351 ( -5.252 2.280 19.207) 20.042 4.472 ( -5.520 6.833 8.480) 12.209 5.073 ( -13.446 5.452 11.839) 18.726 5.581 ( -0.175 7.892 5.435) 9.584 6.482 ( 5.182 -8.940 14.585) 17.875 6.796 ( 5.698 -5.473 0.831) 7.944 7.064 ( -3.539 -0.826 -5.467) 6.565 7.374 ( 5.589 -4.096 -5.751) 9.005 7.716 ( -2.857 -0.566 -6.789) 7.387 8.097 ( 1.780 20.087 -6.511) 21.191 8.485 ( 3.598 2.283 -2.338) 4.861 8.920 ( -14.779 9.672 -13.429) 22.188 10.012 ( 5.476 -0.646 9.763) 11.212 10.609 ( 7.702 0.202 -9.232) 12.024 12.460 ( 1.197 3.054 8.139) 8.775 12.630 ( 14.842 2.516 22.368) 26.962 13.332 ( -2.598 2.614 -5.331) 6.481 13.707 ( -5.300 0.034 4.457) 6.925 14.062 ( -3.651 6.375 4.345) 8.535 14.316 ( -1.218 -5.552 -0.243) 5.689 15.047 ( -1.980 -3.673 -2.055) 4.651 15.580 ( 3.444 -2.774 -13.488) 14.195 16.232 ( 4.044 -6.010 -4.383) 8.466 16.485 ( 15.279 7.021 -14.282) 22.061 17.868 ( 12.832 -4.151 1.566) 13.578 18.126 ( 15.560 0.745 -5.583) 16.548 20.355 ( -3.803 1.557 6.987) 8.107 21.330 ( -7.676 -11.109 6.806) 15.122 21.745 ( -10.627 6.690 -3.084) 12.931 22.547 ( 3.284 -1.473 -9.894) 10.528 ======================= Grid point 298 (150/260) ======================= q-point: (-0.10 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 8.353 11.420 24.262) 28.086 1.852 ( -10.391 11.358 19.118) 24.546 2.715 ( -9.053 3.950 -1.003) 9.928 3.070 ( -3.738 -0.605 -11.192) 11.815 3.682 ( 9.772 -0.762 -10.128) 14.095 3.839 ( 9.270 4.098 -0.568) 10.151 4.208 ( -7.587 10.202 13.959) 18.881 4.303 ( -8.917 1.673 14.313) 16.946 4.956 ( 1.475 3.351 10.465) 11.088 5.597 ( 0.932 8.254 1.035) 8.371 6.534 ( -2.444 -6.023 15.224) 16.554 6.718 ( -13.971 -0.570 2.653) 14.232 6.993 ( 1.824 -5.256 5.884) 8.098 7.450 ( 1.061 -6.223 -5.889) 8.633 7.759 ( 10.217 -0.967 -21.923) 24.206 8.196 ( 4.932 22.326 -7.226) 23.979 8.526 ( -5.136 3.553 -11.129) 12.762 8.675 ( -4.278 7.448 -6.681) 10.881 10.096 ( 2.294 -3.170 11.325) 11.982 10.718 ( 3.020 0.020 -8.225) 8.762 12.501 ( 3.823 3.522 4.060) 6.596 12.869 ( 3.559 -12.085 11.077) 16.776 13.379 ( 5.216 8.586 2.767) 10.420 13.600 ( -0.119 6.598 -0.818) 6.650 14.045 ( 0.888 4.925 8.943) 10.248 14.326 ( 2.312 -5.601 0.519) 6.081 14.976 ( -4.153 -5.155 0.637) 6.651 15.563 ( -3.473 1.631 -11.836) 12.442 16.259 ( -1.809 -0.532 -4.485) 4.865 16.901 ( 21.538 1.034 -20.890) 30.022 18.041 ( 4.130 -4.680 3.657) 7.234 18.406 ( 11.047 -2.243 -8.673) 14.223 20.309 ( -0.263 2.400 10.536) 10.809 21.167 ( -8.978 -8.739 5.801) 13.806 21.510 ( -10.268 6.670 4.761) 13.138 22.602 ( 2.223 -2.158 -9.555) 10.045 ======================= Grid point 299 (151/260) ======================= q-point: ( 0.00 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 1.017 10.476 19.591) 22.240 2.104 ( 6.525 11.157 15.492) 20.176 2.745 ( -1.520 10.440 1.721) 10.690 2.991 ( -3.222 1.221 -3.127) 4.653 3.803 ( -1.579 5.388 -7.642) 9.483 4.113 ( -6.603 8.731 11.838) 16.124 4.232 ( 4.033 6.094 18.719) 20.095 4.428 ( 8.724 11.757 -6.364) 15.963 5.101 ( 3.662 2.726 7.713) 8.962 5.782 ( -1.204 8.597 -2.381) 9.002 6.339 ( -3.178 -3.166 8.643) 9.738 6.549 ( -7.300 3.847 12.775) 15.208 6.830 ( -0.672 -12.502 5.125) 13.529 7.347 ( 1.305 -5.816 -10.039) 11.675 8.038 ( 15.939 0.989 -20.546) 26.022 8.254 ( -11.604 -3.715 -12.442) 17.414 8.774 ( 1.532 20.512 -5.969) 21.418 8.966 ( 0.561 23.238 -3.085) 23.448 9.984 ( -2.372 -7.291 12.829) 14.946 10.721 ( -0.675 -1.968 -7.576) 7.857 12.566 ( 0.520 -3.921 12.864) 13.458 12.799 ( 3.447 5.454 0.266) 6.457 13.456 ( -5.794 6.960 10.503) 13.868 13.843 ( 3.331 -5.958 8.146) 10.628 14.138 ( 7.578 5.379 -11.196) 14.550 14.363 ( 3.889 -0.684 -0.439) 3.973 14.731 ( -3.356 -8.896 -4.619) 10.571 15.503 ( -5.247 -0.074 -4.383) 6.837 16.310 ( -4.429 11.444 -7.163) 14.209 17.255 ( 12.111 0.075 -21.045) 24.281 17.927 ( -2.240 -8.439 1.476) 8.855 18.383 ( -0.537 -11.229 -8.367) 14.014 20.373 ( -0.741 1.174 13.344) 13.416 20.953 ( -2.584 2.480 10.390) 10.990 21.491 ( -0.349 4.138 7.520) 8.591 22.553 ( 0.355 -5.637 -8.887) 10.530 ======================= Grid point 300 (152/260) ======================= q-point: ( 0.10 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 5.491 10.114 18.279) 21.600 2.175 ( 0.780 10.795 16.587) 19.806 2.767 ( 3.699 7.408 0.236) 8.284 2.953 ( -0.004 1.034 -5.715) 5.807 3.699 ( -7.437 5.309 -3.797) 9.895 3.889 ( -11.229 10.933 -3.724) 16.109 4.370 ( 7.846 4.730 15.908) 18.358 4.731 ( 15.911 8.195 6.043) 18.890 5.155 ( 1.872 1.825 4.687) 5.367 5.721 ( -3.943 5.214 0.463) 6.553 6.258 ( -8.980 -0.019 7.496) 11.697 6.507 ( 6.883 2.881 4.646) 8.789 6.820 ( 0.184 -11.036 6.292) 12.705 7.370 ( -1.290 -5.818 -9.785) 11.457 8.019 ( -2.389 -3.501 -7.185) 8.342 8.393 ( 9.220 4.873 -13.169) 16.798 8.749 ( -4.522 12.607 -0.211) 13.395 8.953 ( 1.064 25.265 -10.670) 27.446 9.939 ( -2.075 -5.587 10.505) 12.078 10.678 ( -3.100 -0.070 -6.221) 6.951 12.559 ( -1.158 -0.186 10.128) 10.196 12.914 ( 6.495 4.212 1.538) 7.892 13.353 ( -3.578 5.774 10.368) 12.395 13.854 ( -1.054 -5.162 5.260) 7.445 14.247 ( 0.843 7.636 -12.141) 14.367 14.375 ( -1.361 -2.208 4.080) 4.835 14.757 ( 4.021 -6.680 -9.903) 12.604 15.420 ( -2.257 -2.399 6.157) 6.983 16.112 ( -11.528 11.603 -13.238) 21.042 17.343 ( -3.557 -0.009 -19.138) 19.466 17.797 ( -10.085 -8.138 1.225) 13.016 18.384 ( -0.174 -13.591 -8.979) 16.290 20.329 ( -3.323 -3.814 15.335) 16.148 20.944 ( 2.648 9.800 8.347) 13.143 21.620 ( 10.592 0.792 5.436) 11.932 22.549 ( -0.677 -6.343 -9.078) 11.095 ======================= Grid point 301 (153/260) ======================= q-point: ( 0.20 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( -1.159 11.658 17.733) 21.254 2.292 ( 11.149 6.184 15.834) 20.329 2.831 ( 1.278 -4.270 -10.995) 11.864 3.030 ( 7.822 3.839 -3.436) 9.366 3.518 ( -9.324 4.738 -2.347) 10.719 3.703 ( -6.857 8.818 -11.900) 16.321 4.490 ( 2.288 3.088 7.111) 8.083 4.980 ( 4.986 1.331 8.536) 9.975 5.239 ( 8.455 5.530 5.522) 11.514 5.680 ( 1.430 1.794 7.375) 7.724 6.047 ( -9.121 4.790 3.356) 10.836 6.662 ( 2.668 -6.707 -0.141) 7.220 6.894 ( 9.172 -1.921 4.751) 10.507 7.287 ( -5.018 -7.377 -7.351) 11.560 8.075 ( 3.452 1.115 1.918) 4.103 8.395 ( -6.605 11.324 -5.031) 14.042 8.567 ( -9.789 7.040 3.208) 12.477 9.123 ( 13.316 18.467 -15.681) 27.645 9.898 ( -2.217 -1.641 6.219) 6.804 10.600 ( -4.428 3.055 -4.904) 7.280 12.533 ( -1.312 4.942 6.743) 8.463 12.983 ( -1.651 6.012 9.429) 11.303 13.363 ( 5.395 1.654 7.396) 9.303 13.822 ( -1.493 2.948 -4.480) 5.567 14.185 ( -7.488 8.666 -4.580) 12.335 14.336 ( -0.599 -6.167 8.261) 10.327 14.830 ( 3.210 -7.191 -1.728) 8.062 15.401 ( -0.922 0.220 -3.680) 3.800 15.951 ( -2.424 1.585 -13.133) 13.448 17.160 ( -11.769 -1.647 -14.343) 18.627 17.546 ( -14.045 -8.155 0.286) 16.243 18.288 ( -10.057 -7.084 -11.216) 16.647 20.287 ( -0.354 -6.357 14.641) 15.966 21.056 ( 7.273 7.726 7.793) 13.165 21.844 ( 10.008 -0.019 -0.432) 10.018 22.519 ( -2.099 -6.252 -9.671) 11.706 ======================= Grid point 302 (154/260) ======================= q-point: ( 0.30 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 3.201 8.460 12.179) 15.171 2.550 ( 11.666 0.087 11.720) 16.537 2.817 ( -1.893 -1.866 -12.877) 13.148 3.212 ( 7.487 0.223 -9.162) 11.834 3.371 ( -3.085 -0.375 -3.804) 4.912 3.599 ( -2.276 5.851 -9.990) 11.799 4.445 ( -6.362 -1.283 -1.327) 6.624 4.920 ( -8.248 -1.954 -1.910) 8.689 5.486 ( 12.561 1.219 15.396) 19.908 5.785 ( 7.141 5.400 10.251) 13.610 5.955 ( 1.277 7.116 4.115) 8.319 6.641 ( -2.559 -6.962 3.904) 8.382 7.105 ( 5.847 -0.670 -2.765) 6.502 7.219 ( 1.737 -2.619 -1.981) 3.715 7.920 ( -16.853 5.170 5.819) 18.564 8.184 ( -13.459 11.893 -3.709) 18.339 8.611 ( 13.372 1.857 4.443) 14.213 9.384 ( 10.594 12.343 -8.710) 18.451 9.853 ( -1.599 2.927 0.156) 3.339 10.491 ( -6.242 6.842 -4.983) 10.517 12.513 ( -0.813 7.942 4.697) 9.263 12.881 ( -6.425 11.641 16.252) 20.998 13.526 ( 8.010 1.128 4.245) 9.135 13.794 ( -2.396 9.031 -7.251) 11.827 13.993 ( -7.019 -1.354 -0.700) 7.183 14.372 ( 2.716 -7.223 9.608) 12.323 14.890 ( 2.484 -8.981 2.746) 9.715 15.349 ( -3.926 1.954 -16.159) 16.743 15.995 ( 5.331 -4.056 -6.371) 9.244 16.932 ( -8.961 -2.285 -11.107) 14.453 17.239 ( -14.948 -5.751 -2.538) 16.216 17.986 ( -17.986 0.152 -10.743) 20.951 20.316 ( 2.532 -7.981 11.696) 14.385 21.211 ( 7.012 2.592 8.133) 11.047 22.010 ( 6.265 -0.394 -4.887) 7.955 22.459 ( -3.474 -5.054 -10.386) 12.062 ======================= Grid point 303 (155/260) ======================= q-point: ( 0.40 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 7.759 3.923 3.365) 9.323 2.579 ( -8.897 -1.815 -5.637) 10.688 2.899 ( 9.527 2.792 0.085) 9.928 3.229 ( -3.229 1.804 -13.406) 13.907 3.424 ( 5.529 -5.231 -8.828) 11.656 3.651 ( 5.724 -5.653 2.304) 8.368 4.282 ( -6.941 -2.130 -8.298) 11.026 4.702 ( -12.357 -4.754 -5.807) 14.458 5.705 ( 8.897 0.739 13.829) 16.460 5.942 ( 7.710 5.974 11.866) 15.360 6.071 ( 7.368 4.295 7.706) 11.494 6.582 ( -3.659 -1.293 7.946) 8.843 7.066 ( -4.302 -1.012 0.496) 4.448 7.343 ( -0.890 3.647 1.216) 3.946 7.620 ( -3.746 5.828 -0.022) 6.928 7.894 ( -13.650 10.323 -4.106) 17.600 8.951 ( 17.822 -0.349 4.996) 18.512 9.473 ( -3.101 0.569 4.903) 5.829 9.892 ( 6.443 12.205 -10.135) 17.123 10.336 ( -8.770 10.993 -7.210) 15.804 12.487 ( -2.074 11.727 6.665) 13.647 12.783 ( -2.782 13.853 18.982) 23.664 13.576 ( -4.520 9.939 -2.176) 11.133 13.733 ( -0.107 -6.978 -2.258) 7.335 14.010 ( 6.727 -1.224 -3.673) 7.761 14.418 ( 1.333 -6.970 11.090) 13.166 14.921 ( 0.033 -9.317 -0.142) 9.318 15.243 ( -5.954 -1.755 -11.923) 13.442 16.113 ( 5.527 -2.914 -4.342) 7.609 16.796 ( -5.605 -1.783 -9.666) 11.315 17.006 ( -4.882 -1.516 -7.036) 8.697 17.604 ( -17.477 4.743 -9.583) 20.488 20.376 ( 2.756 -7.833 9.165) 12.367 21.329 ( 4.051 -3.399 9.328) 10.723 22.106 ( 3.324 -1.427 -8.243) 9.001 22.383 ( -3.423 -2.344 -10.623) 11.404 ======================= Grid point 304 (156/260) ======================= q-point: (-0.50 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( -8.728 1.858 -6.070) 10.793 2.432 ( 4.472 1.123 -3.157) 5.588 3.000 ( -2.225 7.491 -9.996) 12.688 3.213 ( 4.580 -1.684 -6.409) 8.055 3.502 ( -2.518 -11.368 -3.996) 12.310 3.710 ( 2.227 -9.115 4.714) 10.501 4.276 ( 5.827 0.305 -10.285) 11.825 4.445 ( -10.413 -6.260 -8.040) 14.569 5.859 ( 4.649 2.643 14.044) 15.028 6.061 ( 3.240 1.356 10.395) 10.972 6.184 ( 1.388 2.983 8.450) 9.068 6.486 ( -4.574 2.820 11.050) 12.287 7.008 ( -0.209 3.815 -0.404) 3.842 7.147 ( -9.782 2.542 6.770) 12.165 7.666 ( -7.514 7.414 -3.122) 11.008 7.817 ( 15.049 8.903 -6.651) 18.707 9.260 ( -2.459 -2.056 3.361) 4.644 9.341 ( 5.300 -3.105 9.414) 11.240 10.058 ( 6.128 12.948 -12.395) 18.943 10.143 ( -7.232 14.545 -9.153) 18.645 12.439 ( -2.143 16.517 13.603) 21.505 12.758 ( -0.869 11.571 18.491) 21.830 13.478 ( -3.312 -0.436 -4.726) 5.787 13.740 ( 0.255 -0.802 -6.224) 6.281 14.162 ( 6.006 -1.767 -1.781) 6.509 14.451 ( 3.031 -7.761 10.198) 13.169 14.858 ( -6.852 -5.585 -6.175) 10.782 15.134 ( -3.206 -7.972 -0.255) 8.596 16.202 ( 3.046 1.111 -6.850) 7.578 16.668 ( -6.153 1.331 -8.342) 10.451 17.055 ( 6.635 -0.810 -11.741) 13.511 17.352 ( -3.753 5.708 -6.179) 9.211 20.424 ( 1.690 -6.025 7.610) 9.852 21.371 ( -0.164 -9.144 10.484) 13.913 22.139 ( -0.270 -1.836 -10.942) 11.098 22.341 ( 0.125 0.487 -9.700) 9.713 ======================= Grid point 305 (157/260) ======================= q-point: (-0.40 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( -12.495 6.967 -0.225) 14.308 2.569 ( 4.335 -1.830 -5.968) 7.600 2.903 ( -5.027 6.309 -3.043) 8.622 3.270 ( -5.631 -4.095 -12.320) 14.151 3.403 ( 3.514 -3.898 -5.277) 7.443 3.747 ( -3.234 -9.240 3.116) 10.274 4.260 ( -0.099 -2.527 -4.642) 5.286 4.501 ( 8.626 -0.686 -5.759) 10.395 5.858 ( -3.956 3.873 14.137) 15.183 6.025 ( -14.901 8.556 7.541) 18.765 6.113 ( 1.248 -3.908 9.421) 10.276 6.475 ( 2.658 1.172 7.780) 8.305 7.012 ( -1.223 1.970 -0.646) 2.407 7.118 ( 7.633 2.000 4.008) 8.851 7.603 ( 1.570 5.232 -1.768) 5.742 8.132 ( 14.839 12.082 -5.852) 20.010 8.952 ( -18.767 -2.536 6.673) 20.079 9.582 ( 7.647 0.718 3.102) 8.283 9.907 ( -8.204 14.678 -11.315) 20.268 10.272 ( 9.265 8.359 -9.434) 15.644 12.425 ( 0.819 16.686 19.941) 26.015 12.733 ( -1.804 10.747 16.780) 20.008 13.428 ( -2.332 -5.811 -7.102) 9.468 13.750 ( 1.067 3.469 -2.062) 4.175 14.205 ( -1.322 -4.733 0.605) 4.951 14.536 ( -1.487 -5.111 -0.199) 5.327 14.728 ( 2.110 -3.629 -3.111) 5.225 15.121 ( 1.364 -10.770 2.967) 11.254 16.242 ( 1.259 5.486 -10.310) 11.747 16.523 ( -7.550 2.648 -9.801) 12.653 17.213 ( 10.689 -1.081 -7.197) 12.932 17.496 ( 14.308 3.123 -6.059) 15.849 20.445 ( 0.196 -3.216 6.990) 7.697 21.329 ( -3.858 -12.605 10.619) 16.928 22.098 ( -3.130 0.853 -10.253) 10.754 22.380 ( 3.216 -0.095 -9.723) 10.242 ======================= Grid point 306 (158/260) ======================= q-point: (-0.30 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -6.445 12.588 9.488) 17.030 2.506 ( -10.554 -0.157 8.131) 13.324 2.820 ( -2.672 -2.448 -7.924) 8.713 3.222 ( 3.509 2.857 -12.717) 13.498 3.525 ( 3.085 -2.577 -7.169) 8.219 3.603 ( -4.334 -0.110 -3.991) 5.893 4.340 ( 4.589 -2.440 4.881) 7.130 4.625 ( 3.241 3.689 -0.554) 4.942 5.642 ( -20.219 11.542 9.478) 25.137 5.773 ( -3.691 6.427 10.559) 12.901 6.162 ( 3.862 -8.258 8.142) 12.223 6.567 ( 5.801 -2.316 4.163) 7.506 7.018 ( 1.663 -2.005 -5.507) 6.092 7.263 ( 4.001 0.081 0.606) 4.048 7.717 ( 7.370 4.700 -0.515) 8.756 8.400 ( 10.504 15.447 -4.654) 19.251 8.570 ( -15.423 -0.180 5.339) 16.322 9.494 ( -13.020 14.329 -12.411) 22.998 9.909 ( 5.333 2.632 4.402) 7.399 10.454 ( 8.384 2.906 -9.652) 13.111 12.477 ( 3.252 11.121 21.896) 24.773 12.705 ( -0.450 11.672 14.740) 18.807 13.372 ( -2.319 -4.408 -7.800) 9.254 13.775 ( 0.610 3.960 6.044) 7.252 14.147 ( -3.379 -6.225 -1.126) 7.172 14.380 ( -8.431 0.921 1.012) 8.542 14.922 ( 8.295 -4.611 -7.722) 12.235 15.214 ( 10.144 -11.966 2.248) 15.848 16.212 ( -5.363 2.389 -11.166) 12.615 16.454 ( 3.585 5.849 -11.485) 13.378 17.491 ( 15.084 -2.768 -2.610) 15.556 17.822 ( 16.259 1.471 -7.307) 17.886 20.434 ( -1.304 -0.030 7.447) 7.561 21.231 ( -5.536 -12.629 10.503) 17.334 22.009 ( -5.622 3.026 -7.510) 9.857 22.449 ( 3.287 -1.394 -10.042) 10.658 ======================= Grid point 307 (159/260) ======================= q-point: (-0.20 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 2.518 16.782 17.784) 24.582 2.239 ( -13.240 2.226 16.856) 21.549 2.791 ( -0.371 -2.276 -10.980) 11.220 3.236 ( -5.818 1.300 -2.218) 6.360 3.534 ( 7.916 5.161 -6.922) 11.713 3.725 ( 9.130 3.764 -9.651) 13.808 4.371 ( -2.138 0.779 12.919) 13.118 4.641 ( -1.864 7.981 3.007) 8.730 5.252 ( -16.280 12.738 9.428) 22.720 5.740 ( 0.341 7.047 5.190) 8.759 6.278 ( 6.612 -10.828 10.399) 16.404 6.679 ( 4.033 -5.399 2.965) 7.363 7.036 ( -2.954 -2.074 -6.613) 7.534 7.310 ( 3.744 -2.914 -5.474) 7.244 7.719 ( -7.645 0.539 -1.054) 7.736 8.447 ( 6.251 11.806 -3.501) 13.810 8.592 ( 5.728 10.343 -1.233) 11.888 9.187 ( -15.198 17.366 -14.236) 27.115 9.998 ( 2.625 -0.649 9.358) 9.741 10.605 ( 6.287 -0.837 -9.501) 11.423 12.524 ( 0.791 3.965 15.183) 15.712 12.741 ( 2.795 8.319 15.133) 17.494 13.381 ( 4.712 1.643 -5.759) 7.620 13.742 ( -4.019 3.786 9.333) 10.844 14.115 ( 0.545 -5.830 -1.302) 5.999 14.239 ( -4.906 2.401 4.335) 6.973 14.959 ( -2.757 -5.159 -3.185) 6.660 15.512 ( 13.465 -3.777 -9.794) 17.074 16.111 ( -0.794 -5.929 -7.105) 9.288 16.631 ( 12.569 7.408 -14.247) 20.392 17.770 ( 10.824 -5.504 0.186) 12.144 18.133 ( 13.668 -0.153 -9.318) 16.543 20.400 ( -1.831 2.980 9.177) 9.821 21.116 ( -5.595 -10.291 11.391) 16.339 21.854 ( -9.554 4.509 -4.066) 11.320 22.505 ( 2.253 -2.793 -9.778) 10.416 ======================= Grid point 308 (160/260) ======================= q-point: (-0.10 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 6.677 16.454 18.847) 25.895 2.033 ( -5.520 6.070 19.457) 21.117 2.780 ( -1.010 2.313 -6.220) 6.713 3.090 ( -6.506 3.378 0.093) 7.331 3.731 ( 8.191 5.287 -8.442) 12.896 3.951 ( 13.166 6.395 0.327) 14.640 4.280 ( -5.757 2.972 18.706) 19.796 4.521 ( -9.598 14.471 0.242) 17.367 5.057 ( -2.053 7.444 9.165) 11.984 5.771 ( 1.805 8.013 -0.352) 8.222 6.382 ( 1.601 -9.010 13.432) 16.253 6.701 ( -4.026 -2.778 1.892) 5.244 6.870 ( -7.167 -4.925 5.004) 10.033 7.375 ( -1.972 -2.196 -4.219) 5.149 7.701 ( 11.837 -4.345 -19.014) 22.815 8.524 ( -8.055 6.054 -9.571) 13.898 8.680 ( 6.814 13.445 -7.394) 16.789 8.965 ( -3.608 23.515 -5.073) 24.325 10.018 ( -0.723 -4.500 12.023) 12.858 10.700 ( 2.956 -2.306 -8.660) 9.437 12.541 ( 1.127 -0.158 11.801) 11.856 12.772 ( 0.230 3.092 7.742) 8.340 13.530 ( 2.991 6.284 3.641) 7.854 13.691 ( 4.527 2.494 4.903) 7.124 14.090 ( -2.304 -3.173 -0.293) 3.933 14.251 ( 5.250 0.918 2.526) 5.898 14.855 ( -6.672 -6.879 -2.044) 9.799 15.603 ( -2.878 2.440 -13.831) 14.337 16.241 ( 9.529 -1.190 -3.057) 10.078 16.936 ( 16.806 2.478 -18.189) 24.888 17.913 ( 3.394 -8.116 1.799) 8.979 18.344 ( 6.139 -3.845 -10.905) 13.092 20.376 ( -0.475 4.339 11.535) 12.333 21.016 ( -4.045 -6.287 12.494) 14.560 21.631 ( -11.007 5.830 1.395) 12.533 22.538 ( 1.217 -4.335 -9.203) 10.246 ======================= Grid point 309 (161/260) ======================= q-point: ( 0.00 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 1.441 3.562 17.639) 18.052 2.252 ( 4.529 3.269 6.676) 8.705 2.905 ( 0.637 7.840 1.120) 7.945 3.112 ( -3.060 8.252 3.629) 9.520 3.916 ( -1.899 5.424 -2.128) 6.128 4.138 ( 2.050 -1.670 17.918) 18.112 4.520 ( 0.802 16.203 0.611) 16.234 4.680 ( 4.889 14.055 1.209) 14.930 5.184 ( -0.813 6.293 6.010) 8.740 5.879 ( -3.608 0.291 -1.703) 4.000 6.248 ( 2.715 -5.865 6.464) 9.141 6.557 ( -0.016 -10.991 2.059) 11.182 6.682 ( -8.546 6.076 8.345) 13.401 7.230 ( 1.034 -6.367 -8.034) 10.303 8.053 ( 22.335 0.554 -18.292) 28.875 8.185 ( -18.349 -2.955 -11.250) 21.725 9.092 ( 1.970 14.397 4.578) 15.235 9.503 ( 0.531 27.721 -7.717) 28.780 9.826 ( -4.070 -8.607 13.891) 16.841 10.634 ( 0.533 -7.358 -7.849) 10.772 12.559 ( 1.164 3.232 8.432) 9.104 12.932 ( 2.926 7.097 3.744) 8.541 13.529 ( -2.848 -5.262 12.326) 13.702 13.704 ( -1.014 -0.816 13.006) 13.071 14.231 ( 7.414 2.938 -1.410) 8.098 14.349 ( 2.754 -0.584 -7.656) 8.158 14.582 ( -0.927 -6.341 -10.007) 11.883 15.491 ( -7.869 -0.834 -9.243) 12.168 16.557 ( 3.188 13.292 -5.700) 14.810 17.255 ( 11.625 -0.186 -18.300) 21.681 17.729 ( -0.577 -11.476 -1.290) 11.562 18.169 ( -8.569 -9.638 -9.331) 15.918 20.398 ( -5.343 1.249 13.551) 14.620 21.014 ( 6.097 3.258 17.245) 18.579 21.606 ( -2.435 7.489 2.268) 8.195 22.418 ( -1.019 -7.955 -8.601) 11.760 ======================= Grid point 310 (162/260) ======================= q-point: ( 0.10 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 5.236 3.417 15.318) 16.545 2.333 ( 3.008 4.110 7.752) 9.275 2.864 ( -4.123 6.270 4.132) 8.566 3.076 ( -0.173 7.341 -1.373) 7.471 3.781 ( -9.248 2.830 3.784) 10.385 4.093 ( -8.062 8.422 -2.252) 11.874 4.507 ( 3.295 8.847 4.886) 10.630 4.912 ( 9.665 10.044 8.757) 16.462 5.204 ( 3.607 3.086 2.091) 5.187 5.742 ( -7.028 -2.712 1.815) 7.749 6.281 ( -3.551 0.021 3.861) 5.246 6.517 ( 0.340 -3.180 2.814) 4.260 6.667 ( 6.473 -1.329 3.026) 7.267 7.257 ( -2.727 -5.448 -8.989) 10.859 7.931 ( -1.279 -4.806 -3.478) 6.069 8.478 ( 15.836 3.708 -14.428) 21.742 8.981 ( -12.087 11.041 7.930) 18.190 9.464 ( -2.417 24.380 -8.722) 26.006 9.826 ( 2.700 -5.127 8.874) 10.599 10.636 ( -0.108 -4.610 -6.101) 7.648 12.607 ( 2.758 4.615 5.252) 7.516 13.008 ( 4.371 5.290 4.230) 8.061 13.445 ( -4.483 0.779 12.961) 13.737 13.723 ( 2.360 -4.044 8.478) 9.685 14.240 ( -4.262 -6.045 1.722) 7.594 14.398 ( 3.587 0.742 0.209) 3.669 14.708 ( 7.186 1.972 -25.214) 26.292 15.360 ( -3.522 -3.187 3.375) 5.827 16.384 ( -16.477 15.887 -11.220) 25.491 17.317 ( -5.331 -3.603 -14.932) 16.259 17.622 ( -11.711 -9.010 -0.759) 14.796 18.122 ( 4.836 -11.866 -10.588) 16.622 20.271 ( -6.377 -2.096 16.731) 18.027 21.130 ( 4.466 8.334 13.561) 16.532 21.677 ( 8.351 5.383 1.512) 10.050 22.395 ( -1.050 -9.205 -9.039) 12.943 ======================= Grid point 311 (163/260) ======================= q-point: ( 0.20 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 3.321 5.173 12.837) 14.233 2.392 ( 4.138 5.594 11.995) 13.867 2.789 ( -2.122 1.362 -0.548) 2.580 3.101 ( 2.506 2.224 -3.939) 5.171 3.575 ( -10.525 1.087 3.846) 11.258 3.899 ( -9.080 10.498 -11.964) 18.325 4.536 ( -2.988 1.303 -3.167) 4.545 4.988 ( -3.011 -1.249 3.442) 4.741 5.319 ( 7.416 2.687 8.129) 11.327 5.729 ( 6.837 4.253 8.747) 11.888 6.156 ( -5.890 4.041 0.857) 7.194 6.541 ( 0.129 -3.683 2.625) 4.525 6.874 ( 11.722 -0.788 0.518) 11.759 7.150 ( -3.533 -6.252 -7.671) 10.508 8.071 ( 9.445 -1.042 5.033) 10.753 8.568 ( -10.821 6.549 -0.648) 12.665 8.719 ( -7.345 7.172 3.219) 10.759 9.489 ( 5.039 17.161 -7.655) 19.455 9.884 ( 2.779 0.750 -0.145) 2.882 10.628 ( -0.632 -0.341 -4.930) 4.982 12.651 ( 1.302 6.676 1.465) 6.958 13.104 ( 4.069 5.528 8.948) 11.277 13.380 ( -1.149 -0.010 11.213) 11.271 13.790 ( 3.821 -2.245 1.294) 4.617 14.184 ( -0.726 -7.344 5.714) 9.333 14.421 ( -3.736 7.369 -1.609) 8.417 14.719 ( -3.793 -1.560 -9.133) 10.012 15.388 ( 4.251 -1.335 1.790) 4.802 16.032 ( -13.804 6.923 -15.189) 21.661 17.108 ( -12.428 -3.905 -11.923) 17.660 17.363 ( -12.584 -9.955 -0.572) 16.055 18.166 ( -2.749 -4.764 -15.247) 16.209 20.176 ( -2.644 -4.627 18.179) 18.944 21.210 ( 3.265 7.399 12.075) 14.533 21.872 ( 9.150 3.231 -2.838) 10.110 22.371 ( -1.193 -8.794 -9.941) 13.326 ======================= Grid point 312 (164/260) ======================= q-point: ( 0.30 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 0.335 10.066 12.861) 16.335 2.522 ( 6.219 -0.895 9.338) 11.255 2.785 ( 1.677 -1.676 -4.988) 5.522 3.176 ( 4.566 -4.598 -3.940) 7.584 3.376 ( -7.900 0.949 0.128) 7.958 3.737 ( -6.430 8.192 -12.596) 16.343 4.389 ( -9.715 -3.993 -11.957) 15.915 4.814 ( -11.988 -8.601 -6.314) 16.049 5.537 ( 12.132 4.361 16.525) 20.959 5.916 ( 8.474 6.507 10.414) 14.920 6.085 ( -0.223 5.045 1.956) 5.415 6.555 ( 2.032 -0.960 3.840) 4.449 7.028 ( 2.171 -5.588 -0.574) 6.023 7.225 ( 10.654 1.508 -3.923) 11.453 8.011 ( -16.849 3.917 9.279) 19.630 8.353 ( -9.745 5.161 -2.530) 11.314 8.688 ( 7.761 5.279 6.277) 11.292 9.568 ( 0.151 6.244 4.760) 7.853 9.975 ( 7.035 8.817 -13.246) 17.398 10.601 ( -2.208 4.073 -5.941) 7.534 12.669 ( 0.867 7.768 0.917) 7.870 13.130 ( -1.678 12.789 14.297) 19.256 13.435 ( 5.724 -7.356 5.914) 11.038 13.876 ( 4.567 -0.128 -1.781) 4.904 14.134 ( -11.698 5.894 7.534) 15.111 14.260 ( -2.481 1.855 2.084) 3.733 14.690 ( 0.628 -10.918 4.968) 12.011 15.375 ( -6.787 0.532 -6.612) 9.490 15.937 ( 4.516 -1.356 -13.102) 13.925 16.881 ( -8.458 -2.789 -10.965) 14.126 17.115 ( -10.739 -6.442 -5.382) 13.631 17.999 ( -12.450 1.072 -15.892) 20.216 20.171 ( 1.533 -6.384 16.679) 17.925 21.260 ( 1.095 2.265 12.488) 12.739 22.021 ( 5.226 1.625 -7.073) 8.943 22.345 ( -1.043 -6.437 -10.608) 12.452 ======================= Grid point 313 (165/260) ======================= q-point: ( 0.40 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 3.343 7.308 8.202) 11.482 2.552 ( -3.943 -0.702 2.040) 4.495 2.879 ( 7.426 -4.064 1.179) 8.547 3.204 ( -3.603 -7.061 1.429) 8.055 3.331 ( 4.139 -1.173 -12.412) 13.137 3.634 ( -3.477 3.905 -6.822) 8.595 4.210 ( -5.345 -4.722 -18.077) 19.433 4.537 ( -14.194 -11.207 -9.741) 20.541 5.770 ( 9.845 5.284 15.693) 19.264 6.048 ( 4.993 4.157 11.429) 13.147 6.148 ( 4.854 3.263 5.860) 8.280 6.598 ( 0.392 2.621 7.544) 7.996 7.054 ( 1.429 -0.334 0.837) 1.689 7.404 ( -0.854 2.381 1.248) 2.820 7.717 ( -2.094 3.904 1.702) 4.746 8.067 ( -15.656 6.972 -6.061) 18.179 8.966 ( 15.874 1.518 9.494) 18.559 9.480 ( -8.196 0.491 11.879) 14.440 10.145 ( 8.700 12.196 -17.247) 22.845 10.529 ( -4.735 8.265 -9.047) 13.137 12.701 ( 2.211 9.837 5.033) 11.269 13.073 ( -3.561 14.340 14.262) 20.536 13.535 ( 1.180 -8.802 4.225) 9.835 13.834 ( -9.881 11.677 2.000) 15.427 13.999 ( 5.609 0.314 1.720) 5.875 14.279 ( 1.069 -6.677 10.117) 12.169 14.706 ( 0.434 -12.042 4.227) 12.770 15.182 ( -10.382 -4.227 -4.800) 12.194 16.092 ( 8.662 0.616 -12.171) 14.952 16.759 ( -4.001 -1.852 -11.106) 11.950 16.974 ( -1.535 -1.606 -11.332) 11.547 17.700 ( -14.904 4.698 -14.680) 21.441 20.230 ( 3.585 -6.559 14.080) 15.941 21.253 ( -1.996 -3.997 13.493) 14.213 22.091 ( 2.057 -0.122 -10.039) 10.249 22.330 ( -0.101 -2.833 -10.468) 10.845 ======================= Grid point 314 (166/260) ======================= q-point: (-0.50 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -4.749 4.533 0.500) 6.584 2.472 ( 1.528 2.565 4.171) 5.129 3.034 ( 4.936 -6.931 4.857) 9.797 3.103 ( -4.451 -6.486 -0.425) 7.878 3.380 ( -1.105 0.233 -15.399) 15.440 3.611 ( 2.417 -0.731 -3.662) 4.448 4.223 ( 4.413 -7.623 -16.544) 18.742 4.267 ( -8.435 -8.518 -13.336) 17.932 5.928 ( 3.984 4.015 16.277) 17.232 6.097 ( -0.432 2.646 11.484) 11.793 6.265 ( 4.866 4.023 6.350) 8.954 6.547 ( -3.841 2.875 10.179) 11.253 7.096 ( 2.230 4.514 0.413) 5.051 7.199 ( -11.174 2.666 6.794) 13.346 7.771 ( -9.519 3.442 -5.491) 11.515 7.971 ( 17.029 6.373 -7.438) 19.645 9.224 ( -7.171 -1.381 9.556) 12.027 9.320 ( 8.417 0.227 13.721) 16.098 10.293 ( 4.344 10.386 -17.571) 20.869 10.410 ( -5.345 12.039 -11.327) 17.373 12.750 ( 1.799 14.239 12.808) 19.236 13.005 ( -2.920 12.615 14.134) 19.168 13.432 ( -7.722 -3.858 2.411) 8.962 13.787 ( 2.216 5.143 -2.241) 6.031 14.107 ( 3.016 -3.739 5.184) 7.068 14.301 ( 2.262 -6.823 10.853) 13.018 14.699 ( -1.560 -10.104 0.963) 10.269 14.991 ( -6.986 -6.235 -0.463) 9.375 16.251 ( 6.717 3.343 -13.178) 15.164 16.688 ( -3.535 0.696 -11.955) 12.486 17.038 ( 6.191 -0.806 -14.944) 16.196 17.467 ( -4.749 5.539 -11.160) 13.334 20.311 ( 3.893 -5.100 11.881) 13.503 21.187 ( -4.350 -8.896 14.123) 17.248 22.113 ( 0.377 -0.914 -11.105) 11.149 22.341 ( 1.300 -0.366 -10.007) 10.097 ======================= Grid point 315 (167/260) ======================= q-point: (-0.40 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( -7.236 9.829 4.779) 13.107 2.542 ( 1.717 -1.052 1.757) 2.672 2.911 ( -9.591 -4.539 3.709) 11.240 3.164 ( 3.797 -9.372 0.349) 10.118 3.373 ( 3.175 4.943 -11.289) 12.726 3.662 ( 0.155 -0.505 -6.541) 6.562 4.140 ( 1.315 -9.776 -9.871) 13.954 4.441 ( 11.629 -4.447 -15.186) 19.637 5.904 ( -5.113 1.733 16.275) 17.147 6.048 ( -5.953 -0.313 10.677) 12.229 6.253 ( -4.611 10.041 4.711) 12.011 6.534 ( 1.109 4.364 6.969) 8.297 7.013 ( -5.412 -1.405 3.689) 6.699 7.180 ( 4.844 3.542 0.774) 6.051 7.678 ( 1.436 2.531 -1.907) 3.479 8.342 ( 17.623 8.780 -7.426) 21.043 8.916 ( -17.380 -1.230 12.671) 21.544 9.583 ( 11.349 -0.186 10.395) 15.391 10.186 ( -9.873 12.381 -18.261) 24.171 10.440 ( 4.237 8.289 -11.892) 15.102 12.754 ( -1.680 15.584 16.826) 22.996 12.970 ( -0.913 12.856 17.976) 22.119 13.312 ( -3.645 -5.335 -3.214) 7.217 13.835 ( 2.063 4.226 1.203) 4.854 14.087 ( -3.856 -7.078 4.960) 9.464 14.401 ( 4.695 -7.349 5.532) 10.327 14.661 ( 1.119 -3.333 0.626) 3.572 14.926 ( -0.009 -8.586 1.390) 8.698 16.356 ( 2.948 5.675 -15.299) 16.582 16.565 ( -7.249 1.559 -14.710) 16.473 17.194 ( 10.188 -0.856 -8.674) 13.408 17.560 ( 11.854 3.205 -11.075) 16.536 20.386 ( 3.094 -2.579 10.808) 11.534 21.093 ( -4.779 -10.834 14.234) 18.516 22.102 ( -1.338 -0.271 -10.094) 10.186 22.377 ( 2.289 -0.160 -9.983) 10.243 ======================= Grid point 316 (168/260) ======================= q-point: (-0.30 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -2.637 13.690 9.841) 17.065 2.463 ( -9.540 -3.119 10.955) 14.858 2.771 ( -2.442 -1.270 -4.269) 5.079 3.240 ( 2.713 -6.230 0.717) 6.833 3.488 ( 7.600 5.914 -4.187) 10.501 3.652 ( 1.717 1.933 -10.284) 10.604 4.261 ( 7.991 -5.801 -5.098) 11.113 4.648 ( 7.884 -1.030 -9.569) 12.442 5.778 ( -8.874 2.015 14.398) 17.033 5.873 ( -7.301 1.538 8.138) 11.041 6.146 ( -5.144 8.560 5.661) 11.479 6.574 ( 3.194 2.637 3.080) 5.162 6.948 ( -0.912 -5.120 -3.136) 6.073 7.255 ( 0.938 -0.855 -2.055) 2.416 7.802 ( 7.030 3.771 3.048) 8.540 8.550 ( -8.641 0.382 10.694) 13.755 8.687 ( 8.513 10.805 -4.537) 14.485 9.712 ( -1.600 6.484 1.428) 6.829 10.007 ( -4.366 7.838 -10.229) 13.606 10.513 ( 3.062 2.892 -10.988) 11.767 12.704 ( -3.151 11.482 15.902) 19.865 12.948 ( -1.903 11.375 16.130) 19.829 13.286 ( 1.528 -3.033 -1.823) 3.854 13.864 ( 0.127 3.542 8.761) 9.451 14.001 ( -3.462 -7.611 0.126) 8.362 14.386 ( -4.237 -0.220 4.875) 6.463 14.842 ( 8.741 -3.432 -7.199) 11.833 14.989 ( 11.470 -10.247 5.747) 16.419 16.244 ( -11.538 1.127 -17.909) 21.334 16.570 ( 7.119 5.330 -13.065) 15.804 17.444 ( 12.963 -1.937 -3.585) 13.588 17.845 ( 14.688 0.967 -12.593) 19.371 20.438 ( 1.832 0.452 11.047) 11.207 21.006 ( -3.774 -9.840 14.279) 17.747 22.047 ( -4.125 0.980 -7.845) 8.917 22.421 ( 1.893 -1.258 -10.079) 10.332 ======================= Grid point 317 (169/260) ======================= q-point: (-0.20 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 1.672 11.632 11.238) 16.260 2.246 ( -9.821 0.078 15.867) 18.661 2.782 ( 2.627 2.632 -2.764) 4.633 3.239 ( -2.252 -1.532 3.502) 4.437 3.677 ( 9.490 8.218 -9.318) 15.634 3.771 ( 10.093 0.795 -0.834) 10.158 4.390 ( 3.675 0.995 0.424) 3.831 4.751 ( 2.498 3.439 -2.057) 4.723 5.518 ( -14.136 12.193 9.088) 20.763 5.826 ( 0.470 1.650 6.119) 6.355 6.108 ( 2.419 -4.774 7.800) 9.460 6.607 ( -1.357 -2.544 2.518) 3.828 6.987 ( 1.873 -2.531 -8.069) 8.662 7.255 ( 3.321 -2.587 -8.255) 9.266 7.729 ( -13.888 0.324 6.094) 15.170 8.577 ( 12.311 4.175 7.751) 15.135 8.814 ( -0.066 9.413 -7.028) 11.747 9.559 ( -8.171 18.854 -10.635) 23.138 9.992 ( -0.426 0.367 5.503) 5.531 10.568 ( 2.544 -3.064 -9.951) 10.718 12.634 ( -3.752 7.346 13.868) 16.135 12.906 ( -1.855 7.088 9.437) 11.948 13.379 ( 6.988 -1.882 2.938) 7.810 13.820 ( -3.713 2.345 12.085) 12.858 13.986 ( 1.524 -3.879 -2.412) 4.815 14.302 ( -3.152 2.837 5.254) 6.752 14.845 ( -4.170 -6.536 -2.816) 8.249 15.454 ( 26.307 -1.758 -5.029) 26.841 16.014 ( -7.911 -3.820 -14.572) 17.016 16.759 ( 10.776 5.395 -12.918) 17.667 17.666 ( 7.607 -4.797 -1.633) 9.141 18.122 ( 11.650 -0.777 -13.720) 18.016 20.466 ( 0.730 3.518 11.880) 12.411 20.943 ( -2.485 -7.171 15.396) 17.165 21.924 ( -7.734 2.764 -4.834) 9.530 22.444 ( 0.420 -3.139 -9.688) 10.193 ======================= Grid point 318 (170/260) ======================= q-point: (-0.10 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( -3.594 1.292 17.021) 17.444 2.162 ( 3.422 7.944 9.719) 13.010 2.853 ( 3.700 6.618 -0.157) 7.584 3.179 ( -3.267 4.668 4.321) 7.151 3.841 ( 6.914 4.674 -7.095) 10.954 4.021 ( 11.192 0.522 11.018) 15.714 4.421 ( 1.365 10.847 2.677) 11.256 4.752 ( -2.974 8.163 1.504) 8.817 5.267 ( -8.791 14.069 6.829) 17.941 5.867 ( 2.924 1.582 0.355) 3.344 6.200 ( 3.880 -9.369 10.426) 14.544 6.559 ( -1.520 -9.654 0.486) 9.785 6.879 ( -9.631 4.331 -0.211) 10.562 7.340 ( -8.545 -1.907 -0.378) 8.764 7.608 ( 16.172 -4.537 -15.665) 22.968 8.586 ( -16.647 1.836 -11.243) 20.171 8.915 ( 13.405 10.196 4.160) 17.348 9.480 ( 0.151 25.729 -6.497) 26.537 9.937 ( -5.059 -3.033 10.266) 11.840 10.612 ( 1.771 -7.016 -9.055) 11.591 12.569 ( -2.245 4.178 10.945) 11.928 12.893 ( 0.625 6.838 5.812) 8.997 13.516 ( 4.381 -8.616 8.841) 13.099 13.752 ( -3.077 4.627 13.512) 14.610 14.056 ( 6.505 2.200 -7.934) 10.493 14.284 ( 1.613 0.975 2.494) 3.126 14.713 ( -7.994 -7.483 -3.133) 11.389 15.654 ( -6.311 2.532 -17.206) 18.501 16.223 ( 24.900 -0.445 -2.511) 25.030 16.991 ( 12.151 2.964 -14.414) 19.084 17.743 ( 0.384 -8.722 -1.013) 8.789 18.268 ( 1.415 -3.617 -13.833) 14.368 20.465 ( -1.390 4.379 12.160) 12.999 20.926 ( 1.312 -2.992 17.929) 18.224 21.742 ( -9.129 5.539 -0.965) 10.722 22.438 ( -0.721 -5.631 -8.938) 10.589 ======================= Grid point 319 (171/260) ======================= q-point: ( 0.00 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 2.205 1.111 13.340) 13.567 2.262 ( 3.291 -0.709 5.593) 6.528 3.051 ( 0.595 5.323 3.642) 6.476 3.224 ( -2.870 2.643 2.073) 4.418 3.996 ( -4.517 2.413 5.849) 7.774 4.104 ( 7.785 -1.295 14.934) 16.891 4.716 ( -1.250 4.296 -7.601) 8.820 4.934 ( 9.880 8.087 6.339) 14.255 5.379 ( -8.486 13.326 4.988) 16.567 5.766 ( -6.973 -11.219 3.008) 13.548 6.128 ( 5.614 -4.350 5.214) 8.810 6.412 ( 4.479 -2.993 -3.671) 6.518 6.813 ( -13.024 5.413 2.892) 14.398 7.109 ( 4.025 -4.993 -3.767) 7.438 8.060 ( 25.701 0.225 -16.690) 30.646 8.146 ( -22.419 -1.020 -10.816) 24.913 9.349 ( 6.091 11.142 9.542) 15.884 9.631 ( -6.835 -8.993 14.739) 18.570 10.001 ( -3.063 20.118 -8.573) 22.082 10.431 ( 2.655 -12.655 -7.747) 15.074 12.652 ( 0.762 4.337 -1.011) 4.518 13.053 ( 3.459 4.801 7.534) 9.580 13.327 ( 0.218 -9.418 18.821) 21.047 13.773 ( -2.403 3.230 13.254) 13.852 14.237 ( -4.167 -1.111 5.767) 7.201 14.374 ( 2.926 2.849 -7.944) 8.932 14.478 ( 8.475 -4.302 -15.880) 18.507 15.479 ( -9.445 -0.331 -12.658) 15.797 16.789 ( 13.130 8.586 -4.839) 16.418 17.241 ( 5.685 -1.198 -13.575) 14.766 17.525 ( 1.038 -7.215 -5.848) 9.345 18.037 ( -13.916 -3.533 -10.910) 18.032 20.417 ( -7.769 0.558 13.479) 15.567 21.061 ( 9.710 1.306 21.764) 23.868 21.752 ( -0.926 5.776 -0.707) 5.893 22.270 ( -3.253 -5.665 -9.030) 11.145 ======================= Grid point 320 (172/260) ======================= q-point: ( 0.10 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 4.493 1.000 10.905) 11.837 2.354 ( 5.150 -0.458 5.338) 7.431 3.017 ( -4.200 7.191 8.699) 12.043 3.151 ( -3.623 -0.021 -1.568) 3.947 3.813 ( -11.242 0.744 9.111) 14.489 4.200 ( -1.647 2.711 1.699) 3.598 4.643 ( -3.023 3.613 -5.469) 7.218 5.119 ( 1.038 10.015 7.946) 12.826 5.244 ( -1.721 -0.461 -0.649) 1.896 5.660 ( 0.606 -4.011 7.620) 8.633 6.208 ( 0.625 -4.387 5.035) 6.707 6.495 ( 1.693 0.675 -0.056) 1.824 6.697 ( 5.080 1.782 -3.664) 6.512 7.173 ( -3.919 -2.630 -6.901) 8.361 7.857 ( -0.445 -2.208 -0.952) 2.446 8.529 ( 18.409 1.424 -14.243) 23.319 9.154 ( -18.802 5.617 13.376) 23.748 9.673 ( 4.606 -2.151 11.502) 12.576 9.923 ( -2.886 12.689 -13.040) 18.422 10.511 ( 4.571 -6.569 -4.612) 9.237 12.701 ( 3.438 3.626 -3.678) 6.205 13.113 ( 2.307 5.037 8.375) 10.042 13.342 ( 0.946 -7.361 17.234) 18.764 13.752 ( 0.364 3.315 8.683) 9.302 14.134 ( -4.688 -3.560 4.192) 7.227 14.367 ( 0.862 -1.950 3.123) 3.781 14.765 ( 11.999 2.082 -29.654) 32.057 15.314 ( -5.100 -1.294 0.684) 5.306 16.696 ( -19.642 13.891 -13.489) 27.581 17.168 ( -6.591 -10.213 -4.372) 12.918 17.499 ( -13.402 -2.867 -4.936) 14.567 17.962 ( 10.218 -4.104 -14.146) 17.926 20.246 ( -8.318 -0.624 17.410) 19.305 21.241 ( 6.396 2.792 18.534) 19.805 21.815 ( 6.609 6.899 -1.563) 9.681 22.214 ( -1.939 -7.747 -10.271) 13.010 ======================= Grid point 321 (173/260) ======================= q-point: ( 0.20 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 5.208 0.335 8.342) 9.840 2.464 ( 5.330 1.128 4.642) 7.157 2.901 ( -6.401 7.944 10.549) 14.675 3.086 ( -2.645 -3.662 -0.672) 4.567 3.578 ( -11.074 -0.146 5.555) 12.390 4.066 ( -8.886 5.288 -9.549) 14.075 4.542 ( -8.395 -0.278 -11.411) 14.169 4.942 ( -13.146 -2.183 -3.974) 13.906 5.357 ( 10.433 1.195 11.772) 15.775 5.815 ( 10.605 3.066 12.685) 16.817 6.177 ( -2.103 -0.613 0.662) 2.289 6.536 ( 1.744 1.470 2.439) 3.339 6.852 ( 5.055 -1.224 -4.019) 6.573 7.062 ( 1.721 -2.343 -7.217) 7.781 8.051 ( 12.927 -0.673 7.156) 14.791 8.655 ( -14.482 2.281 3.140) 14.993 8.817 ( -4.733 2.659 3.218) 6.311 9.704 ( -1.189 4.200 9.410) 10.373 9.949 ( 6.069 4.665 -18.120) 19.671 10.597 ( 3.607 -1.909 -3.571) 5.423 12.763 ( 2.202 3.770 -4.980) 6.623 13.172 ( 3.813 1.319 6.581) 7.719 13.364 ( 0.700 -0.996 17.396) 17.439 13.791 ( 3.177 1.390 5.187) 6.239 14.075 ( -1.101 -2.982 6.270) 7.030 14.406 ( 2.350 -3.786 5.707) 7.241 14.787 ( -9.454 3.899 -20.320) 22.749 15.364 ( 7.950 -0.837 4.736) 9.291 16.185 ( -24.391 6.389 -16.531) 30.150 17.007 ( -8.961 -5.113 -7.520) 12.767 17.216 ( -12.017 -3.804 -2.654) 12.881 18.108 ( 1.577 -1.325 -18.132) 18.249 20.114 ( -4.265 -1.652 19.960) 20.477 21.317 ( 0.949 3.002 16.511) 16.808 21.972 ( 7.295 6.286 -4.617) 10.679 22.193 ( 0.205 -8.438 -11.607) 14.352 ======================= Grid point 322 (174/260) ======================= q-point: ( 0.30 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 3.359 1.157 8.118) 8.862 2.567 ( 4.097 3.394 5.742) 7.828 2.788 ( -3.948 2.822 7.421) 8.867 3.050 ( -0.738 -6.704 1.471) 6.903 3.391 ( -6.411 0.392 -1.215) 6.536 3.888 ( -7.877 5.526 -11.638) 15.101 4.321 ( -11.350 -2.139 -18.858) 22.114 4.645 ( -15.260 -6.355 -10.053) 19.347 5.619 ( 13.362 2.804 16.821) 21.665 6.000 ( 6.337 1.945 11.854) 13.582 6.141 ( -0.365 1.151 -0.299) 1.244 6.593 ( 4.365 3.038 5.547) 7.684 6.925 ( 4.577 -3.963 -2.714) 6.635 7.249 ( 12.122 0.716 -4.234) 12.860 8.065 ( -16.546 1.468 11.092) 19.974 8.407 ( -5.326 1.051 1.140) 5.548 8.773 ( 2.834 2.547 5.037) 6.316 9.643 ( -5.165 1.828 12.306) 13.471 10.128 ( 10.318 4.984 -21.866) 24.687 10.648 ( 1.280 0.993 -5.465) 5.701 12.797 ( 1.783 4.406 -3.242) 5.753 13.252 ( 2.245 -2.790 5.873) 6.879 13.388 ( 2.265 4.756 15.276) 16.159 13.875 ( 4.630 0.018 6.003) 7.582 14.080 ( 1.034 -2.953 8.658) 9.206 14.413 ( -7.496 2.914 1.075) 8.114 14.526 ( -8.130 -2.725 2.465) 8.922 15.373 ( -10.619 -0.361 4.230) 11.437 15.938 ( 3.482 0.706 -21.243) 21.538 16.833 ( -7.000 -1.734 -11.044) 13.189 17.017 ( -6.987 -2.881 -7.178) 10.423 18.018 ( -9.235 0.669 -18.930) 21.074 20.083 ( 0.734 -2.380 19.525) 19.683 21.292 ( -3.476 0.897 16.176) 16.569 22.072 ( 2.515 3.173 -9.231) 10.080 22.225 ( 2.883 -5.086 -10.703) 12.196 ======================= Grid point 323 (175/260) ======================= q-point: ( 0.40 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 1.370 2.927 9.328) 9.872 2.574 ( -3.605 3.054 12.094) 12.984 2.794 ( 4.165 -3.513 -0.520) 5.474 3.040 ( -1.104 -6.334 1.199) 6.540 3.341 ( 1.744 0.557 -8.305) 8.504 3.745 ( -5.928 5.225 -8.670) 11.731 4.130 ( -5.728 -2.605 -23.270) 24.106 4.329 ( -14.570 -7.752 -14.477) 21.954 5.865 ( 9.648 3.302 17.388) 20.158 6.092 ( 4.283 0.633 9.515) 10.454 6.194 ( 4.098 1.290 5.675) 7.118 6.652 ( -0.437 1.952 8.200) 8.440 7.049 ( 7.068 -0.156 -0.780) 7.113 7.434 ( -0.800 0.734 1.288) 1.684 7.768 ( -1.984 1.360 3.064) 3.895 8.158 ( -16.271 2.336 -6.905) 17.829 8.993 ( 14.527 0.905 11.459) 18.525 9.490 ( -9.937 0.396 15.418) 18.347 10.322 ( 8.264 4.991 -21.467) 23.538 10.643 ( -1.746 3.090 -9.276) 9.932 12.858 ( 4.371 5.380 0.947) 6.996 13.240 ( -2.580 0.541 11.666) 11.961 13.446 ( 0.973 1.443 8.521) 8.696 13.948 ( -0.056 0.765 12.471) 12.495 14.073 ( -3.853 4.807 6.828) 9.196 14.184 ( -3.287 -2.440 1.028) 4.221 14.501 ( 0.077 -6.987 7.638) 10.352 15.105 ( -12.448 -2.699 1.248) 12.799 16.115 ( 10.369 1.043 -17.558) 20.418 16.731 ( -2.738 -0.860 -12.079) 12.415 16.950 ( 0.880 -0.713 -14.105) 14.150 17.770 ( -13.282 2.014 -18.077) 22.522 20.138 ( 4.009 -2.498 17.186) 17.823 21.191 ( -6.261 -1.857 16.420) 17.671 22.096 ( 0.535 0.392 -11.184) 11.203 22.284 ( 2.760 -1.476 -10.260) 10.727 ======================= Grid point 324 (176/260) ======================= q-point: (-0.50 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( -2.234 3.461 8.842) 9.755 2.511 ( -0.370 1.071 13.327) 13.375 2.881 ( 3.209 -5.357 -0.924) 6.313 2.980 ( -4.809 -4.448 -1.387) 6.696 3.440 ( 7.003 2.942 -10.863) 13.255 3.648 ( -2.539 3.415 -5.067) 6.617 4.008 ( -9.182 -9.213 -16.278) 20.837 4.180 ( 4.442 -2.381 -24.707) 25.216 5.991 ( 1.562 1.938 17.417) 17.593 6.147 ( -0.903 1.728 12.088) 12.244 6.318 ( 7.781 1.332 5.855) 9.829 6.586 ( -3.812 1.011 8.952) 9.782 7.160 ( 0.408 1.719 1.286) 2.185 7.242 ( -8.461 1.403 6.025) 10.481 7.809 ( -10.622 0.819 -6.910) 12.699 8.056 ( 17.588 2.224 -7.867) 19.396 9.209 ( -9.052 -0.251 12.417) 15.368 9.328 ( 8.761 0.310 16.822) 18.969 10.437 ( 2.172 3.908 -20.764) 21.240 10.582 ( -3.039 4.836 -12.285) 13.548 12.964 ( 4.748 6.764 6.192) 10.326 13.185 ( -2.050 4.165 15.521) 16.200 13.373 ( -7.262 -1.076 7.778) 10.696 13.879 ( -2.396 2.627 5.621) 6.651 14.043 ( -1.932 -1.782 7.836) 8.265 14.217 ( 3.640 -1.482 7.632) 8.585 14.518 ( 2.137 -6.515 3.905) 7.890 14.901 ( -7.297 -2.660 1.548) 7.919 16.307 ( 8.282 1.739 -15.901) 18.013 16.696 ( -1.891 0.182 -13.875) 14.004 17.027 ( 5.865 -0.310 -17.716) 18.664 17.549 ( -5.278 2.385 -14.912) 15.998 20.240 ( 5.337 -1.937 14.689) 15.748 21.056 ( -6.733 -3.795 16.850) 18.538 22.101 ( 0.168 -0.277 -11.057) 11.062 22.333 ( 2.251 -0.263 -10.263) 10.511 ======================= Grid point 325 (177/260) ======================= q-point: (-0.40 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( -3.790 5.772 9.466) 11.717 2.530 ( -0.507 0.131 9.938) 9.952 2.843 ( -5.392 -0.642 -1.213) 5.564 2.950 ( 2.770 -9.565 3.457) 10.541 3.551 ( 3.808 10.145 -6.488) 12.630 3.665 ( 1.645 0.025 -5.705) 5.937 3.916 ( 4.096 -10.989 -17.470) 21.041 4.368 ( 12.169 -2.227 -23.059) 26.168 5.934 ( -6.371 1.006 16.980) 18.164 6.054 ( -8.136 0.443 11.380) 13.996 6.388 ( -0.284 3.315 4.333) 5.463 6.620 ( 4.427 3.354 6.779) 8.763 6.979 ( -10.554 -1.466 3.783) 11.307 7.232 ( 0.894 1.481 -0.657) 1.850 7.707 ( 2.465 0.633 -1.280) 2.848 8.459 ( 19.189 3.068 -8.505) 21.212 8.901 ( -16.621 -0.402 16.127) 23.163 9.580 ( 11.442 -0.055 13.937) 18.032 10.353 ( -8.496 4.350 -21.750) 23.752 10.568 ( 0.566 3.888 -12.793) 13.382 12.980 ( -3.077 6.482 7.307) 10.241 13.166 ( -4.212 3.592 11.368) 12.645 13.268 ( 1.005 2.740 15.986) 16.250 13.862 ( 0.170 -1.964 8.719) 8.939 13.960 ( -5.270 -3.973 2.412) 7.027 14.322 ( 6.132 -0.471 5.019) 7.938 14.597 ( 5.764 -2.710 3.735) 7.384 14.806 ( -2.216 -3.304 1.137) 4.138 16.442 ( 3.345 2.546 -16.869) 17.385 16.583 ( -7.118 0.319 -18.150) 19.498 17.182 ( 10.176 -0.335 -10.110) 14.349 17.609 ( 9.867 1.459 -14.730) 17.790 20.351 ( 5.097 -0.890 13.383) 14.349 20.937 ( -4.867 -4.420 17.008) 18.234 22.095 ( -0.813 -0.290 -10.077) 10.114 22.375 ( 1.963 -0.061 -10.161) 10.349 ======================= Grid point 326 (178/260) ======================= q-point: (-0.30 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( -4.845 4.048 6.912) 9.362 2.432 ( -7.921 0.477 8.153) 11.377 2.817 ( 2.757 6.510 3.090) 7.715 3.041 ( 5.857 -11.496 8.958) 15.707 3.645 ( 4.125 3.858 1.560) 5.859 3.684 ( 4.072 4.041 -11.627) 12.966 4.130 ( 13.622 -6.028 -13.815) 20.316 4.616 ( 11.275 -1.294 -18.264) 21.503 5.791 ( -6.801 0.133 15.715) 17.124 5.868 ( -8.166 -0.477 10.719) 13.483 6.346 ( -6.061 7.543 4.198) 10.548 6.644 ( -1.369 4.006 2.437) 4.885 6.829 ( -1.747 -6.136 -2.606) 6.891 7.238 ( -0.946 -0.602 -4.531) 4.667 7.854 ( 7.014 1.436 5.437) 8.990 8.550 ( -9.599 -0.048 15.421) 18.164 8.835 ( 11.569 3.915 -6.303) 13.743 9.770 ( 6.265 0.833 13.115) 14.558 10.152 ( -9.276 4.804 -22.149) 24.488 10.556 ( -1.751 1.248 -11.354) 11.555 12.901 ( -4.249 7.892 8.412) 12.292 13.041 ( -6.223 -1.942 1.774) 6.757 13.320 ( 1.430 4.787 23.047) 23.582 13.858 ( -1.890 -2.536 9.831) 10.328 13.898 ( 0.892 -2.896 2.141) 3.711 14.403 ( 0.356 1.862 4.319) 4.717 14.774 ( 0.409 -3.499 -1.711) 3.917 14.855 ( 19.426 -2.729 2.667) 19.797 16.259 ( -14.264 0.426 -22.267) 26.447 16.643 ( 8.184 1.989 -13.391) 15.820 17.419 ( 11.555 -0.681 -4.222) 12.321 17.859 ( 13.286 0.360 -16.378) 21.093 20.448 ( 4.152 0.434 13.679) 14.302 20.868 ( -2.248 -3.871 16.632) 17.224 22.055 ( -3.118 0.082 -8.151) 8.727 22.404 ( 0.777 -0.465 -10.085) 10.126 ======================= Grid point 327 (179/260) ======================= q-point: (-0.20 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -5.307 0.044 7.845) 9.472 2.290 ( -5.099 2.166 8.121) 9.830 2.908 ( 5.166 8.235 3.777) 10.429 3.169 ( 5.629 -5.059 10.683) 13.092 3.722 ( 5.374 -1.435 -2.852) 6.251 3.850 ( 9.698 4.710 0.990) 10.826 4.400 ( 12.155 0.053 -10.020) 15.752 4.789 ( 5.189 0.761 -8.329) 9.842 5.658 ( -5.692 2.566 12.538) 14.007 5.812 ( 2.444 -1.680 7.895) 8.434 6.140 ( -11.515 5.278 6.527) 14.249 6.544 ( -7.420 -3.619 -0.191) 8.258 6.957 ( 8.956 -0.508 -9.618) 13.152 7.216 ( 2.805 -1.161 -10.141) 10.586 7.731 ( -17.892 0.010 10.701) 20.848 8.632 ( 14.773 1.455 11.661) 18.877 8.936 ( -3.144 3.100 -7.317) 8.546 9.825 ( -0.294 6.334 7.652) 9.938 10.033 ( -1.674 3.618 -13.169) 13.759 10.496 ( -3.618 -3.336 -9.733) 10.907 12.796 ( -6.190 8.116 5.886) 11.783 12.959 ( -1.055 -2.136 3.214) 4.001 13.331 ( -0.301 -1.812 20.361) 20.444 13.851 ( 0.272 2.674 12.884) 13.161 13.942 ( 4.302 -2.887 -4.129) 6.625 14.368 ( -2.909 3.436 5.488) 7.098 14.721 ( -4.970 -4.969 -1.394) 7.165 15.440 ( 34.600 -0.084 -0.864) 34.611 15.965 ( -13.095 -1.219 -22.045) 25.670 16.832 ( 10.037 1.962 -11.590) 15.457 17.597 ( 4.880 -1.995 -2.767) 5.954 18.109 ( 10.346 -0.412 -16.818) 19.750 20.523 ( 2.571 1.837 13.641) 14.002 20.844 ( -0.202 -2.760 17.844) 18.057 21.962 ( -5.756 1.024 -5.362) 7.933 22.396 ( -1.538 -1.485 -9.698) 9.931 ======================= Grid point 328 (180/260) ======================= q-point: (-0.10 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -1.437 0.100 12.385) 12.469 2.232 ( -0.688 0.760 6.233) 6.316 3.004 ( 3.737 6.041 2.238) 7.447 3.244 ( 1.212 1.689 6.917) 7.223 3.876 ( 9.249 -0.578 3.853) 10.036 4.026 ( 5.664 0.596 8.384) 10.135 4.612 ( 8.704 6.432 -6.301) 12.523 4.842 ( 1.438 1.725 1.509) 2.706 5.550 ( -6.879 12.122 6.698) 15.463 5.856 ( -1.722 -1.746 3.197) 4.029 6.022 ( 2.817 -7.799 9.405) 12.538 6.405 ( -4.361 -4.691 -3.162) 7.143 6.972 ( -3.232 3.670 -9.067) 10.302 7.295 ( -18.856 -2.154 7.879) 20.549 7.545 ( 22.283 -1.635 -14.338) 26.547 8.609 ( -19.401 0.573 -11.312) 22.465 9.062 ( 17.266 4.270 10.258) 20.532 9.785 ( -4.854 2.297 12.243) 13.369 10.026 ( 0.256 14.057 -9.592) 17.020 10.427 ( -2.139 -10.929 -9.181) 14.433 12.684 ( -3.886 5.647 1.962) 7.130 12.983 ( 2.731 1.713 5.988) 6.801 13.326 ( -0.357 -7.215 19.710) 20.992 13.828 ( -2.579 2.407 16.891) 17.255 14.118 ( 12.473 1.905 -15.374) 19.888 14.308 ( -2.772 2.023 5.598) 6.566 14.578 ( -8.269 -5.354 -2.747) 10.227 15.690 ( -10.751 1.007 -18.732) 21.621 16.223 ( 36.403 0.240 -3.611) 36.583 17.040 ( 10.293 1.579 -11.005) 15.151 17.607 ( -3.450 -4.210 -3.507) 6.475 18.216 ( -1.256 -1.461 -15.990) 16.106 20.530 ( -2.791 1.840 11.746) 12.212 20.892 ( 5.313 -0.756 21.999) 22.644 21.833 ( -6.005 3.073 -2.361) 7.147 22.342 ( -3.295 -3.307 -9.024) 10.160 ======================= Grid point 369 (181/260) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -1.453 0.000 18.819) 18.875 2.130 ( 10.361 0.000 13.620) 17.113 2.476 ( -6.000 0.000 -1.966) 6.313 2.748 ( -0.651 0.000 -13.886) 13.902 3.519 ( -2.407 0.000 -11.520) 11.769 3.686 ( -1.462 0.000 -7.330) 7.474 4.586 ( 7.040 0.000 24.195) 25.198 4.655 ( 0.051 0.000 18.287) 18.287 5.205 ( 2.725 0.000 6.734) 7.265 5.450 ( 0.480 0.000 -5.328) 5.350 6.527 ( -4.752 0.000 9.689) 10.792 6.835 ( -10.748 0.000 12.630) 16.584 7.170 ( 3.375 0.000 -1.127) 3.558 7.313 ( -5.259 0.000 -9.655) 10.994 7.591 ( 15.913 0.000 -19.351) 25.053 7.957 ( 2.144 0.000 -0.128) 2.148 8.093 ( -4.083 0.000 -11.629) 12.325 8.500 ( -0.495 0.000 -3.616) 3.650 10.319 ( -2.004 0.000 7.009) 7.290 10.608 ( -0.576 0.000 -4.861) 4.895 12.674 ( 8.634 0.000 5.534) 10.255 12.907 ( -9.990 0.000 -4.004) 10.763 13.423 ( -2.258 0.000 3.024) 3.774 13.493 ( 5.555 0.000 -3.893) 6.783 14.297 ( 4.333 0.000 6.426) 7.750 14.374 ( -1.118 0.000 -0.814) 1.383 15.035 ( -2.260 0.000 -0.067) 2.261 15.462 ( 7.088 0.000 2.348) 7.466 15.956 ( -15.502 0.000 -2.643) 15.726 16.866 ( 9.681 0.000 -16.132) 18.814 18.185 ( -3.663 0.000 5.483) 6.593 18.464 ( 5.692 0.000 -8.299) 10.064 20.556 ( 6.225 0.000 9.319) 11.207 20.909 ( -10.860 0.000 -4.120) 11.615 21.677 ( 2.095 0.000 12.099) 12.279 22.474 ( 1.067 0.000 -9.093) 9.156 ======================= Grid point 370 (182/260) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 8.357 0.000 16.984) 18.929 2.240 ( -3.334 0.000 14.117) 14.506 2.477 ( 9.712 0.000 -5.444) 11.134 2.750 ( 0.900 0.000 -13.589) 13.619 3.379 ( -9.833 0.000 -7.912) 12.621 3.558 ( -8.537 0.000 -6.454) 10.703 4.675 ( 1.241 0.000 17.399) 17.443 4.880 ( 18.574 0.000 16.238) 24.671 5.187 ( -3.942 0.000 0.343) 3.957 5.535 ( 7.199 0.000 0.530) 7.219 6.474 ( -10.320 0.000 5.884) 11.880 6.602 ( -1.482 0.000 10.032) 10.141 7.186 ( -2.104 0.000 3.171) 3.805 7.286 ( 2.237 0.000 -11.575) 11.789 7.912 ( 9.482 0.000 -7.209) 11.911 8.014 ( 7.128 0.000 -6.047) 9.348 8.038 ( 0.345 0.000 -12.445) 12.450 8.463 ( -2.783 0.000 -3.314) 4.328 10.234 ( -6.169 0.000 7.845) 9.980 10.550 ( -4.596 0.000 -3.859) 6.001 12.716 ( -8.273 0.000 -0.106) 8.273 12.872 ( 9.306 0.000 4.749) 10.448 13.364 ( -1.965 0.000 -0.471) 2.020 13.541 ( -1.292 0.000 -2.132) 2.493 14.301 ( -4.188 0.000 0.452) 4.212 14.448 ( 7.843 0.000 4.311) 8.950 14.996 ( -1.080 0.000 0.080) 1.083 15.552 ( -20.840 0.000 1.473) 20.891 15.643 ( 9.021 0.000 -2.387) 9.332 16.953 ( -0.863 0.000 -17.862) 17.883 18.044 ( -10.197 0.000 4.451) 11.126 18.498 ( -2.949 0.000 -9.083) 9.550 20.621 ( -3.748 0.000 2.626) 4.576 20.812 ( 5.824 0.000 6.951) 9.068 21.778 ( 6.622 0.000 7.696) 10.153 22.477 ( -0.672 0.000 -9.786) 9.809 ======================= Grid point 371 (183/260) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( -4.421 0.000 12.735) 13.481 2.246 ( 12.382 0.000 7.879) 14.676 2.673 ( 5.026 0.000 -9.879) 11.084 2.814 ( 5.698 0.000 -14.242) 15.340 3.179 ( -6.791 0.000 -2.912) 7.389 3.418 ( -3.044 0.000 -5.363) 6.166 4.677 ( -1.741 0.000 11.807) 11.935 5.083 ( -5.260 0.000 -0.874) 5.332 5.299 ( 20.580 0.000 14.758) 25.324 5.715 ( 9.822 0.000 6.121) 11.574 6.171 ( -13.929 0.000 4.848) 14.748 6.699 ( 5.803 0.000 -0.550) 5.829 7.129 ( -3.698 0.000 3.884) 5.363 7.319 ( 0.063 0.000 -9.027) 9.027 7.880 ( -6.871 0.000 -4.217) 8.062 8.041 ( -0.518 0.000 -1.145) 1.256 8.328 ( 12.055 0.000 -9.571) 15.392 8.460 ( 9.165 0.000 -5.082) 10.480 10.088 ( -7.583 0.000 7.132) 10.410 10.427 ( -7.330 0.000 -3.304) 8.040 12.568 ( -6.169 0.000 5.247) 8.099 12.994 ( 1.549 0.000 4.062) 4.347 13.386 ( 2.635 0.000 -10.185) 10.520 13.464 ( -3.677 0.000 10.020) 10.673 14.190 ( -5.977 0.000 0.807) 6.032 14.608 ( 6.811 0.000 5.508) 8.760 14.997 ( 1.197 0.000 -1.633) 2.025 15.162 ( -15.193 0.000 -7.758) 17.059 15.839 ( 9.523 0.000 -1.503) 9.641 16.862 ( -6.395 0.000 -16.108) 17.331 17.769 ( -16.513 0.000 3.178) 16.816 18.314 ( -14.896 0.000 -7.367) 16.618 20.550 ( -1.275 0.000 1.271) 1.801 21.014 ( 11.470 0.000 8.085) 14.033 21.915 ( 6.068 0.000 4.014) 7.275 22.441 ( -2.839 0.000 -10.473) 10.851 ======================= Grid point 372 (184/260) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -0.283 0.000 8.180) 8.185 2.443 ( 4.880 0.000 -8.463) 9.769 2.666 ( -7.002 0.000 -15.200) 16.735 2.816 ( -1.638 0.000 -8.836) 8.986 3.244 ( 11.509 0.000 -3.172) 11.939 3.521 ( 13.604 0.000 3.160) 13.967 4.591 ( -7.216 0.000 7.290) 10.258 4.951 ( -8.023 0.000 0.376) 8.032 5.707 ( 17.789 0.000 12.305) 21.630 5.893 ( 4.256 0.000 12.718) 13.411 6.010 ( 2.320 0.000 1.458) 2.740 6.820 ( 6.229 0.000 -3.370) 7.082 7.025 ( -6.285 0.000 2.000) 6.595 7.262 ( -5.359 0.000 -7.612) 9.309 7.701 ( -9.861 0.000 -4.919) 11.019 7.886 ( -13.299 0.000 2.828) 13.596 8.575 ( 15.557 0.000 -4.752) 16.266 8.822 ( 20.460 0.000 -4.669) 20.986 9.939 ( -7.027 0.000 3.810) 7.993 10.240 ( -11.188 0.000 -2.857) 11.547 12.465 ( -4.069 0.000 10.113) 10.901 12.954 ( -4.356 0.000 8.236) 9.317 13.309 ( -5.083 0.000 3.005) 5.905 13.552 ( 6.773 0.000 -7.775) 10.311 14.078 ( -4.762 0.000 0.501) 4.788 14.708 ( 2.760 0.000 4.199) 5.025 14.928 ( -7.138 0.000 -11.881) 13.860 15.061 ( 4.198 0.000 -1.871) 4.596 16.034 ( 9.557 0.000 -2.077) 9.780 16.734 ( -5.054 0.000 -13.097) 14.039 17.389 ( -19.626 0.000 1.922) 19.720 17.916 ( -22.461 0.000 -3.959) 22.807 20.563 ( 1.730 0.000 0.528) 1.809 21.258 ( 11.866 0.000 6.586) 13.571 22.019 ( 4.012 0.000 1.399) 4.249 22.355 ( -5.414 0.000 -10.831) 12.108 ======================= Grid point 373 (185/260) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 4.493 0.000 1.263) 4.667 2.395 ( -11.196 0.000 -10.880) 15.612 2.487 ( -4.489 0.000 -19.615) 20.122 2.817 ( 0.786 0.000 -10.607) 10.636 3.573 ( 19.250 0.000 1.986) 19.352 3.884 ( 19.436 0.000 5.189) 20.117 4.371 ( -14.298 0.000 4.189) 14.899 4.741 ( -12.467 0.000 0.491) 12.477 5.918 ( 5.680 0.000 11.926) 13.209 6.069 ( 12.209 0.000 6.815) 13.982 6.170 ( 8.647 0.000 7.088) 11.181 6.817 ( -8.573 0.000 3.467) 9.248 6.977 ( -0.622 0.000 -4.204) 4.250 7.171 ( 2.190 0.000 -7.682) 7.988 7.480 ( -12.359 0.000 -1.775) 12.486 7.597 ( -11.867 0.000 4.002) 12.524 8.919 ( 16.817 0.000 -5.270) 17.623 9.236 ( 19.160 0.000 -2.767) 19.359 9.791 ( -7.693 0.000 -0.425) 7.704 9.961 ( -15.586 0.000 -1.682) 15.677 12.398 ( -2.716 0.000 15.808) 16.040 12.896 ( 0.123 0.000 12.332) 12.332 13.226 ( -3.175 0.000 -2.368) 3.961 13.649 ( 1.417 0.000 -12.493) 12.573 14.005 ( -1.314 0.000 -1.104) 1.717 14.728 ( -1.299 0.000 -8.691) 8.788 14.829 ( -2.389 0.000 2.965) 3.808 15.169 ( 5.777 0.000 -3.878) 6.958 16.220 ( 7.780 0.000 -0.591) 7.803 16.665 ( -1.865 0.000 -9.399) 9.582 17.017 ( -14.750 0.000 -0.417) 14.756 17.460 ( -19.799 0.000 -1.002) 19.824 20.597 ( 1.168 0.000 0.512) 1.275 21.494 ( 10.832 0.000 5.730) 12.254 22.086 ( 2.696 0.000 -1.257) 2.975 22.216 ( -7.742 0.000 -10.723) 13.226 ======================= Grid point 374 (186/260) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -12.870 0.000 -4.911) 13.775 2.261 ( 7.383 0.000 -6.409) 9.776 2.421 ( -2.124 0.000 -16.338) 16.476 2.837 ( 1.376 0.000 -14.278) 14.344 3.979 ( 18.761 0.000 3.744) 19.130 4.018 ( -18.489 0.000 2.878) 18.711 4.268 ( 15.682 0.000 6.557) 16.998 4.447 ( -15.239 0.000 -0.922) 15.267 6.016 ( 0.737 0.000 10.732) 10.757 6.232 ( 1.676 0.000 5.104) 5.372 6.330 ( 7.879 0.000 9.163) 12.085 6.624 ( -8.797 0.000 0.674) 8.823 6.890 ( -2.624 0.000 -2.406) 3.560 7.202 ( -9.952 0.000 2.856) 10.354 7.356 ( 5.540 0.000 -2.022) 5.898 7.496 ( 5.073 0.000 -2.199) 5.529 9.193 ( 5.263 0.000 -6.554) 8.406 9.516 ( 1.685 0.000 -3.244) 3.655 9.584 ( -11.370 0.000 -3.349) 11.853 9.752 ( 4.804 0.000 1.263) 4.967 12.375 ( 0.865 0.000 20.014) 20.033 12.948 ( 2.111 0.000 18.584) 18.703 13.190 ( 0.672 0.000 -13.320) 13.337 13.595 ( -4.204 0.000 -11.022) 11.797 14.048 ( 4.415 0.000 -5.061) 6.716 14.642 ( -6.259 0.000 -12.383) 13.875 14.821 ( 0.681 0.000 9.909) 9.932 15.270 ( 3.596 0.000 -5.134) 6.268 16.285 ( -2.824 0.000 2.403) 3.708 16.581 ( -7.213 0.000 -1.077) 7.293 16.896 ( 3.867 0.000 -7.944) 8.835 17.229 ( 0.375 0.000 0.723) 0.814 20.601 ( -0.835 0.000 1.068) 1.356 21.692 ( 7.995 0.000 6.116) 10.066 22.026 ( -9.223 0.000 -9.745) 13.417 22.151 ( 2.709 0.000 -4.699) 5.424 ======================= Grid point 375 (187/260) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -9.233 0.000 4.830) 10.420 2.388 ( 1.573 0.000 -10.091) 10.213 2.438 ( 7.042 0.000 -12.364) 14.229 2.871 ( 2.236 0.000 -14.527) 14.698 3.611 ( -19.399 0.000 1.007) 19.426 4.065 ( -18.227 0.000 -3.951) 18.651 4.347 ( 14.922 0.000 5.739) 15.988 4.567 ( 10.440 0.000 9.876) 14.371 5.915 ( -8.988 0.000 11.038) 14.234 6.062 ( -15.894 0.000 8.318) 17.939 6.497 ( -1.629 0.000 -9.332) 9.473 6.557 ( 10.859 0.000 11.629) 15.911 6.915 ( 2.668 0.000 1.747) 3.189 7.082 ( -0.415 0.000 -1.185) 1.255 7.430 ( 4.954 0.000 0.719) 5.006 7.734 ( 12.992 0.000 -3.702) 13.509 8.961 ( -21.158 0.000 -6.331) 22.084 9.261 ( -15.372 0.000 -4.024) 15.890 9.720 ( 13.196 0.000 2.349) 13.404 9.986 ( 12.502 0.000 -4.496) 13.286 12.453 ( 6.204 0.000 20.208) 21.139 12.906 ( -5.785 0.000 21.046) 21.827 13.215 ( -0.407 0.000 -19.379) 19.383 13.609 ( 7.295 0.000 -7.517) 10.475 14.140 ( 4.172 0.000 -5.241) 6.699 14.479 ( -9.154 0.000 -5.556) 10.708 14.854 ( 2.640 0.000 5.272) 5.896 15.312 ( 0.980 0.000 -7.034) 7.102 16.163 ( -6.879 0.000 2.474) 7.310 16.421 ( -6.705 0.000 1.163) 6.805 17.115 ( 16.144 0.000 -5.764) 17.143 17.436 ( 16.252 0.000 0.731) 16.269 20.564 ( -2.654 0.000 1.758) 3.183 21.758 ( -5.823 0.000 -3.364) 6.725 21.881 ( -0.630 0.000 1.711) 1.823 22.215 ( 3.584 0.000 -7.321) 8.151 ======================= Grid point 376 (188/260) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -2.670 0.000 15.175) 15.408 2.409 ( 0.245 0.000 -0.600) 0.648 2.560 ( 2.415 0.000 -15.083) 15.275 2.928 ( 4.015 0.000 -12.049) 12.700 3.286 ( -10.254 0.000 -4.459) 11.181 3.700 ( -15.674 0.000 -5.168) 16.504 4.593 ( 8.389 0.000 7.255) 11.091 4.707 ( 3.265 0.000 13.934) 14.311 5.671 ( -18.054 0.000 12.857) 22.164 5.736 ( -10.463 0.000 10.123) 14.558 6.516 ( 4.266 0.000 -14.119) 14.749 6.763 ( 7.689 0.000 10.732) 13.202 6.960 ( 3.151 0.000 -2.872) 4.264 7.154 ( 4.860 0.000 -2.612) 5.517 7.564 ( 7.271 0.000 -0.096) 7.272 7.940 ( 4.872 0.000 -0.553) 4.903 8.523 ( -18.200 0.000 -3.382) 18.512 8.924 ( -16.902 0.000 -7.977) 18.690 9.991 ( 12.267 0.000 6.574) 13.918 10.219 ( 10.431 0.000 -8.460) 13.431 12.597 ( 4.402 0.000 12.895) 13.626 12.796 ( -1.113 0.000 19.622) 19.654 13.188 ( -0.906 0.000 -13.649) 13.679 13.766 ( 3.483 0.000 -4.180) 5.441 14.204 ( 1.295 0.000 1.490) 1.974 14.320 ( -3.390 0.000 -0.681) 3.458 14.939 ( 5.353 0.000 -2.950) 6.112 15.327 ( 0.965 0.000 -9.735) 9.783 16.055 ( -2.741 0.000 -2.157) 3.488 16.344 ( -0.671 0.000 4.302) 4.354 17.501 ( 20.350 0.000 -3.910) 20.722 17.796 ( 17.247 0.000 2.154) 17.381 20.501 ( -3.208 0.000 2.852) 4.292 21.565 ( -10.227 0.000 -9.156) 13.727 21.887 ( -1.426 0.000 9.552) 9.658 22.294 ( 4.123 0.000 -8.711) 9.638 ======================= Grid point 377 (189/260) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 3.978 0.000 20.197) 20.585 2.307 ( -11.103 0.000 12.262) 16.542 2.558 ( 0.701 0.000 -13.521) 13.540 2.987 ( -3.560 0.000 -14.409) 14.842 3.230 ( 6.458 0.000 -6.726) 9.325 3.514 ( -0.589 0.000 -8.735) 8.755 4.688 ( 0.825 0.000 13.752) 13.776 4.717 ( -2.405 0.000 16.611) 16.784 5.321 ( -13.980 0.000 16.641) 21.734 5.572 ( -6.091 0.000 2.931) 6.760 6.645 ( 7.245 0.000 -14.545) 16.249 6.873 ( 2.888 0.000 9.121) 9.567 7.047 ( 4.568 0.000 -4.193) 6.201 7.219 ( 1.486 0.000 -6.175) 6.351 7.677 ( 0.128 0.000 -0.133) 0.184 7.855 ( -7.037 0.000 5.604) 8.996 8.350 ( -1.194 0.000 -6.841) 6.944 8.597 ( -13.194 0.000 -9.897) 16.493 10.201 ( 7.725 0.000 8.759) 11.679 10.417 ( 8.934 0.000 -9.858) 13.304 12.562 ( -3.337 0.000 7.657) 8.353 12.963 ( 12.301 0.000 12.230) 17.345 13.183 ( 0.527 0.000 -6.595) 6.616 13.681 ( -9.209 0.000 -2.958) 9.672 14.217 ( 0.977 0.000 12.044) 12.083 14.345 ( 2.700 0.000 0.203) 2.707 15.035 ( 3.183 0.000 -3.391) 4.651 15.352 ( 1.219 0.000 -11.456) 11.521 16.078 ( 4.763 0.000 -12.665) 13.531 16.394 ( 5.759 0.000 6.537) 8.712 17.904 ( 17.871 0.000 -2.860) 18.098 18.100 ( 11.801 0.000 2.607) 12.086 20.449 ( -1.487 0.000 5.042) 5.257 21.355 ( -10.121 0.000 -9.597) 13.947 21.814 ( -5.356 0.000 11.822) 12.979 22.375 ( 3.702 0.000 -8.685) 9.441 ======================= Grid point 378 (190/260) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 8.195 0.000 17.838) 19.630 2.066 ( -10.145 0.000 17.080) 19.866 2.567 ( -1.251 0.000 -8.225) 8.320 2.824 ( -7.496 0.000 -11.432) 13.670 3.443 ( 9.794 0.000 -11.224) 14.896 3.604 ( 6.830 0.000 -9.702) 11.865 4.600 ( -6.395 0.000 24.783) 25.594 4.681 ( -2.054 0.000 16.828) 16.953 5.162 ( -1.499 0.000 13.762) 13.843 5.483 ( -2.873 0.000 -4.163) 5.058 6.681 ( -6.425 0.000 -2.027) 6.737 6.909 ( 1.921 0.000 8.975) 9.178 7.118 ( 1.796 0.000 1.745) 2.504 7.296 ( 8.407 0.000 -19.471) 21.208 7.510 ( -9.623 0.000 0.721) 9.649 7.886 ( 4.444 0.000 0.943) 4.543 8.231 ( -8.924 0.000 -13.825) 16.455 8.491 ( 0.683 0.000 -4.125) 4.181 10.310 ( 2.809 0.000 7.428) 7.942 10.564 ( 4.971 0.000 -7.249) 8.790 12.552 ( 2.722 0.000 6.306) 6.869 13.081 ( -4.604 0.000 -4.543) 6.468 13.288 ( 10.955 0.000 2.461) 11.228 13.511 ( -5.549 0.000 0.320) 5.558 14.240 ( 1.308 0.000 10.570) 10.650 14.381 ( 0.671 0.000 0.517) 0.847 15.064 ( -0.162 0.000 0.355) 0.390 15.372 ( 1.802 0.000 -4.573) 4.915 16.137 ( -1.827 0.000 -10.271) 10.432 16.604 ( 13.880 0.000 -5.779) 15.035 18.173 ( 6.333 0.000 3.490) 7.231 18.298 ( 9.235 0.000 -4.433) 10.244 20.459 ( 2.622 0.000 7.966) 8.387 21.140 ( -10.891 0.000 -8.675) 13.924 21.704 ( -4.474 0.000 13.712) 14.423 22.438 ( 2.548 0.000 -8.680) 9.047 ======================= Grid point 379 (191/260) ======================= q-point: ( 0.00 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -0.081 11.197 17.142) 20.475 2.212 ( 7.416 7.322 12.812) 16.516 2.544 ( -3.296 6.277 -3.555) 7.931 2.796 ( -1.979 5.251 -10.164) 11.611 3.540 ( -1.381 3.168 -7.566) 8.318 3.791 ( -2.658 9.714 -10.425) 14.495 4.567 ( 6.562 -2.395 17.790) 19.113 4.664 ( 1.145 2.454 24.577) 24.726 5.200 ( 2.510 -0.075 5.018) 5.611 5.528 ( -0.317 6.813 -6.461) 9.395 6.529 ( -5.077 -0.150 9.166) 10.479 6.806 ( -7.863 -2.699 10.965) 13.760 7.085 ( -0.401 -7.279 -0.147) 7.292 7.284 ( -2.738 -3.595 -5.935) 7.460 7.592 ( 16.920 1.278 -20.579) 26.672 8.050 ( -5.724 0.440 -10.177) 11.685 8.208 ( 2.131 18.165 -3.481) 18.618 8.626 ( -0.473 12.592 -1.989) 12.757 10.290 ( -2.131 -2.907 8.077) 8.845 10.607 ( -0.263 -0.302 -5.581) 5.595 12.704 ( 7.285 1.390 2.923) 7.971 12.866 ( -7.192 -1.430 3.614) 8.175 13.474 ( -3.226 4.899 3.407) 6.783 13.584 ( 5.619 8.126 -8.581) 13.086 14.238 ( 0.802 -5.438 6.182) 8.272 14.382 ( 1.866 0.257 -0.717) 2.015 14.912 ( -2.521 -10.689 0.362) 10.989 15.466 ( 5.135 -0.877 -0.703) 5.256 16.044 ( -12.884 8.596 -0.499) 15.496 16.874 ( 9.763 0.807 -15.997) 18.758 18.134 ( -3.582 -5.222 5.159) 8.168 18.403 ( 4.769 -6.210 -8.000) 11.194 20.564 ( 4.531 0.709 8.961) 10.066 20.931 ( -8.564 2.679 -3.068) 9.484 21.680 ( 1.619 0.360 11.994) 12.108 22.451 ( 0.886 -2.412 -8.971) 9.331 ======================= Grid point 380 (192/260) ======================= q-point: ( 0.10 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 6.737 10.940 15.559) 20.178 2.301 ( -0.894 5.434 12.814) 13.947 2.555 ( 6.233 7.208 -5.711) 11.110 2.778 ( 0.260 3.239 -9.700) 10.230 3.420 ( -8.972 4.433 -6.487) 11.926 3.624 ( -10.398 6.515 -7.289) 14.272 4.668 ( 1.668 -0.859 15.175) 15.291 4.893 ( 18.124 2.209 17.045) 24.978 5.202 ( -2.286 1.109 1.125) 2.779 5.578 ( 5.423 4.148 -2.102) 7.144 6.444 ( -11.516 -2.823 6.247) 13.402 6.608 ( -1.301 0.587 9.272) 9.381 7.088 ( 0.059 -8.316 0.946) 8.370 7.270 ( -0.086 -2.855 -9.223) 9.656 7.909 ( 10.910 1.614 -7.758) 13.484 8.044 ( 5.385 1.325 -11.703) 12.950 8.240 ( 3.292 18.435 -6.634) 19.867 8.572 ( -4.514 11.225 -1.555) 12.198 10.209 ( -5.628 -2.423 8.665) 10.613 10.560 ( -3.894 0.752 -4.560) 6.043 12.699 ( -6.059 -1.703 1.299) 6.426 12.913 ( 9.046 4.225 5.872) 11.583 13.390 ( -3.269 3.291 1.324) 4.824 13.631 ( -1.444 7.987 -6.740) 10.550 14.235 ( -2.160 -5.647 2.485) 6.536 14.462 ( 6.203 0.520 2.438) 6.686 14.879 ( -0.411 -10.151 -0.073) 10.160 15.545 ( -4.658 -2.493 -2.025) 5.658 15.737 ( -8.038 9.785 1.060) 12.707 16.962 ( -1.008 0.910 -17.783) 17.835 17.992 ( -10.256 -5.225 4.333) 12.299 18.429 ( -2.803 -7.031 -8.413) 11.317 20.597 ( -2.806 -2.051 5.019) 6.105 20.872 ( 4.738 5.895 4.786) 8.951 21.773 ( 6.305 -0.434 8.057) 10.240 22.451 ( -0.795 -2.728 -9.574) 9.987 ======================= Grid point 381 (193/260) ======================= q-point: ( 0.20 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( -3.341 6.327 13.663) 15.423 2.367 ( 9.974 9.883 6.386) 15.426 2.678 ( 2.725 0.861 -6.488) 7.090 2.833 ( 5.014 2.061 -12.453) 13.582 3.235 ( -6.646 5.506 -4.216) 9.606 3.451 ( -4.456 3.292 -6.117) 8.253 4.669 ( -2.227 -1.035 10.309) 10.598 5.082 ( -4.181 -0.374 -0.031) 4.198 5.337 ( 19.100 3.987 13.753) 23.872 5.735 ( 9.259 1.839 3.907) 10.217 6.138 ( -13.890 -2.416 5.871) 15.272 6.689 ( 4.852 -1.538 -1.350) 5.266 7.072 ( -1.847 -5.135 3.164) 6.308 7.267 ( -0.024 -4.843 -7.791) 9.174 7.983 ( -4.977 9.325 -4.155) 11.358 8.108 ( 1.385 5.651 -0.789) 5.872 8.411 ( 4.081 7.860 -6.579) 11.033 8.553 ( 12.433 10.180 -6.908) 17.491 10.077 ( -7.042 -1.090 7.742) 10.523 10.454 ( -6.348 2.463 -4.043) 7.919 12.587 ( -4.769 1.659 5.475) 7.448 13.041 ( 1.961 4.776 5.457) 7.512 13.395 ( 3.782 1.916 -5.200) 6.709 13.550 ( -4.834 7.306 2.144) 9.019 14.155 ( -5.191 -2.932 1.164) 6.074 14.594 ( 5.435 -1.927 6.737) 8.868 14.900 ( 2.591 -7.369 -4.868) 9.204 15.237 ( -15.515 5.345 -5.074) 17.176 15.827 ( 8.461 -1.062 -0.973) 8.583 16.862 ( -7.037 -0.012 -16.229) 17.689 17.718 ( -16.307 -5.024 3.152) 17.352 18.259 ( -13.793 -5.545 -7.215) 16.524 20.539 ( -1.338 -1.160 3.378) 3.814 21.049 ( 10.532 3.669 6.641) 12.980 21.905 ( 5.882 -0.912 4.132) 7.247 22.413 ( -2.849 -2.858 -10.222) 10.990 ======================= Grid point 382 (194/260) ======================= q-point: ( 0.30 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -1.014 5.749 9.634) 11.265 2.529 ( 2.984 7.255 -10.154) 12.831 2.653 ( -5.098 -0.131 -7.274) 8.884 2.864 ( -0.871 4.108 -11.833) 12.556 3.248 ( 8.206 0.356 -3.137) 8.793 3.523 ( 11.837 -0.090 1.991) 12.003 4.566 ( -8.235 -2.931 5.697) 10.434 4.946 ( -8.799 -1.073 -0.023) 8.865 5.723 ( 16.283 1.565 11.621) 20.066 5.911 ( 3.544 0.957 9.792) 10.458 5.984 ( 4.262 -0.244 3.958) 5.822 6.771 ( 2.690 -5.570 -3.867) 7.295 7.024 ( -1.957 0.943 -0.560) 2.243 7.252 ( -1.616 -1.490 -3.182) 3.867 7.796 ( -11.581 8.849 -5.060) 15.429 7.952 ( -14.342 6.412 2.393) 15.891 8.606 ( 15.437 3.412 -0.581) 15.820 8.922 ( 19.495 9.573 -7.872) 23.101 9.932 ( -7.176 -0.403 4.900) 8.699 10.289 ( -9.991 4.472 -4.073) 11.680 12.511 ( -2.625 4.298 9.143) 10.439 13.012 ( -3.707 6.001 10.007) 12.243 13.383 ( -4.663 7.093 -1.444) 8.611 13.582 ( 6.739 2.979 -5.431) 9.153 14.044 ( -5.112 -2.799 1.567) 6.035 14.674 ( 2.610 -3.773 6.376) 7.855 14.941 ( -3.389 1.093 -14.932) 15.350 15.035 ( 0.122 -2.200 -0.027) 2.203 16.010 ( 9.140 -2.377 -1.328) 9.537 16.720 ( -5.609 -1.348 -13.452) 14.637 17.346 ( -19.172 -4.322 1.742) 19.730 17.888 ( -21.029 -2.772 -4.523) 21.687 20.545 ( 1.370 -1.731 2.442) 3.292 21.274 ( 10.964 1.750 5.830) 12.540 22.004 ( 3.648 -1.442 1.213) 4.106 22.330 ( -5.066 -2.531 -10.600) 12.018 ======================= Grid point 383 (195/260) ======================= q-point: ( 0.40 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 2.956 3.664 2.872) 5.514 2.415 ( -10.807 2.272 -8.167) 13.735 2.567 ( -3.153 7.312 -19.153) 20.742 2.855 ( 0.356 3.586 -11.879) 12.413 3.529 ( 17.357 -4.567 3.270) 18.243 3.852 ( 18.061 -3.544 4.943) 19.057 4.331 ( -14.305 -4.338 2.570) 15.168 4.718 ( -13.266 -2.894 -0.790) 13.601 5.915 ( 6.057 -0.478 9.977) 11.682 6.072 ( 10.529 1.332 7.450) 12.967 6.172 ( 9.596 0.872 7.225) 12.043 6.744 ( -5.433 -5.461 1.382) 7.826 7.010 ( -1.853 2.697 -4.285) 5.392 7.245 ( 3.544 5.398 -2.450) 6.907 7.532 ( -13.349 5.167 -0.445) 14.321 7.659 ( -11.755 5.982 0.637) 13.205 8.952 ( 17.020 3.367 -1.636) 17.427 9.303 ( 16.713 6.374 -4.860) 18.536 9.779 ( -7.751 -0.235 1.717) 7.942 10.039 ( -13.919 6.771 -4.396) 16.091 12.478 ( -0.991 7.631 14.423) 16.347 12.955 ( -0.630 5.947 12.909) 14.227 13.296 ( -3.494 7.017 -3.280) 8.497 13.674 ( 0.150 2.247 -10.508) 10.747 13.983 ( 0.737 -1.692 0.116) 1.849 14.712 ( 0.484 -2.316 -1.857) 3.008 14.823 ( -4.859 0.019 -2.878) 5.648 15.132 ( 5.705 -3.755 -4.319) 8.081 16.184 ( 6.936 -3.549 0.063) 7.792 16.645 ( -1.941 -2.005 -9.814) 10.203 16.986 ( -13.896 -3.011 -1.098) 14.261 17.461 ( -18.513 0.077 -2.009) 18.622 20.576 ( 1.166 -2.088 2.013) 3.127 21.489 ( 9.656 -0.454 5.639) 11.191 22.054 ( 0.944 -2.978 -2.225) 3.835 22.211 ( -5.622 -0.656 -9.950) 11.447 ======================= Grid point 384 (196/260) ======================= q-point: (-0.50 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( -9.782 2.207 -2.497) 10.334 2.305 ( 4.759 3.884 -3.625) 7.132 2.501 ( -2.254 7.665 -17.731) 19.448 2.874 ( 1.673 3.537 -15.110) 15.609 3.855 ( 4.072 -9.812 7.222) 12.846 4.017 ( -3.499 -3.491 2.998) 5.781 4.229 ( 12.315 -3.758 3.914) 13.457 4.424 ( -12.638 -2.968 -3.181) 13.366 6.028 ( 2.277 1.458 9.624) 9.997 6.209 ( 1.334 -0.983 5.530) 5.773 6.332 ( 5.570 -1.022 6.628) 8.718 6.605 ( -6.461 0.170 2.807) 7.047 6.926 ( -3.577 3.063 -1.060) 4.827 7.216 ( -7.644 2.144 4.689) 9.221 7.459 ( 1.413 8.046 -2.444) 8.527 7.549 ( 7.106 5.233 -4.334) 9.831 9.226 ( 4.269 3.294 -3.985) 6.705 9.489 ( -0.345 -0.829 1.600) 1.834 9.674 ( -5.038 6.969 -6.946) 11.054 9.813 ( 1.497 6.192 -1.552) 6.557 12.478 ( 1.066 10.009 19.046) 21.542 12.990 ( 2.060 4.238 16.302) 16.969 13.248 ( -0.664 5.751 -9.602) 11.212 13.599 ( -4.442 0.410 -9.486) 10.483 14.067 ( 5.539 2.017 -4.474) 7.400 14.644 ( -6.337 0.085 -11.782) 13.378 14.787 ( 0.368 -3.428 9.953) 10.533 15.227 ( 3.344 -4.302 -4.881) 7.316 16.237 ( -2.566 -4.472 2.277) 5.636 16.571 ( -6.295 -1.147 -2.305) 6.801 16.881 ( 4.212 -1.551 -8.593) 9.695 17.241 ( -0.063 1.178 -0.137) 1.188 20.585 ( -0.408 -1.616 2.072) 2.660 21.655 ( 5.673 -3.752 6.627) 9.496 21.995 ( -5.911 -2.513 -8.799) 10.894 22.164 ( 1.277 0.836 -5.962) 6.154 ======================= Grid point 385 (197/260) ======================= q-point: (-0.40 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -7.602 5.579 6.542) 11.477 2.418 ( 3.653 2.200 -7.537) 8.660 2.508 ( 4.735 7.607 -13.010) 15.797 2.914 ( 2.149 3.966 -15.645) 16.282 3.560 ( -17.679 -5.289 2.686) 18.648 4.009 ( -16.539 -6.024 -1.672) 17.681 4.305 ( 13.967 -4.200 3.632) 15.030 4.558 ( 11.117 -1.604 7.190) 13.337 5.952 ( -9.134 4.414 9.047) 13.592 6.081 ( -12.449 1.389 7.157) 14.427 6.381 ( -0.446 -7.905 -0.313) 7.924 6.586 ( 4.691 0.211 5.075) 6.915 6.901 ( 0.623 2.057 -0.530) 2.214 7.169 ( 2.621 4.950 3.250) 6.476 7.478 ( 3.750 4.438 -0.188) 5.813 7.812 ( 13.766 7.646 -5.229) 16.592 8.989 ( -20.197 2.745 -2.427) 20.527 9.337 ( -14.433 7.359 -6.723) 17.541 9.749 ( 12.623 2.855 2.913) 13.265 10.016 ( 11.484 3.026 -5.181) 12.957 12.541 ( 4.806 8.739 18.791) 21.273 12.965 ( -4.811 6.117 21.277) 22.655 13.239 ( -1.496 1.751 -16.270) 16.432 13.613 ( 7.046 0.883 -7.396) 10.253 14.162 ( 3.307 2.098 -4.395) 5.887 14.484 ( -8.511 0.496 -5.363) 10.072 14.812 ( 2.142 -4.086 4.999) 6.802 15.273 ( 1.662 -4.060 -5.583) 7.100 16.143 ( -4.669 -1.667 1.484) 5.175 16.413 ( -7.498 -0.832 -0.346) 7.552 17.098 ( 15.808 -1.645 -6.530) 17.183 17.432 ( 15.500 -0.383 -0.004) 15.504 20.560 ( -1.941 -0.401 2.362) 3.084 21.667 ( -5.298 -7.477 1.484) 9.283 21.916 ( -0.677 1.944 -2.396) 3.159 22.213 ( 3.199 -0.256 -7.480) 8.139 ======================= Grid point 386 (198/260) ======================= q-point: (-0.30 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -1.400 8.320 15.815) 17.924 2.459 ( 1.133 3.996 -2.751) 4.982 2.623 ( 2.525 6.984 -9.929) 12.399 2.942 ( 1.527 1.031 -12.180) 12.319 3.290 ( -6.216 0.480 -4.750) 7.838 3.670 ( -14.494 -3.285 -4.162) 15.433 4.555 ( 9.178 -4.049 6.545) 11.978 4.715 ( 3.996 0.409 11.782) 12.448 5.673 ( -17.235 3.137 10.571) 20.460 5.832 ( -10.170 6.696 9.408) 15.388 6.415 ( 4.734 -8.874 -7.830) 12.746 6.695 ( 5.392 -6.032 3.429) 8.788 6.942 ( 2.910 0.276 -1.271) 3.188 7.229 ( 1.424 3.858 -1.326) 4.321 7.616 ( 8.501 5.287 1.256) 10.089 8.048 ( 7.436 10.428 -2.347) 13.021 8.563 ( -18.169 4.069 -0.554) 18.627 9.012 ( -16.501 8.515 -9.810) 21.001 10.009 ( 11.524 1.652 6.992) 13.580 10.233 ( 9.802 1.319 -8.468) 13.020 12.648 ( 2.874 5.047 12.163) 13.479 12.871 ( -1.256 7.404 19.686) 21.070 13.201 ( -1.181 0.970 -11.916) 12.014 13.775 ( 4.733 1.586 -3.296) 5.982 14.181 ( -0.724 -2.029 -0.610) 2.239 14.351 ( -3.005 2.607 1.734) 4.339 14.883 ( 4.490 -5.137 -3.814) 7.816 15.310 ( 2.302 -2.132 -7.460) 8.093 16.074 ( -1.832 1.827 -3.370) 4.248 16.320 ( -0.692 -2.166 3.273) 3.985 17.474 ( 19.734 -2.604 -4.386) 20.382 17.778 ( 16.703 -1.745 0.957) 16.821 20.513 ( -2.472 1.141 3.177) 4.184 21.506 ( -8.948 -5.495 -3.995) 11.235 21.903 ( -1.883 1.296 5.201) 5.681 22.286 ( 3.859 -0.870 -8.719) 9.575 ======================= Grid point 387 (199/260) ======================= q-point: (-0.20 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 4.246 9.691 19.697) 22.359 2.395 ( -9.427 7.409 11.464) 16.589 2.590 ( -0.519 3.221 -9.888) 10.412 3.004 ( -0.348 2.325 -14.002) 14.198 3.278 ( 4.767 4.478 -6.416) 9.162 3.521 ( 2.423 0.596 -8.404) 8.767 4.665 ( 1.344 -3.044 10.633) 11.141 4.738 ( -1.820 2.778 16.848) 17.172 5.335 ( -13.984 2.801 14.005) 19.989 5.663 ( -6.459 7.551 3.003) 10.380 6.565 ( 9.172 -7.867 -9.535) 15.393 6.801 ( 3.391 -6.045 3.335) 7.692 7.005 ( 3.546 -3.271 -1.943) 5.201 7.215 ( -1.586 -1.235 -6.824) 7.113 7.707 ( -4.666 3.735 4.486) 7.473 8.043 ( -1.705 16.343 1.259) 16.480 8.406 ( -0.083 5.231 -5.862) 7.857 8.687 ( -13.053 9.262 -9.950) 18.845 10.200 ( 6.741 -0.115 9.258) 11.453 10.420 ( 8.516 0.156 -9.893) 13.055 12.614 ( -3.189 4.846 7.569) 9.537 12.982 ( 7.410 1.841 12.978) 15.057 13.202 ( 2.450 2.063 -6.290) 7.058 13.724 ( -7.260 4.509 -2.425) 8.884 14.222 ( 3.641 -0.286 7.735) 8.554 14.323 ( -0.788 -1.578 3.932) 4.310 14.960 ( 2.197 -6.421 -5.764) 8.904 15.361 ( 2.232 0.024 -8.781) 9.060 16.092 ( 3.990 0.744 -10.923) 11.653 16.393 ( 7.419 0.397 4.762) 8.824 17.861 ( 16.973 -4.139 -2.643) 17.669 18.074 ( 11.543 -2.677 0.798) 11.876 20.473 ( -1.069 2.403 5.118) 5.754 21.319 ( -9.102 -3.328 -5.763) 11.276 21.827 ( -5.350 1.139 8.896) 10.443 22.361 ( 3.449 -1.430 -8.709) 9.475 ======================= Grid point 388 (200/260) ======================= q-point: (-0.10 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 6.662 8.799 17.382) 20.590 2.190 ( -7.822 10.452 15.558) 20.309 2.594 ( -0.587 2.755 -7.170) 7.704 2.886 ( -6.774 6.077 -10.028) 13.542 3.459 ( 8.814 2.500 -8.169) 12.275 3.683 ( 10.300 6.966 -11.121) 16.682 4.598 ( -6.880 -1.337 17.885) 19.209 4.685 ( -2.396 2.424 22.054) 22.316 5.169 ( -1.971 1.328 10.822) 11.080 5.567 ( -3.089 7.274 -4.202) 8.951 6.679 ( -4.639 -0.475 -2.407) 5.248 6.805 ( 3.003 -8.959 7.033) 11.779 7.082 ( 1.986 -4.811 3.668) 6.367 7.278 ( 9.739 -1.604 -17.312) 19.928 7.477 ( -12.202 -0.865 1.011) 12.275 8.112 ( 4.569 18.914 -1.308) 19.502 8.265 ( -11.195 3.327 -13.585) 17.915 8.602 ( 1.899 11.587 -2.531) 12.011 10.290 ( 2.048 -1.950 8.316) 8.784 10.561 ( 4.874 -0.480 -7.689) 9.116 12.598 ( 2.175 4.081 5.604) 7.265 13.006 ( -4.797 -4.605 3.887) 7.702 13.361 ( 11.038 5.687 -3.121) 12.803 13.587 ( -4.907 7.005 -0.485) 8.567 14.244 ( -1.237 -0.124 9.200) 9.283 14.342 ( 2.324 -3.400 1.324) 4.326 14.962 ( -1.705 -8.648 -1.819) 9.000 15.395 ( 1.911 0.912 -4.336) 4.825 16.168 ( 0.670 2.936 -7.589) 8.164 16.616 ( 13.562 1.348 -6.410) 15.060 18.117 ( 6.440 -5.671 3.211) 9.162 18.263 ( 8.052 -3.599 -5.162) 10.219 20.485 ( 2.326 2.591 7.766) 8.511 21.127 ( -9.585 -0.938 -6.175) 11.441 21.715 ( -4.689 1.055 12.140) 13.057 22.420 ( 2.320 -1.963 -8.651) 9.170 ======================= Grid point 389 (201/260) ======================= q-point: ( 0.00 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 2.360 8.759 13.336) 16.129 2.354 ( 2.120 5.810 12.214) 13.691 2.694 ( 0.526 9.041 -4.537) 10.129 2.952 ( -3.257 9.610 -4.162) 10.968 3.665 ( -0.453 9.598 -2.708) 9.983 4.030 ( -3.643 14.056 -12.762) 19.332 4.526 ( 5.414 -1.233 15.245) 16.224 4.763 ( 3.459 7.732 24.708) 26.119 5.209 ( 0.970 1.009 2.597) 2.951 5.670 ( -1.410 6.871 -8.965) 11.383 6.491 ( -5.089 -4.409 7.727) 10.249 6.736 ( -0.316 -5.235 2.560) 5.836 6.925 ( -5.046 -7.649 7.407) 11.783 7.205 ( -3.330 -3.578 -3.138) 5.809 7.633 ( 19.502 2.417 -20.511) 28.405 8.023 ( -9.160 -2.182 -10.112) 13.818 8.661 ( 2.410 25.406 -3.987) 25.829 8.966 ( -0.678 21.555 0.686) 21.577 10.209 ( -2.566 -5.422 10.204) 11.836 10.582 ( 0.586 -2.664 -6.847) 7.371 12.663 ( 0.838 -3.851 0.120) 3.943 12.949 ( 0.238 8.487 12.446) 15.066 13.598 ( -3.475 7.144 2.872) 8.448 13.764 ( 6.640 9.573 -12.418) 17.027 14.101 ( -1.627 -8.177 7.729) 11.369 14.377 ( 2.659 -0.728 -2.476) 3.706 14.683 ( -3.644 -11.642 0.683) 12.218 15.408 ( 2.386 -4.815 -5.069) 7.387 16.263 ( -7.937 13.213 2.171) 15.566 16.899 ( 9.908 1.753 -15.491) 18.472 17.984 ( -2.849 -10.113 4.195) 11.313 18.230 ( 1.637 -11.033 -7.456) 13.417 20.580 ( 0.493 0.903 8.006) 8.071 21.031 ( -2.979 7.783 -0.105) 8.334 21.692 ( 0.681 0.797 11.183) 11.232 22.377 ( 0.286 -5.334 -8.804) 10.298 ======================= Grid point 390 (202/260) ======================= q-point: ( 0.10 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 3.763 8.576 13.368) 16.322 2.406 ( 2.583 4.221 8.836) 10.127 2.719 ( 2.002 8.951 -4.541) 10.235 2.896 ( -1.941 8.740 -1.692) 9.112 3.555 ( -8.694 9.187 -4.626) 13.468 3.802 ( -13.928 11.478 -7.465) 19.531 4.642 ( 2.450 -1.757 11.048) 11.452 4.987 ( 14.347 7.200 15.559) 22.355 5.221 ( 1.236 1.048 2.481) 2.963 5.671 ( 2.296 4.448 -5.120) 7.160 6.384 ( -10.450 -2.699 5.876) 12.289 6.613 ( -3.160 -0.584 6.447) 7.203 6.897 ( 2.320 -10.603 1.539) 10.963 7.184 ( -2.269 -5.174 -8.766) 10.428 7.945 ( 9.403 0.812 -1.158) 9.509 8.077 ( 14.416 2.744 -16.681) 22.218 8.667 ( -1.043 23.180 -5.740) 23.903 8.888 ( -6.501 20.457 0.592) 21.473 10.142 ( -4.033 -4.503 10.258) 11.906 10.565 ( -1.914 -0.681 -5.828) 6.172 12.658 ( -1.418 -2.151 1.752) 3.116 13.030 ( 6.832 7.445 9.180) 13.652 13.497 ( -4.370 7.241 2.452) 8.806 13.802 ( -3.311 7.905 -9.600) 12.869 14.120 ( 1.917 -4.873 2.325) 5.730 14.445 ( 4.200 -2.723 0.271) 5.012 14.665 ( 1.931 -10.456 0.409) 10.641 15.461 ( 1.519 -5.693 -3.770) 6.995 15.975 ( -16.504 13.887 1.554) 21.625 16.987 ( -1.681 1.613 -17.255) 17.411 17.850 ( -10.020 -9.018 4.067) 14.080 18.233 ( -1.934 -12.692 -6.924) 14.586 20.557 ( -2.679 -1.816 8.108) 8.730 21.036 ( 3.725 10.809 2.485) 11.700 21.766 ( 5.553 -0.177 8.382) 10.056 22.367 ( -1.085 -5.971 -9.122) 10.957 ======================= Grid point 391 (203/260) ======================= q-point: ( 0.20 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( -2.448 8.078 11.594) 14.341 2.525 ( 7.710 4.517 4.289) 9.911 2.744 ( -0.381 6.602 4.358) 7.920 2.898 ( 2.436 4.672 -8.887) 10.331 3.377 ( -7.422 8.318 -6.582) 12.946 3.545 ( -9.308 6.657 -7.747) 13.819 4.621 ( -4.675 -4.450 5.786) 8.668 5.057 ( -5.564 -2.761 -0.968) 6.286 5.448 ( 17.254 6.976 13.612) 23.058 5.776 ( 7.562 2.560 2.551) 8.381 6.124 ( -10.689 1.744 5.096) 11.970 6.627 ( 1.023 -4.553 -2.018) 5.084 6.966 ( 4.124 -5.045 1.505) 6.688 7.151 ( 0.522 -6.713 -5.764) 8.863 8.148 ( 5.915 4.984 4.764) 9.084 8.243 ( -0.130 8.987 -9.271) 12.913 8.613 ( -5.310 12.322 0.234) 13.419 8.855 ( 9.637 19.586 -9.741) 23.903 10.049 ( -5.142 -1.722 8.837) 10.368 10.505 ( -3.990 2.214 -5.409) 7.076 12.622 ( -1.717 1.717 4.309) 4.946 13.166 ( 4.283 7.196 8.012) 11.589 13.472 ( 2.790 5.871 -1.124) 6.597 13.692 ( -5.750 5.589 -3.378) 8.701 14.124 ( -2.092 1.272 -0.948) 2.625 14.515 ( 2.094 -6.203 8.406) 10.654 14.758 ( 6.664 -6.829 -5.376) 10.952 15.335 ( -14.046 4.360 -4.867) 15.492 15.811 ( 2.537 0.122 0.480) 2.585 16.859 ( -8.889 -0.492 -16.224) 18.506 17.585 ( -15.597 -8.238 3.495) 17.981 18.111 ( -10.307 -9.073 -7.292) 15.548 20.507 ( -1.644 -2.039 7.925) 8.346 21.163 ( 7.768 8.066 3.850) 11.842 21.885 ( 5.259 -1.035 3.991) 6.683 22.328 ( -2.665 -5.923 -9.573) 11.569 ======================= Grid point 392 (204/260) ======================= q-point: ( 0.30 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -2.387 9.064 10.066) 13.754 2.620 ( -1.831 2.223 -5.075) 5.835 2.729 ( 0.730 6.633 -0.093) 6.673 2.957 ( 2.050 4.974 -10.390) 11.700 3.266 ( -1.222 2.159 -4.877) 5.472 3.510 ( 6.461 -0.964 -2.102) 6.862 4.456 ( -11.102 -8.715 1.766) 14.224 4.877 ( -11.439 -6.811 -2.761) 13.597 5.758 ( 10.503 2.253 11.588) 15.801 5.947 ( 8.821 4.497 6.303) 11.738 6.052 ( 4.707 5.714 5.728) 9.361 6.643 ( 1.208 -6.020 -2.573) 6.657 7.044 ( 2.672 0.175 -3.686) 4.556 7.204 ( 4.486 -2.938 0.491) 5.385 7.997 ( -14.883 10.622 -1.519) 18.348 8.106 ( -14.281 8.375 -0.200) 16.557 8.710 ( 14.236 7.028 5.801) 16.902 9.160 ( 16.635 13.919 -12.039) 24.807 9.933 ( -6.295 0.544 6.498) 9.064 10.388 ( -7.573 5.087 -6.184) 11.021 12.608 ( 0.642 5.043 6.635) 8.359 13.181 ( -2.166 10.755 12.567) 16.682 13.538 ( -1.345 6.605 -8.538) 10.878 13.651 ( 5.104 3.664 -0.722) 6.324 14.030 ( -6.215 3.636 3.486) 7.999 14.559 ( 2.674 -7.673 8.147) 11.506 14.904 ( 6.973 -5.857 -5.449) 10.612 15.048 ( -11.985 4.527 -8.622) 15.442 15.943 ( 7.994 -4.493 0.516) 9.185 16.682 ( -6.970 -2.600 -14.308) 16.126 17.233 ( -17.829 -6.849 1.763) 19.181 17.819 ( -17.051 -3.871 -6.424) 18.627 20.499 ( 0.573 -2.855 6.909) 7.498 21.330 ( 8.015 4.085 4.439) 10.031 21.967 ( 2.503 -2.271 0.218) 3.387 22.258 ( -3.769 -4.714 -9.825) 11.531 ======================= Grid point 393 (205/260) ======================= q-point: ( 0.40 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( -0.019 7.135 5.077) 8.757 2.489 ( -8.040 5.371 -1.322) 9.759 2.735 ( -1.350 8.930 -17.642) 19.820 2.944 ( -1.067 5.258 -12.298) 13.418 3.403 ( 12.248 -7.845 4.986) 15.376 3.737 ( 13.469 -8.009 3.842) 16.134 4.191 ( -13.483 -10.073 -1.535) 16.900 4.601 ( -14.968 -9.620 -4.727) 18.410 5.923 ( 7.920 2.299 9.057) 12.249 6.143 ( 8.211 5.267 8.001) 12.616 6.211 ( 7.787 2.907 6.049) 10.280 6.670 ( 0.695 -1.348 1.364) 2.040 7.052 ( -1.901 1.232 -1.962) 2.997 7.331 ( 6.790 3.103 -1.179) 7.558 7.662 ( -14.666 7.440 1.808) 16.544 7.804 ( -13.170 8.080 -3.058) 15.751 9.044 ( 16.654 5.761 5.072) 18.338 9.459 ( 10.618 8.946 -6.329) 15.259 9.805 ( -4.900 2.946 1.827) 6.003 10.191 ( -11.233 8.153 -7.939) 15.991 12.655 ( 3.595 9.327 10.899) 14.789 13.119 ( -3.132 10.524 13.716) 17.570 13.480 ( -2.872 10.583 -7.222) 13.130 13.712 ( -3.464 1.183 -1.750) 4.057 13.982 ( 4.584 2.921 2.128) 5.837 14.622 ( 2.816 -6.570 5.985) 9.322 14.835 ( -8.614 0.264 -5.136) 10.032 15.036 ( 5.205 -5.166 -7.676) 10.616 16.090 ( 5.342 -5.869 0.854) 7.982 16.592 ( -1.877 -3.270 -10.984) 11.613 16.911 ( -11.557 -4.273 -2.414) 12.556 17.465 ( -15.587 0.430 -4.763) 16.304 20.521 ( 1.219 -3.276 5.606) 6.606 21.478 ( 5.928 -0.649 6.018) 8.472 21.983 ( -0.893 -3.982 -4.380) 5.987 22.187 ( -2.351 -1.741 -8.730) 9.207 ======================= Grid point 394 (206/260) ======================= q-point: (-0.50 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( -6.149 6.792 1.899) 9.357 2.404 ( 1.621 6.231 1.020) 6.519 2.687 ( -1.708 10.705 -18.576) 21.507 2.958 ( 2.323 4.598 -15.147) 15.999 3.618 ( 1.069 -14.110 10.430) 17.579 3.865 ( -0.484 -11.252 7.407) 13.480 4.120 ( 8.739 -7.694 -4.999) 12.671 4.304 ( -10.067 -9.737 -7.057) 15.682 6.080 ( 5.573 3.844 8.486) 10.856 6.225 ( -0.995 2.583 6.351) 6.928 6.316 ( 1.218 0.809 4.560) 4.789 6.650 ( -2.595 3.619 5.324) 6.941 6.999 ( -1.664 4.215 0.135) 4.534 7.273 ( -8.571 3.098 6.021) 10.923 7.595 ( -4.120 5.256 -3.545) 7.561 7.688 ( 12.024 8.200 -6.339) 15.874 9.307 ( 1.483 4.431 1.867) 5.032 9.506 ( 1.717 2.718 7.505) 8.165 9.822 ( 0.661 7.759 -10.906) 13.400 9.980 ( -3.740 10.283 -7.227) 13.113 12.730 ( 2.638 14.517 16.305) 21.990 13.098 ( 1.421 6.231 10.580) 12.360 13.401 ( -5.893 9.501 -0.670) 11.200 13.615 ( -2.198 1.654 -5.551) 6.195 14.126 ( 6.806 3.845 -2.051) 8.081 14.632 ( -4.572 -2.350 -4.123) 6.589 14.702 ( -2.026 -4.290 4.981) 6.878 15.110 ( 2.299 -7.333 -4.098) 8.709 16.134 ( -0.684 -5.375 -0.319) 5.428 16.538 ( -4.834 -2.045 -4.690) 7.039 16.840 ( 4.897 -2.464 -9.774) 11.206 17.271 ( -0.974 1.781 -2.516) 3.233 20.543 ( 0.734 -2.464 4.504) 5.186 21.553 ( 0.653 -6.352 8.200) 10.393 21.947 ( -1.569 -2.229 -8.506) 8.932 22.171 ( 0.752 -0.128 -7.195) 7.235 ======================= Grid point 395 (207/260) ======================= q-point: (-0.40 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -4.533 10.268 8.912) 14.331 2.476 ( 3.739 3.856 -1.791) 5.662 2.705 ( 4.454 11.666 -14.400) 19.060 3.005 ( 1.175 4.873 -14.579) 15.416 3.410 ( -12.381 -9.580 4.978) 16.427 3.835 ( -11.495 -11.055 2.081) 16.083 4.184 ( 10.905 -8.299 -2.035) 13.854 4.465 ( 13.290 -8.647 1.197) 15.901 6.089 ( -5.619 7.667 7.234) 11.945 6.107 ( -10.011 2.251 3.388) 10.805 6.264 ( -3.641 -2.459 4.726) 6.453 6.597 ( -1.781 1.750 4.943) 5.537 6.978 ( -1.637 4.231 -1.159) 4.682 7.230 ( 3.397 1.402 6.166) 7.178 7.576 ( 3.848 5.119 -0.584) 6.430 8.000 ( 15.970 10.426 -7.429) 20.468 9.060 ( -18.220 4.248 4.781) 19.310 9.520 ( -10.758 10.492 -9.377) 17.713 9.823 ( 9.783 4.457 3.021) 11.166 10.101 ( 8.663 5.522 -7.308) 12.608 12.765 ( 1.079 13.101 14.665) 19.695 13.138 ( -0.767 10.529 20.260) 22.845 13.256 ( -5.403 0.653 -6.993) 8.861 13.671 ( 7.308 5.302 -7.161) 11.524 14.204 ( -0.199 1.574 -1.061) 1.909 14.496 ( -6.147 0.734 -3.629) 7.176 14.708 ( 1.424 -6.094 3.389) 7.117 15.154 ( 2.653 -8.015 -1.788) 8.630 16.114 ( -0.142 -0.906 -2.504) 2.667 16.388 ( -8.513 -1.759 -3.692) 9.445 17.057 ( 15.173 -2.405 -8.248) 17.437 17.422 ( 13.383 -0.583 -1.959) 13.538 20.551 ( -0.047 -0.470 3.809) 3.838 21.502 ( -5.107 -8.882 6.686) 12.234 21.936 ( 0.183 0.170 -5.547) 5.553 22.205 ( 2.425 -0.573 -7.935) 8.317 ======================= Grid point 396 (208/260) ======================= q-point: (-0.30 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 0.387 12.229 14.960) 19.326 2.538 ( 2.385 4.278 -0.722) 4.951 2.811 ( -2.049 9.541 0.290) 9.762 2.954 ( 1.734 1.243 -11.303) 11.502 3.317 ( 3.450 2.803 -8.787) 9.847 3.576 ( -10.961 -5.822 -2.999) 12.768 4.434 ( 10.917 -8.401 4.025) 14.352 4.684 ( 7.474 -4.719 5.753) 10.547 5.806 ( -16.813 9.361 6.990) 20.473 5.957 ( -7.324 5.909 7.557) 12.070 6.242 ( 2.316 -6.890 -0.785) 7.311 6.604 ( 2.795 -2.324 0.336) 3.650 6.942 ( -1.624 -1.050 -1.533) 2.468 7.255 ( -2.254 -1.014 -1.241) 2.766 7.753 ( 10.533 7.995 4.328) 13.914 8.297 ( 11.909 13.522 -5.595) 18.867 8.672 ( -17.335 6.656 5.634) 19.405 9.230 ( -15.268 13.080 -13.382) 24.152 10.047 ( 9.780 1.988 8.202) 12.918 10.267 ( 7.634 2.093 -8.816) 11.849 12.781 ( -0.627 8.048 10.173) 12.987 13.045 ( -4.144 7.328 12.923) 15.424 13.230 ( 0.459 4.366 -1.304) 4.580 13.856 ( 7.797 6.869 -0.517) 10.404 14.125 ( -4.635 -3.752 -0.909) 6.032 14.408 ( -3.254 3.167 3.802) 5.922 14.765 ( 3.915 -6.490 -6.033) 9.687 15.228 ( 4.619 -6.406 -2.608) 8.317 16.105 ( -2.825 0.340 -3.148) 4.243 16.286 ( 1.988 -0.312 -2.576) 3.269 17.410 ( 18.226 -3.579 -5.569) 19.390 17.730 ( 15.054 -3.165 -2.059) 15.521 20.545 ( -0.486 2.085 3.889) 4.440 21.378 ( -6.523 -6.980 4.113) 10.401 21.923 ( -1.929 0.519 -0.632) 2.095 22.261 ( 3.038 -1.551 -8.849) 9.484 ======================= Grid point 397 (209/260) ======================= q-point: (-0.20 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 3.697 11.490 15.765) 19.855 2.525 ( -6.480 4.837 11.242) 13.848 2.671 ( -2.158 4.645 -1.149) 5.249 3.106 ( 3.168 8.099 -10.616) 13.724 3.371 ( 3.673 4.233 -5.380) 7.768 3.558 ( 10.737 4.509 -9.314) 14.912 4.586 ( 3.173 -5.199 8.420) 10.392 4.782 ( 2.320 0.474 10.131) 10.404 5.462 ( -15.664 10.248 11.067) 21.745 5.815 ( -6.159 7.401 2.096) 9.854 6.374 ( 10.011 -10.423 -2.085) 14.602 6.692 ( 3.581 -4.412 -0.747) 5.732 6.925 ( 0.956 -4.986 -3.717) 6.292 7.168 ( -4.169 -3.349 -6.656) 8.539 7.805 ( -9.513 5.539 8.498) 13.907 8.400 ( 2.030 18.125 -1.061) 18.269 8.529 ( -0.112 7.150 -4.756) 8.588 8.951 ( -8.777 17.223 -9.604) 21.585 10.195 ( 4.324 -0.444 10.289) 11.169 10.415 ( 6.930 -0.867 -9.880) 12.099 12.719 ( -4.343 4.864 6.080) 8.915 13.027 ( -0.108 2.491 11.474) 11.742 13.281 ( 6.052 6.615 -2.438) 9.292 13.853 ( -5.529 8.048 0.321) 9.769 14.159 ( 5.198 -5.778 3.623) 8.575 14.333 ( -4.023 2.705 7.133) 8.625 14.826 ( 0.986 -6.721 -8.532) 10.906 15.329 ( 4.293 -3.412 -6.941) 8.846 16.076 ( 3.259 -2.661 -2.210) 4.753 16.437 ( 10.423 4.269 -2.821) 11.611 17.755 ( 14.328 -6.283 -2.455) 15.836 17.998 ( 10.658 -4.966 -3.623) 12.303 20.539 ( 0.059 4.173 5.102) 6.591 21.247 ( -6.238 -3.554 1.960) 7.442 21.850 ( -5.011 1.041 3.757) 6.349 22.319 ( 2.563 -2.839 -8.901) 9.688 ======================= Grid point 398 (210/260) ======================= q-point: (-0.10 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 4.453 8.778 12.916) 16.239 2.379 ( -5.223 7.234 15.727) 18.081 2.682 ( 1.028 6.791 -3.615) 7.762 3.038 ( -5.127 8.464 -6.705) 11.953 3.560 ( 9.747 7.923 -4.281) 13.271 3.852 ( 15.812 10.280 -10.487) 21.580 4.565 ( -4.771 -1.618 12.902) 13.851 4.779 ( -2.585 5.987 18.923) 20.015 5.232 ( -5.498 5.643 8.050) 11.263 5.718 ( -3.271 7.404 -5.302) 9.676 6.590 ( 6.092 -10.685 5.109) 13.319 6.661 ( -2.674 -3.788 -2.317) 5.183 6.943 ( -0.053 -7.970 2.548) 8.368 7.248 ( 12.644 -1.211 -15.038) 19.684 7.488 ( -16.506 1.386 4.667) 17.209 8.298 ( -14.269 2.526 -13.028) 19.487 8.566 ( 6.239 23.128 -2.517) 24.087 8.929 ( 3.164 21.096 -0.826) 21.347 10.237 ( -0.072 -3.468 10.033) 10.616 10.533 ( 4.324 -2.716 -8.399) 9.830 12.657 ( -1.170 0.827 2.575) 2.947 12.990 ( -3.101 3.870 12.796) 13.724 13.480 ( 11.729 6.172 -6.612) 14.812 13.748 ( -4.054 8.694 0.420) 9.602 14.173 ( -4.124 -7.114 7.585) 11.187 14.317 ( 2.870 1.263 1.893) 3.663 14.783 ( -4.650 -8.946 -4.149) 10.902 15.377 ( 1.133 -2.826 -7.418) 8.019 16.238 ( 8.835 3.800 -0.498) 9.631 16.664 ( 11.550 3.799 -8.059) 14.587 17.960 ( 5.310 -10.017 2.470) 11.604 18.162 ( 5.524 -6.477 -7.437) 11.303 20.554 ( 1.294 4.190 6.915) 8.189 21.125 ( -5.534 1.246 -0.055) 5.673 21.740 ( -4.913 1.405 8.677) 10.070 22.360 ( 1.500 -4.203 -8.737) 9.811 ======================= Grid point 399 (211/260) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 3.557 2.866 9.601) 10.633 2.422 ( -0.141 1.508 16.037) 16.109 2.883 ( 0.716 9.300 -4.951) 10.560 3.119 ( -2.248 6.657 -3.434) 7.821 3.892 ( -0.026 12.865 2.693) 13.144 4.303 ( -4.518 12.542 -11.807) 17.808 4.505 ( 5.483 -1.324 14.839) 15.875 4.957 ( 7.617 10.511 17.876) 22.092 5.253 ( -4.190 4.643 0.481) 6.273 5.774 ( -3.308 3.439 -8.533) 9.776 6.361 ( -1.477 -8.242 5.439) 9.985 6.549 ( 2.456 -12.799 -2.759) 13.322 6.855 ( -5.086 -0.387 8.081) 9.557 7.157 ( -6.371 -1.436 2.014) 6.834 7.678 ( 22.811 2.059 -19.537) 30.104 7.980 ( -12.758 -1.982 -9.058) 15.771 9.133 ( 2.778 22.103 0.330) 22.279 9.429 ( -1.178 24.566 -1.018) 24.616 10.078 ( -3.581 -8.056 11.733) 14.676 10.487 ( 1.875 -7.368 -7.446) 10.642 12.608 ( -0.127 -1.551 -0.524) 1.642 13.132 ( 1.412 9.241 14.415) 17.181 13.705 ( -1.299 1.821 4.079) 4.652 13.932 ( 9.414 5.566 -11.147) 15.616 13.962 ( -4.872 -2.311 7.281) 9.060 14.359 ( -0.178 -1.010 -5.000) 5.104 14.487 ( -3.890 -7.945 3.137) 9.386 15.296 ( 0.824 -6.128 -10.058) 11.807 16.534 ( -2.641 13.752 3.374) 14.404 16.944 ( 9.420 3.015 -14.090) 17.215 17.749 ( -0.756 -13.617 2.937) 13.950 18.006 ( -3.899 -10.817 -7.610) 13.788 20.598 ( -2.712 0.870 7.129) 7.677 21.224 ( 2.495 11.096 5.012) 12.429 21.713 ( -0.129 1.518 8.348) 8.486 22.243 ( -1.013 -8.227 -9.110) 12.317 ======================= Grid point 400 (212/260) ======================= q-point: ( 0.10 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 1.339 1.350 12.676) 12.818 2.465 ( 4.180 2.430 8.711) 9.963 2.887 ( 0.010 7.600 -5.590) 9.434 3.073 ( -2.408 8.078 1.654) 8.590 3.764 ( -10.784 11.880 -0.720) 16.061 4.047 ( -15.658 12.444 -4.899) 20.592 4.592 ( -0.308 -3.608 5.274) 6.398 5.110 ( -2.136 2.674 2.488) 4.232 5.278 ( 12.251 6.210 10.625) 17.365 5.735 ( 1.595 2.545 -1.761) 3.482 6.348 ( -4.538 -1.510 2.922) 5.605 6.557 ( -2.476 -5.617 1.788) 6.394 6.720 ( 2.718 -5.994 2.490) 7.037 7.091 ( -5.745 -3.979 -7.618) 10.338 7.933 ( 9.642 -1.429 3.958) 10.521 8.148 ( 20.204 3.816 -18.626) 27.743 9.083 ( -7.764 18.863 2.008) 20.497 9.326 ( -7.152 22.614 -3.927) 24.041 10.035 ( -1.061 -6.262 11.260) 12.928 10.519 ( 1.262 -4.150 -6.354) 7.694 12.626 ( 1.375 -1.003 -0.514) 1.778 13.185 ( 3.695 7.845 11.572) 14.460 13.638 ( -3.133 5.652 2.742) 7.020 13.857 ( -5.589 -1.751 5.760) 8.215 14.124 ( 6.614 5.193 -10.078) 13.126 14.350 ( 1.708 -5.983 -4.092) 7.448 14.510 ( 4.230 -5.524 3.398) 7.742 15.339 ( 3.495 -6.300 -6.133) 9.461 16.260 ( -20.261 14.750 -0.434) 25.065 17.017 ( -3.813 1.063 -15.321) 15.824 17.663 ( -8.840 -9.364 4.393) 13.606 17.963 ( 0.505 -13.814 -6.365) 15.219 20.530 ( -3.681 -0.920 10.074) 10.765 21.281 ( 3.117 13.613 2.731) 14.230 21.769 ( 4.719 0.684 7.221) 8.653 22.216 ( -1.409 -9.478 -8.912) 13.085 ======================= Grid point 401 (213/260) ======================= q-point: ( 0.20 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( 0.347 2.952 8.604) 9.102 2.565 ( 5.400 0.534 6.314) 8.325 2.887 ( -0.334 6.164 2.753) 6.759 3.020 ( -2.248 7.663 1.352) 8.100 3.531 ( -10.344 7.815 -6.610) 14.552 3.730 ( -14.194 11.593 -6.568) 19.468 4.482 ( -9.760 -9.567 -1.051) 13.707 4.951 ( -11.308 -8.154 -5.805) 15.101 5.581 ( 14.380 5.877 15.679) 22.071 5.868 ( 9.855 7.333 5.173) 13.329 6.182 ( -6.926 2.601 1.667) 7.584 6.547 ( -0.210 -2.428 -0.774) 2.557 6.876 ( 9.234 -4.497 -1.508) 10.381 7.018 ( 1.300 -6.507 -4.860) 8.225 8.199 ( 11.838 1.292 8.202) 14.460 8.413 ( 2.320 7.362 -11.765) 14.071 8.855 ( -11.064 11.432 7.494) 17.586 9.249 ( 2.646 19.079 -12.757) 23.103 10.011 ( -1.949 -2.062 9.593) 10.004 10.527 ( -0.792 -0.077 -6.138) 6.189 12.651 ( 1.241 1.308 0.760) 1.957 13.285 ( 5.504 4.280 8.504) 10.997 13.605 ( -0.457 6.604 3.234) 7.367 13.754 ( -3.589 2.435 2.263) 4.892 14.204 ( 2.467 4.301 -5.610) 7.487 14.392 ( 0.446 -4.228 3.212) 5.329 14.626 ( 6.629 -7.023 -0.791) 9.690 15.390 ( -1.952 1.045 -7.095) 7.433 15.861 ( -13.273 5.229 1.233) 14.319 16.835 ( -11.363 -2.165 -15.447) 19.298 17.417 ( -14.523 -8.347 5.411) 17.603 17.935 ( -4.815 -8.047 -8.881) 12.916 20.467 ( -2.357 -1.876 11.817) 12.195 21.355 ( 3.969 11.208 2.837) 12.224 21.868 ( 3.985 -0.682 2.221) 4.613 22.184 ( -1.541 -8.635 -8.566) 12.261 ======================= Grid point 402 (214/260) ======================= q-point: ( 0.30 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( -1.090 6.242 6.956) 9.410 2.666 ( 2.896 1.385 2.252) 3.922 2.846 ( -2.602 6.397 9.810) 11.997 3.030 ( 3.104 2.304 -6.688) 7.725 3.341 ( -8.815 4.168 -5.306) 11.101 3.531 ( -3.015 5.033 -8.931) 10.686 4.228 ( -14.009 -13.938 -3.731) 20.111 4.676 ( -14.939 -13.101 -7.508) 21.241 5.835 ( 9.549 5.507 12.809) 16.898 6.055 ( 7.744 4.888 4.296) 10.116 6.165 ( 5.322 5.059 5.455) 9.147 6.582 ( 4.453 0.663 0.054) 4.503 7.005 ( 3.587 -4.557 -2.557) 6.339 7.159 ( 10.365 -1.336 -2.201) 10.680 8.176 ( -16.897 7.189 5.699) 19.227 8.251 ( -12.174 6.123 -4.921) 14.488 8.856 ( 11.370 7.142 10.693) 17.164 9.430 ( 12.273 12.751 -15.420) 23.473 9.949 ( -4.142 0.954 7.506) 8.626 10.472 ( -4.576 3.342 -7.846) 9.678 12.696 ( 3.546 3.832 3.206) 6.127 13.374 ( 1.724 6.117 9.599) 11.512 13.589 ( -0.937 2.464 5.042) 5.690 13.755 ( 3.702 6.331 -5.191) 8.985 14.195 ( -4.899 10.447 0.455) 11.547 14.398 ( 2.210 -7.755 8.820) 11.951 14.752 ( 4.777 -9.017 0.915) 10.245 15.180 ( -13.228 8.754 -12.273) 20.056 15.837 ( 6.218 -6.346 2.486) 9.226 16.621 ( -8.014 -3.491 -15.271) 17.597 17.098 ( -15.558 -6.358 3.016) 17.075 17.752 ( -12.248 -2.741 -9.519) 15.753 20.443 ( -0.188 -2.651 11.285) 11.594 21.431 ( 3.002 6.079 4.607) 8.197 21.916 ( 0.693 -3.000 -3.326) 4.533 22.156 ( -0.850 -5.233 -7.851) 9.473 ======================= Grid point 403 (215/260) ======================= q-point: ( 0.40 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( -1.109 8.274 5.717) 10.118 2.624 ( -5.295 8.236 5.620) 11.289 2.868 ( 3.514 3.464 -8.611) 9.924 3.044 ( -3.314 4.009 -9.022) 10.414 3.263 ( 3.549 -4.876 2.387) 6.486 3.582 ( 5.881 -5.940 -0.812) 8.398 3.951 ( -11.194 -13.719 -7.398) 19.189 4.353 ( -15.863 -14.928 -9.032) 23.581 6.009 ( 8.543 5.867 8.707) 13.536 6.230 ( 8.295 2.735 7.411) 11.455 6.284 ( 4.258 4.201 6.768) 9.032 6.694 ( 4.605 3.502 2.659) 6.367 7.054 ( 1.476 -1.087 -0.651) 1.945 7.371 ( 8.776 1.206 -3.447) 9.505 7.795 ( -15.725 5.735 3.832) 17.171 7.945 ( -15.371 5.917 -4.499) 17.074 9.156 ( 15.310 5.193 10.598) 19.331 9.624 ( 3.107 7.346 -2.301) 8.301 9.883 ( 0.391 4.490 -3.764) 5.872 10.339 ( -7.944 6.620 -10.799) 14.951 12.809 ( 7.365 6.035 6.620) 11.597 13.334 ( -4.892 10.074 11.949) 16.377 13.607 ( 2.415 1.847 -1.087) 3.229 13.793 ( -4.323 8.210 -1.638) 9.422 14.099 ( 0.503 7.660 6.669) 10.169 14.475 ( 3.930 -7.821 7.961) 11.832 14.768 ( -4.248 -7.117 4.122) 9.257 14.999 ( -3.343 1.713 -13.565) 14.075 15.968 ( 5.262 -6.172 -1.005) 8.173 16.526 ( -1.173 -3.166 -12.338) 12.791 16.834 ( -8.732 -3.289 -2.976) 9.793 17.477 ( -12.819 0.697 -8.292) 15.283 20.458 ( 1.364 -2.917 9.316) 9.857 21.465 ( -0.120 -0.651 7.888) 7.915 21.911 ( -0.454 -3.132 -7.876) 8.488 22.149 ( 0.204 -2.008 -7.406) 7.676 ======================= Grid point 404 (216/260) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( -3.089 10.017 5.870) 12.015 2.545 ( -1.073 8.029 4.587) 9.309 2.895 ( -0.604 9.502 -16.259) 18.842 3.036 ( 4.003 2.999 -9.871) 11.066 3.329 ( -2.263 -14.471 10.232) 17.867 3.638 ( 0.708 -9.901 5.319) 11.262 3.926 ( 8.591 -11.820 -12.608) 19.300 4.060 ( -9.905 -14.138 -9.468) 19.688 6.166 ( 4.608 4.468 7.945) 10.214 6.295 ( -2.290 4.198 8.442) 9.702 6.368 ( 2.839 3.568 3.882) 5.988 6.717 ( -2.128 2.778 6.880) 7.719 7.080 ( 1.346 3.746 -1.455) 4.238 7.326 ( -10.244 2.229 6.055) 12.107 7.668 ( -5.546 2.375 -4.696) 7.645 7.831 ( 12.842 5.921 -6.517) 15.570 9.380 ( -1.214 2.886 7.695) 8.308 9.586 ( 3.235 4.767 12.733) 13.975 9.961 ( 1.937 6.149 -15.447) 16.738 10.181 ( -4.517 9.489 -11.910) 15.884 12.970 ( 6.222 7.879 9.524) 13.838 13.238 ( -2.851 9.226 7.615) 12.297 13.578 ( -9.660 6.228 12.018) 16.629 13.696 ( 2.552 8.052 -5.812) 10.253 14.193 ( 4.765 2.129 2.603) 5.832 14.528 ( 0.158 -6.639 9.996) 12.001 14.648 ( -4.907 -2.568 -2.493) 6.074 14.967 ( -0.863 -6.390 -3.494) 7.334 16.047 ( 3.088 -3.313 -7.005) 8.341 16.498 ( -3.956 -1.853 -6.839) 8.115 16.793 ( 5.403 -2.123 -10.212) 11.747 17.305 ( -1.838 1.554 -5.654) 6.145 20.496 ( 2.135 -2.122 7.053) 7.668 21.426 ( -3.557 -6.076 10.441) 12.593 21.912 ( 0.707 -1.339 -9.143) 9.267 22.162 ( 1.176 -0.726 -7.786) 7.908 ======================= Grid point 405 (217/260) ======================= q-point: (-0.40 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( -3.046 11.509 9.113) 14.992 2.573 ( 2.839 6.204 3.833) 7.826 2.920 ( 3.462 7.761 -11.647) 14.418 3.075 ( -5.633 1.223 -1.657) 5.998 3.245 ( 3.079 -3.876 -2.448) 5.522 3.619 ( -6.530 -9.700 0.744) 11.717 3.982 ( 8.362 -12.130 -6.333) 16.036 4.227 ( 14.801 -14.621 -6.211) 21.712 6.123 ( -7.822 1.032 4.507) 9.086 6.218 ( -5.316 3.768 7.843) 10.196 6.334 ( -5.023 7.818 3.424) 9.903 6.656 ( -3.515 3.970 5.527) 7.659 7.037 ( -6.610 1.812 -0.915) 6.915 7.230 ( 0.945 -1.194 4.307) 4.568 7.667 ( 6.950 3.969 1.216) 8.096 8.182 ( 18.496 7.620 -8.854) 21.876 9.140 ( -16.341 3.615 11.006) 20.031 9.708 ( -3.323 7.953 -5.409) 10.176 9.912 ( 3.155 4.341 -1.509) 5.574 10.220 ( 4.961 6.244 -10.360) 13.074 12.991 ( -2.730 7.607 6.208) 10.191 13.213 ( -4.408 1.892 3.383) 5.870 13.441 ( -1.102 14.638 18.729) 23.796 13.796 ( 7.512 6.615 -4.696) 11.057 14.202 ( -4.331 -2.066 5.838) 7.557 14.495 ( -1.212 -1.860 2.462) 3.315 14.612 ( 0.055 -2.182 -1.493) 2.645 14.975 ( 2.263 -9.688 1.322) 10.036 16.115 ( 3.703 0.970 -8.716) 9.520 16.347 ( -8.931 -2.326 -7.181) 11.694 17.014 ( 14.912 -1.778 -9.480) 17.760 17.411 ( 10.562 -0.583 -4.562) 11.520 20.544 ( 2.289 -0.220 5.246) 5.728 21.339 ( -4.641 -7.285 11.255) 14.188 21.928 ( 0.654 -0.787 -7.409) 7.480 22.193 ( 1.883 -0.599 -8.528) 8.754 ======================= Grid point 406 (218/260) ======================= q-point: (-0.30 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( -0.983 9.403 10.506) 14.134 2.629 ( 1.174 3.903 6.595) 7.752 2.841 ( -8.066 -1.343 8.405) 11.726 3.114 ( 10.329 10.799 -9.612) 17.768 3.412 ( 7.319 4.706 -6.339) 10.766 3.473 ( -2.064 -1.477 -7.332) 7.759 4.227 ( 12.910 -12.488 0.604) 17.972 4.513 ( 12.405 -12.239 -3.370) 17.750 5.949 ( -9.014 3.290 3.931) 10.370 6.063 ( -8.277 4.566 9.870) 13.666 6.223 ( -4.797 6.126 1.232) 7.877 6.609 ( 0.093 2.413 1.000) 2.614 6.896 ( -6.469 -3.457 -1.530) 7.493 7.202 ( -4.350 -4.019 -3.030) 6.652 7.900 ( 11.332 6.431 6.974) 14.779 8.525 ( 13.524 9.080 -7.720) 18.026 8.805 ( -14.117 6.395 11.855) 19.512 9.489 ( -12.436 12.443 -17.167) 24.580 10.075 ( 7.866 0.619 10.013) 12.748 10.311 ( 3.857 2.337 -9.596) 10.602 12.916 ( -5.235 3.602 1.627) 6.559 13.091 ( -4.065 1.892 6.958) 8.278 13.443 ( -0.498 14.077 11.180) 17.983 13.966 ( 4.856 -1.321 2.761) 5.740 14.095 ( -2.727 5.787 7.619) 9.949 14.470 ( -2.356 2.541 4.140) 5.399 14.647 ( 3.906 -4.691 -9.666) 11.433 15.065 ( 6.573 -9.979 0.555) 11.962 16.076 ( -7.745 -2.509 -0.648) 8.167 16.318 ( 7.984 2.688 -11.278) 14.077 17.350 ( 16.621 -2.338 -6.540) 18.014 17.661 ( 12.594 -3.567 -5.723) 14.286 20.589 ( 1.958 2.227 4.293) 5.218 21.253 ( -3.719 -5.384 11.172) 12.947 21.922 ( -1.386 -0.498 -4.498) 4.733 22.230 ( 1.760 -1.467 -9.175) 9.457 ======================= Grid point 407 (219/260) ======================= q-point: (-0.20 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 0.722 5.734 10.335) 11.841 2.555 ( -6.485 -1.533 14.696) 16.136 2.799 ( 2.270 8.644 1.820) 9.121 3.247 ( -1.958 4.163 -4.667) 6.553 3.474 ( 12.318 7.664 -3.951) 15.036 3.720 ( 16.218 11.725 -7.571) 21.397 4.449 ( 7.633 -8.960 4.620) 12.645 4.725 ( 8.372 -6.416 0.544) 10.562 5.702 ( -14.505 12.808 8.831) 21.271 5.939 ( -5.297 4.898 4.366) 8.433 6.210 ( 5.246 -4.933 1.636) 7.384 6.629 ( -1.915 -2.928 0.260) 3.508 6.821 ( 1.421 -4.894 -7.548) 9.107 7.090 ( -3.844 -4.398 -7.440) 9.459 7.903 ( -13.207 4.160 11.289) 17.865 8.615 ( -5.490 5.045 -8.756) 11.501 8.752 ( 8.354 13.414 6.132) 16.950 9.317 ( -1.597 18.746 -11.884) 22.253 10.180 ( 1.799 -1.214 11.116) 11.326 10.381 ( 3.287 -2.664 -9.456) 10.360 12.774 ( -7.383 0.750 0.371) 7.431 13.082 ( 1.560 3.318 11.132) 11.721 13.455 ( 2.909 10.254 2.176) 10.879 13.929 ( -3.686 -4.309 2.946) 6.390 14.120 ( 0.197 5.910 10.761) 12.279 14.402 ( -3.622 3.716 3.862) 6.469 14.709 ( 0.051 -4.955 -9.643) 10.842 15.233 ( 7.660 -6.073 -10.699) 14.492 16.007 ( 4.811 -3.713 6.301) 8.754 16.537 ( 12.028 5.170 -8.413) 15.563 17.636 ( 10.089 -5.406 -2.072) 11.632 17.893 ( 9.647 -5.395 -9.129) 14.336 20.622 ( 1.143 3.933 4.219) 5.880 21.196 ( -1.900 -1.426 10.459) 10.726 21.865 ( -4.091 0.446 -0.764) 4.186 22.256 ( 0.788 -3.350 -9.378) 9.990 ======================= Grid point 408 (220/260) ======================= q-point: (-0.10 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 2.433 3.297 9.915) 10.729 2.453 ( -3.336 0.896 17.098) 17.443 2.852 ( 2.270 9.370 -2.110) 9.870 3.176 ( -3.349 5.165 -5.504) 8.258 3.756 ( 12.054 11.436 1.511) 16.684 4.081 ( 18.088 12.591 -6.661) 23.023 4.520 ( -0.850 -3.325 9.196) 9.816 4.859 ( 4.550 0.892 7.785) 9.061 5.415 ( -12.096 13.095 7.232) 19.238 5.841 ( -3.687 5.177 -3.652) 7.330 6.376 ( 6.021 -10.611 6.325) 13.742 6.531 ( -3.954 -9.813 -1.953) 10.758 6.827 ( -0.178 -3.405 -3.036) 4.566 7.230 ( 16.369 -0.681 -14.539) 21.904 7.518 ( -20.305 1.499 9.965) 22.667 8.337 ( -18.381 1.565 -13.710) 22.984 8.984 ( 10.991 18.571 3.384) 21.844 9.379 ( 4.793 23.581 -3.763) 24.356 10.158 ( -3.454 -4.375 10.983) 12.317 10.442 ( 2.717 -6.880 -8.446) 11.227 12.650 ( -4.210 -0.565 0.007) 4.248 13.111 ( 0.807 6.528 15.081) 16.453 13.589 ( 9.317 4.692 -3.980) 11.166 13.873 ( -1.620 1.391 0.226) 2.147 14.067 ( -4.907 -0.196 10.696) 11.769 14.354 ( -0.656 2.066 -0.160) 2.173 14.626 ( -7.094 -6.915 -3.881) 10.639 15.297 ( 0.019 -4.819 -14.645) 15.417 16.304 ( 19.582 2.805 6.515) 20.827 16.762 ( 9.254 5.887 -8.430) 13.833 17.747 ( 1.498 -11.087 1.328) 11.267 18.029 ( 2.978 -6.550 -10.788) 12.967 20.631 ( -0.551 3.249 5.017) 6.003 21.185 ( 0.757 4.631 8.662) 9.851 21.769 ( -4.610 1.544 4.115) 6.369 22.259 ( -0.316 -5.867 -9.270) 10.975 ======================= Grid point 409 (221/260) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 3.203 0.540 12.524) 12.938 2.432 ( 0.227 0.026 15.491) 15.492 3.019 ( 0.121 3.895 -7.019) 8.029 3.202 ( -1.402 1.966 -4.684) 5.270 4.127 ( 0.060 9.656 8.646) 12.961 4.387 ( -0.955 -3.905 10.556) 11.296 4.549 ( 1.080 5.049 -7.193) 8.854 5.068 ( 12.726 1.187 6.463) 14.322 5.440 ( -11.507 11.698 1.387) 16.467 5.784 ( -5.641 -2.955 -1.420) 6.524 6.210 ( 2.853 -5.357 3.247) 6.884 6.333 ( 4.239 -6.938 -4.003) 9.062 6.860 ( -4.404 0.328 2.437) 5.044 7.142 ( -7.627 -0.301 6.953) 10.325 7.708 ( 24.789 0.875 -18.670) 31.046 7.952 ( -15.304 -0.762 -8.544) 17.544 9.497 ( 5.627 13.821 5.568) 15.927 9.857 ( -4.779 12.021 0.266) 12.939 9.913 ( -5.724 -2.403 7.279) 9.566 10.293 ( 4.826 -11.649 -6.831) 14.340 12.597 ( -0.502 0.031 -2.837) 2.881 13.276 ( 3.050 4.616 14.330) 15.360 13.654 ( -0.282 -3.745 13.797) 14.300 13.952 ( -2.765 1.517 -6.034) 6.809 14.047 ( 6.231 2.840 -7.250) 9.973 14.344 ( -5.085 -0.336 1.611) 5.345 14.385 ( -0.972 -2.500 2.922) 3.966 15.197 ( 0.099 -3.112 -15.453) 15.763 16.748 ( 4.869 6.325 0.750) 8.017 17.028 ( 5.924 5.291 -8.757) 11.823 17.490 ( 0.083 -10.654 1.302) 10.734 17.849 ( -8.193 -4.430 -8.392) 12.537 20.611 ( -4.089 0.408 6.717) 7.874 21.409 ( 6.580 6.034 13.796) 16.433 21.757 ( 0.064 2.764 1.902) 3.355 22.081 ( -3.762 -6.800 -10.442) 13.017 ======================= Grid point 410 (222/260) ======================= q-point: ( 0.10 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 1.503 -0.042 15.022) 15.097 2.492 ( 3.508 0.519 8.525) 9.233 2.993 ( -1.961 2.945 -8.371) 9.088 3.181 ( -0.977 2.735 0.551) 2.956 3.991 ( -11.637 9.635 8.198) 17.189 4.211 ( -13.984 2.409 2.033) 14.335 4.521 ( -5.723 -2.185 -6.707) 9.084 5.101 ( -12.826 -1.574 -8.767) 15.616 5.403 ( 10.421 4.099 14.920) 18.655 5.797 ( 8.077 3.333 6.158) 10.689 6.285 ( 0.632 -4.333 2.109) 4.860 6.465 ( 5.825 -1.971 -3.467) 7.059 6.658 ( -2.872 -1.270 0.945) 3.279 7.037 ( -9.521 -1.406 -6.303) 11.504 7.909 ( 11.166 -0.760 6.252) 12.820 8.204 ( 22.109 1.619 -18.489) 28.866 9.376 ( -15.606 9.689 9.028) 20.468 9.680 ( -8.971 10.726 -8.466) 16.346 9.920 ( 3.215 -4.014 10.455) 11.651 10.419 ( 6.153 -4.666 -5.401) 9.423 12.617 ( 2.132 -0.116 -3.190) 3.838 13.312 ( 0.410 4.260 11.013) 11.816 13.662 ( 1.107 -1.818 11.005) 11.209 13.852 ( -3.910 1.186 3.736) 5.536 14.208 ( 3.224 1.036 -8.403) 9.060 14.291 ( 3.739 1.538 -5.241) 6.619 14.421 ( 3.090 -3.737 2.800) 5.599 15.241 ( 4.810 -3.003 -9.059) 10.687 16.508 ( -22.438 8.685 -4.923) 24.558 17.017 ( -7.855 -0.942 -10.139) 12.860 17.519 ( -6.513 -4.413 5.795) 9.771 17.749 ( 4.195 -6.524 -8.420) 11.448 20.519 ( -4.636 -0.236 10.989) 11.930 21.517 ( 3.591 8.313 8.997) 12.765 21.809 ( 4.084 4.270 1.739) 6.159 22.011 ( -2.328 -10.516 -9.947) 14.661 ======================= Grid point 411 (223/260) ======================= q-point: ( 0.20 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( 2.541 0.652 11.890) 12.175 2.562 ( 3.454 -0.401 5.259) 6.305 2.962 ( -0.565 1.789 -4.721) 5.080 3.143 ( -3.013 3.558 5.073) 6.890 3.711 ( -14.628 9.764 5.049) 18.298 3.903 ( -14.572 2.875 -2.628) 15.083 4.301 ( -14.218 -6.019 -11.944) 19.520 4.783 ( -16.740 -6.756 -11.367) 21.332 5.665 ( 13.845 2.433 17.762) 22.651 6.021 ( 10.492 6.416 7.253) 14.277 6.186 ( -5.822 -1.851 0.493) 6.130 6.557 ( 4.385 2.535 0.083) 5.066 6.780 ( 5.716 -4.660 -3.214) 8.045 6.925 ( 4.975 -2.395 -6.437) 8.481 8.214 ( 14.010 0.327 9.564) 16.966 8.513 ( 4.446 2.644 -11.993) 13.062 9.021 ( -15.176 4.722 12.364) 20.136 9.535 ( -2.457 8.566 -16.394) 18.659 9.975 ( 1.138 -1.346 10.465) 10.613 10.511 ( 2.553 -0.923 -5.811) 6.414 12.670 ( 3.067 0.550 -2.736) 4.147 13.328 ( 1.661 0.572 8.597) 8.775 13.697 ( 1.934 2.899 6.197) 7.110 13.810 ( -0.531 1.720 5.693) 5.971 14.227 ( 1.135 0.479 7.206) 7.311 14.393 ( 2.871 1.287 -14.062) 14.410 14.497 ( 4.260 -4.782 3.314) 7.211 15.390 ( 8.878 -0.374 -8.603) 12.368 15.978 ( -26.381 4.762 -0.916) 26.823 16.782 ( -12.588 -2.360 -13.729) 18.775 17.290 ( -13.442 -3.778 8.145) 16.165 17.824 ( -0.295 -2.959 -11.346) 11.729 20.440 ( -3.030 -0.742 13.806) 14.154 21.565 ( 0.844 8.382 7.807) 11.485 21.857 ( 0.027 -0.456 -7.763) 7.777 22.015 ( 2.871 -6.994 -4.338) 8.716 ======================= Grid point 412 (224/260) ======================= q-point: ( 0.30 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 2.264 3.364 8.914) 9.793 2.646 ( 4.771 -2.386 3.261) 6.252 2.962 ( -0.637 3.510 3.331) 4.881 3.064 ( -3.581 1.307 4.667) 6.025 3.433 ( -11.874 6.188 2.061) 13.547 3.652 ( -9.123 2.282 -9.204) 13.159 3.990 ( -14.730 -6.667 -13.826) 21.274 4.426 ( -17.582 -9.838 -12.186) 23.546 5.940 ( 11.334 3.977 14.483) 18.816 6.102 ( 2.339 0.205 1.189) 2.632 6.228 ( 6.641 1.419 6.526) 9.419 6.670 ( 6.848 6.835 2.883) 10.096 6.880 ( 5.722 -7.141 -1.557) 9.282 7.148 ( 12.530 -0.110 -6.061) 13.919 8.269 ( -15.603 2.324 9.930) 18.640 8.335 ( -12.467 2.288 -7.016) 14.487 8.960 ( 9.041 2.937 13.355) 16.392 9.617 ( 8.601 5.450 -18.605) 21.209 9.962 ( -2.188 0.295 8.713) 8.989 10.515 ( -2.026 1.085 -8.639) 8.939 12.750 ( 5.060 1.526 -0.285) 5.293 13.387 ( 3.532 -1.445 8.073) 8.929 13.717 ( -1.136 7.171 13.546) 15.369 13.840 ( 4.154 1.052 -6.685) 7.940 14.261 ( 1.183 -2.115 9.637) 9.937 14.379 ( -3.281 3.861 -1.985) 5.442 14.590 ( 4.082 -5.900 3.495) 7.981 15.365 ( -17.248 8.334 -15.130) 24.411 15.703 ( 6.149 -6.318 5.592) 10.440 16.561 ( -7.751 -2.031 -15.766) 17.685 17.007 ( -13.304 -2.559 4.723) 14.347 17.717 ( -9.237 -0.845 -12.076) 15.227 20.405 ( -0.627 -1.072 13.750) 13.806 21.545 ( -2.992 4.392 8.998) 10.450 21.852 ( 0.326 -2.920 -12.036) 12.389 22.078 ( 2.604 -2.241 -4.182) 5.412 ======================= Grid point 413 (225/260) ======================= q-point: ( 0.40 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 1.331 6.850 8.159) 10.736 2.738 ( 2.104 -0.552 4.315) 4.833 2.902 ( -1.985 4.681 8.559) 9.955 3.045 ( -0.250 -4.648 -2.418) 5.245 3.244 ( -5.976 2.340 0.173) 6.420 3.548 ( -0.856 -0.528 -11.383) 11.427 3.736 ( -8.684 -4.421 -14.868) 17.777 4.074 ( -15.936 -11.196 -11.959) 22.855 6.115 ( 7.599 3.861 6.327) 10.615 6.250 ( 9.171 -0.228 10.003) 13.573 6.343 ( 3.937 1.573 6.892) 8.092 6.776 ( 1.825 3.555 4.483) 6.005 7.017 ( 7.410 -2.004 -1.636) 7.848 7.385 ( 9.348 0.379 -5.186) 10.697 7.873 ( -16.469 2.069 5.086) 17.360 8.024 ( -16.721 2.064 -5.033) 17.583 9.230 ( 14.079 2.039 13.468) 19.590 9.726 ( -1.719 2.783 3.318) 4.659 9.954 ( 4.056 2.161 -10.287) 11.267 10.433 ( -5.470 2.636 -12.504) 13.901 12.886 ( 7.955 1.875 2.530) 8.556 13.444 ( 1.140 1.425 9.676) 9.846 13.673 ( -2.470 4.328 12.485) 13.443 13.933 ( 2.151 4.554 -11.612) 12.657 14.198 ( -4.965 0.789 9.236) 10.515 14.367 ( 2.316 -1.747 11.318) 11.683 14.635 ( -0.325 -4.648 6.007) 7.603 15.046 ( -11.282 1.927 -8.908) 14.503 15.871 ( 7.569 -3.040 -5.637) 9.915 16.480 ( -0.161 -1.357 -13.016) 13.088 16.790 ( -6.905 -1.144 -2.648) 7.484 17.488 ( -11.327 0.367 -10.879) 15.709 20.417 ( 1.507 -1.151 11.514) 11.669 21.455 ( -5.527 -0.326 10.241) 11.642 21.869 ( 1.300 -1.122 -11.332) 11.462 22.118 ( 1.596 -0.907 -6.289) 6.551 ======================= Grid point 414 (226/260) ======================= q-point: (-0.50 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( -1.437 8.705 8.956) 12.572 2.702 ( -2.099 7.018 6.945) 10.094 2.943 ( 2.058 -3.884 1.575) 4.669 3.017 ( -1.601 -8.148 5.476) 9.947 3.209 ( 3.220 5.793 -10.134) 12.109 3.543 ( -0.821 -0.611 -5.369) 5.466 3.702 ( 4.017 -8.398 -16.645) 19.072 3.810 ( -6.265 -9.568 -11.040) 15.896 6.233 ( 1.337 1.918 7.412) 7.772 6.365 ( -1.724 2.288 9.251) 9.684 6.423 ( 6.125 1.618 4.581) 7.818 6.750 ( -2.575 0.707 7.962) 8.398 7.134 ( 2.648 1.553 -3.391) 4.574 7.357 ( -10.607 0.844 5.565) 12.008 7.694 ( -6.712 0.556 -4.698) 8.211 7.910 ( 13.167 2.058 -6.684) 14.909 9.419 ( -2.246 1.044 10.683) 10.966 9.660 ( 3.172 2.185 16.475) 16.919 10.047 ( 1.663 2.357 -18.672) 18.893 10.319 ( -3.772 3.906 -14.471) 15.456 13.036 ( 4.623 0.648 1.960) 5.063 13.438 ( -1.905 8.703 10.961) 14.125 13.617 ( -2.405 -1.236 13.550) 13.817 13.884 ( -2.346 8.108 -4.244) 9.447 14.184 ( -0.243 -2.660 5.643) 6.243 14.430 ( 3.470 -2.484 12.205) 12.929 14.587 ( -2.942 -2.646 4.648) 6.104 14.887 ( -5.018 -1.802 -3.475) 6.364 16.007 ( 6.370 -0.923 -13.642) 15.084 16.472 ( -3.659 -0.705 -8.017) 8.841 16.764 ( 5.610 -0.796 -9.842) 11.356 17.327 ( -2.386 0.618 -8.055) 8.423 20.467 ( 3.111 -0.815 8.565) 9.149 21.338 ( -5.703 -2.536 12.173) 13.680 21.895 ( 1.278 -0.439 -9.790) 9.883 22.149 ( 1.675 -0.393 -7.988) 8.171 ======================= Grid point 415 (227/260) ======================= q-point: (-0.40 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( -4.963 7.025 7.847) 11.643 2.693 ( -1.146 3.808 7.202) 8.227 2.918 ( -2.494 -1.702 7.374) 7.968 3.049 ( 5.716 -4.635 3.369) 8.094 3.351 ( 7.640 11.034 -11.985) 17.993 3.511 ( -0.901 -1.755 -8.863) 9.080 3.736 ( 6.946 -11.493 -2.354) 13.633 3.970 ( 13.902 -9.037 -16.569) 23.440 6.140 ( -8.944 0.491 4.688) 10.110 6.280 ( -6.161 2.116 10.449) 12.313 6.448 ( -2.645 2.913 1.707) 4.289 6.732 ( -1.172 2.910 4.774) 5.713 7.056 ( -10.777 0.324 2.775) 11.133 7.198 ( -2.774 -1.441 -0.980) 3.276 7.722 ( 9.688 1.511 2.943) 10.238 8.284 ( 20.028 2.665 -9.522) 22.336 9.190 ( -15.249 1.362 14.573) 21.137 9.812 ( 3.322 2.603 2.327) 4.819 9.977 ( -2.941 1.950 -8.846) 9.524 10.318 ( 2.253 2.992 -12.732) 13.271 13.032 ( -3.974 -0.547 -2.591) 4.776 13.310 ( -8.734 4.751 12.707) 16.134 13.675 ( 3.735 6.732 9.725) 12.404 13.923 ( 5.624 7.608 2.971) 9.917 14.111 ( -3.767 -7.462 11.955) 14.587 14.463 ( -0.971 0.260 9.077) 9.133 14.601 ( 3.867 -0.719 -2.428) 4.622 14.818 ( -1.607 -4.944 -0.296) 5.207 16.141 ( 6.282 1.109 -13.667) 15.083 16.306 ( -9.925 -1.460 -9.186) 13.602 16.991 ( 15.137 -0.534 -9.573) 17.918 17.402 ( 8.407 -0.272 -6.669) 10.734 20.542 ( 3.940 -0.016 5.981) 7.162 21.237 ( -4.139 -2.868 14.258) 15.121 21.914 ( 0.621 -0.475 -8.324) 8.361 22.184 ( 1.719 -0.245 -8.957) 9.124 ======================= Grid point 416 (228/260) ======================= q-point: (-0.30 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( -4.397 4.277 8.467) 10.456 2.615 ( -5.566 -3.250 10.146) 12.020 2.908 ( 1.086 5.313 4.547) 7.077 3.241 ( 10.459 1.272 9.684) 14.311 3.379 ( 0.858 -0.581 -14.120) 14.158 3.677 ( 13.794 14.927 -4.930) 20.914 3.967 ( 13.807 -13.944 -0.349) 19.627 4.273 ( 15.250 -9.247 -15.654) 23.730 5.968 ( -5.862 0.052 5.035) 7.727 6.130 ( -8.498 2.045 12.645) 15.372 6.372 ( -4.957 5.559 -2.440) 7.837 6.673 ( -3.187 3.276 1.014) 4.681 6.822 ( -10.457 -3.409 2.320) 11.241 7.125 ( -5.259 -2.915 -6.553) 8.893 7.988 ( 11.355 2.369 8.270) 14.246 8.641 ( 12.108 2.913 -7.608) 14.594 8.898 ( -10.006 2.640 14.866) 18.113 9.674 ( -8.965 5.527 -20.853) 23.362 10.073 ( 6.134 -0.452 12.298) 13.751 10.349 ( 0.469 1.211 -10.054) 10.138 12.916 ( -6.770 -1.202 -6.033) 9.148 13.170 ( -4.320 3.601 14.471) 15.525 13.675 ( -2.426 7.757 -0.184) 8.129 13.883 ( -5.751 -3.753 12.797) 14.524 14.249 ( 7.586 5.986 19.785) 22.019 14.450 ( 0.633 -3.455 1.826) 3.959 14.664 ( 2.482 6.506 -9.063) 11.429 14.857 ( 7.088 -10.680 -2.516) 13.062 16.036 ( -10.251 -1.226 -0.965) 10.369 16.360 ( 10.882 1.221 -14.940) 18.523 17.323 ( 15.797 -0.486 -6.486) 17.083 17.605 ( 10.418 -1.779 -8.635) 13.648 20.622 ( 3.582 0.989 4.034) 5.484 21.180 ( -1.482 -1.964 15.948) 16.137 21.911 ( -0.970 -0.456 -6.548) 6.635 22.210 ( 0.718 -0.569 -9.488) 9.532 ======================= Grid point 417 (229/260) ======================= q-point: (-0.20 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( -1.795 1.772 10.637) 10.932 2.511 ( -4.334 -1.910 14.156) 14.927 2.945 ( 2.211 4.547 -0.607) 5.092 3.282 ( -1.824 0.543 -5.330) 5.659 3.623 ( 17.353 5.478 5.056) 18.886 3.983 ( 15.232 13.525 1.470) 20.423 4.251 ( 12.981 -10.553 -1.103) 16.766 4.570 ( 13.478 -6.983 -11.895) 19.285 5.891 ( -6.624 5.255 9.588) 12.783 5.983 ( -2.078 -0.030 9.498) 9.722 6.225 ( -7.797 4.876 -0.801) 9.231 6.536 ( -10.473 -5.715 1.562) 12.032 6.773 ( 4.310 -0.282 -8.294) 9.351 7.015 ( -1.878 -2.623 -9.946) 10.455 7.959 ( -15.085 1.507 12.884) 19.895 8.679 ( -7.461 1.638 -9.280) 12.020 8.939 ( 11.455 5.071 10.328) 16.236 9.614 ( 4.905 9.631 -16.012) 19.318 10.148 ( 0.547 -1.659 11.751) 11.880 10.327 ( -2.366 -2.023 -7.905) 8.496 12.769 ( -6.951 -0.521 -4.996) 8.576 13.142 ( 1.040 2.078 14.261) 14.449 13.633 ( -0.670 6.694 -0.293) 6.734 13.809 ( -1.356 -5.362 8.186) 9.880 14.256 ( -4.189 5.167 15.747) 17.095 14.438 ( -2.532 -0.600 2.054) 3.315 14.663 ( -3.728 0.364 -3.529) 5.146 15.120 ( 12.829 -4.286 -21.458) 25.365 15.952 ( 6.370 -1.564 10.849) 12.678 16.613 ( 13.280 2.207 -10.096) 16.827 17.561 ( 5.935 -2.016 -0.983) 6.345 17.810 ( 9.382 -2.512 -13.715) 16.806 20.677 ( 1.402 1.484 2.709) 3.393 21.187 ( 2.063 0.094 17.344) 17.466 21.869 ( -2.969 0.036 -4.058) 5.028 22.203 ( -1.265 -1.614 -9.798) 10.010 ======================= Grid point 418 (230/260) ======================= q-point: (-0.10 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 1.639 0.786 12.087) 12.223 2.449 ( -1.961 -0.522 16.466) 16.591 2.992 ( 2.186 3.970 -3.851) 5.947 3.240 ( -2.057 1.605 -7.465) 7.908 3.964 ( 14.120 8.060 9.419) 18.790 4.266 ( 11.114 3.348 7.795) 13.982 4.469 ( 7.661 0.307 -4.624) 8.954 4.818 ( 11.315 -3.421 -2.464) 12.075 5.686 ( -11.726 11.784 6.056) 17.693 5.918 ( -6.352 2.313 0.990) 6.833 6.187 ( 2.146 -8.097 6.883) 10.841 6.344 ( -6.341 -6.608 -1.598) 9.297 6.791 ( 1.794 -0.747 -7.551) 7.798 7.222 ( 18.636 -0.227 -14.549) 23.643 7.541 ( -22.042 0.684 13.347) 25.777 8.358 ( -20.459 0.572 -13.961) 24.775 9.252 ( 15.669 7.802 9.238) 19.792 9.783 ( 8.592 15.209 -7.819) 19.139 10.087 ( -6.773 -1.808 10.506) 12.630 10.270 ( -2.020 -9.506 -7.217) 12.105 12.648 ( -4.422 0.135 -3.260) 5.496 13.198 ( 3.716 2.157 14.835) 15.445 13.647 ( 1.036 1.126 8.890) 9.021 13.843 ( 5.133 -1.177 -7.793) 9.406 14.136 ( -7.135 3.402 10.686) 13.291 14.385 ( -1.980 0.797 0.291) 2.154 14.526 ( -8.578 -2.840 0.417) 9.045 15.216 ( -0.484 -2.635 -23.279) 23.433 16.342 ( 26.235 1.009 9.783) 28.018 16.867 ( 10.644 3.750 -6.475) 13.011 17.569 ( -4.009 -5.737 -0.095) 6.999 17.932 ( 1.373 -2.819 -13.508) 13.867 20.673 ( -1.808 1.074 3.419) 4.014 21.272 ( 5.758 3.067 17.182) 18.379 21.798 ( -3.366 1.192 -0.977) 3.702 22.155 ( -3.119 -3.658 -10.060) 11.150 ======================= Grid point 459 (231/260) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -0.000 0.000 0.000) 0.000 2.229 ( 0.000 0.000 -0.000) 0.000 2.472 ( 0.000 0.000 0.000) 0.000 2.571 ( -0.000 0.000 0.000) 0.000 3.411 ( -0.000 0.000 0.000) 0.000 3.599 ( 0.000 0.000 0.000) 0.000 4.762 ( 0.000 0.000 0.000) 0.000 4.989 ( 0.000 0.000 0.000) 0.000 5.205 ( 0.000 0.000 0.000) 0.000 5.398 ( 0.000 0.000 0.000) 0.000 6.642 ( -0.000 0.000 0.000) 0.000 7.002 ( -0.000 0.000 0.000) 0.000 7.125 ( 0.000 0.000 -0.000) 0.000 7.190 ( -0.000 0.000 0.000) 0.000 7.384 ( -0.000 0.000 0.000) 0.000 7.947 ( -0.000 0.000 0.000) 0.000 7.983 ( 0.000 0.000 0.000) 0.000 8.462 ( 0.000 0.000 0.000) 0.000 10.397 ( -0.000 0.000 0.000) 0.000 10.551 ( 0.000 0.000 0.000) 0.000 12.761 ( -0.000 0.000 -0.000) 0.000 12.841 ( 0.000 0.000 0.000) 0.000 13.415 ( 0.000 0.000 0.000) 0.000 13.485 ( -0.000 0.000 0.000) 0.000 14.352 ( 0.000 0.000 0.000) 0.000 14.372 ( -0.000 0.000 0.000) 0.000 15.034 ( 0.000 0.000 0.000) 0.000 15.491 ( -0.000 0.000 0.000) 0.000 15.943 ( 0.000 0.000 0.000) 0.000 16.693 ( -0.000 0.000 0.000) 0.000 18.282 ( 0.000 0.000 -0.000) 0.000 18.340 ( -0.000 0.000 0.000) 0.000 20.673 ( 0.000 0.000 0.000) 0.000 20.840 ( -0.000 0.000 0.000) 0.000 21.816 ( 0.000 0.000 0.000) 0.000 22.367 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 461 (232/260) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -0.709 0.000 -4.417) 4.474 2.333 ( 6.735 0.000 -9.178) 11.384 2.446 ( -0.689 0.000 5.482) 5.525 2.627 ( 4.494 0.000 4.916) 6.661 3.328 ( -7.360 0.000 1.785) 7.573 3.483 ( -8.672 0.000 1.000) 8.729 4.820 ( 2.454 0.000 -1.372) 2.811 5.004 ( 1.163 0.000 -11.192) 11.253 5.246 ( 5.892 0.000 9.495) 11.174 5.481 ( 7.753 0.000 -6.721) 10.261 6.581 ( -8.627 0.000 6.247) 10.651 6.843 ( -6.971 0.000 14.902) 16.452 7.112 ( 2.113 0.000 -6.440) 6.778 7.205 ( -0.544 0.000 -1.219) 1.335 7.648 ( 15.862 0.000 -12.954) 20.480 7.938 ( -1.792 0.000 -3.806) 4.207 8.019 ( 6.085 0.000 6.964) 9.248 8.440 ( -1.779 0.000 0.920) 2.002 10.361 ( -3.675 0.000 4.075) 5.488 10.489 ( -5.692 0.000 -1.517) 5.891 12.667 ( -3.512 0.000 -4.745) 5.904 12.981 ( 6.992 0.000 5.754) 9.055 13.317 ( -6.946 0.000 -2.177) 7.279 13.524 ( 2.824 0.000 -0.680) 2.905 14.317 ( -2.500 0.000 0.664) 2.587 14.447 ( 5.370 0.000 -4.085) 6.747 15.034 ( -0.172 0.000 2.956) 2.961 15.399 ( -10.261 0.000 -6.831) 12.327 15.869 ( -3.326 0.000 15.383) 15.738 16.670 ( -2.740 0.000 -10.569) 10.918 18.137 ( -11.463 0.000 4.950) 12.487 18.343 ( -2.799 0.000 -6.804) 7.357 20.587 ( -4.737 0.000 -4.936) 6.841 20.971 ( 9.317 0.000 8.835) 12.840 21.866 ( 4.415 0.000 -1.256) 4.590 22.348 ( -1.851 0.000 -1.370) 2.303 ======================= Grid point 462 (233/260) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -0.847 0.000 -14.952) 14.976 2.345 ( -2.971 0.000 9.088) 9.562 2.546 ( 4.266 0.000 -12.680) 13.378 2.724 ( 5.117 0.000 11.513) 12.599 3.164 ( -6.293 0.000 0.700) 6.332 3.388 ( 2.518 0.000 3.248) 4.110 4.802 ( -3.817 0.000 0.471) 3.846 4.989 ( -2.494 0.000 -9.439) 9.763 5.485 ( 15.494 0.000 3.070) 15.795 5.688 ( 11.765 0.000 -8.954) 14.784 6.345 ( -11.306 0.000 14.193) 18.145 6.784 ( -0.397 0.000 9.325) 9.333 7.118 ( -3.533 0.000 -6.849) 7.707 7.201 ( 0.400 0.000 -1.402) 1.458 7.753 ( -5.040 0.000 -6.922) 8.563 7.988 ( 4.768 0.000 -6.642) 8.176 8.233 ( 11.223 0.000 2.973) 11.610 8.464 ( 8.964 0.000 3.860) 9.759 10.237 ( -8.619 0.000 8.471) 12.085 10.344 ( -7.810 0.000 -5.704) 9.672 12.641 ( 0.579 0.000 0.737) 0.937 13.050 ( -0.471 0.000 2.221) 2.271 13.192 ( -4.013 0.000 -8.689) 9.571 13.606 ( 4.235 0.000 5.095) 6.625 14.240 ( -5.088 0.000 3.561) 6.210 14.535 ( 1.715 0.000 -11.946) 12.069 14.993 ( -5.332 0.000 0.817) 5.395 15.161 ( -6.979 0.000 7.394) 10.168 15.890 ( 4.417 0.000 6.527) 7.881 16.581 ( -4.964 0.000 -12.561) 13.506 17.835 ( -17.711 0.000 3.693) 18.092 18.186 ( -12.516 0.000 -5.784) 13.788 20.529 ( -0.665 0.000 -2.999) 3.072 21.178 ( 10.443 0.000 8.833) 13.677 21.967 ( 4.789 0.000 -1.649) 5.065 22.290 ( -3.784 0.000 -2.414) 4.489 ======================= Grid point 463 (234/260) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( -1.374 0.000 -18.232) 18.284 2.287 ( -2.483 0.000 9.928) 10.234 2.470 ( -8.538 0.000 -5.618) 10.220 2.781 ( -2.454 0.000 3.156) 3.998 3.231 ( 14.141 0.000 1.466) 14.217 3.602 ( 16.265 0.000 4.885) 16.983 4.667 ( -9.535 0.000 0.059) 9.535 4.902 ( -6.241 0.000 -6.103) 8.729 5.812 ( 15.195 0.000 -1.512) 15.270 5.934 ( 11.679 0.000 -8.351) 14.358 6.195 ( -2.289 0.000 17.276) 17.427 6.826 ( 4.432 0.000 3.670) 5.754 6.987 ( -8.507 0.000 -6.265) 10.565 7.158 ( -4.754 0.000 -2.425) 5.337 7.604 ( -8.077 0.000 -4.159) 9.085 7.925 ( -9.869 0.000 1.291) 9.953 8.505 ( 16.993 0.000 -1.722) 17.080 8.812 ( 20.255 0.000 3.210) 20.508 10.025 ( -11.702 0.000 4.465) 12.525 10.165 ( -9.839 0.000 -3.996) 10.619 12.667 ( 1.501 0.000 7.426) 7.577 12.996 ( -4.295 0.000 0.273) 4.304 13.172 ( 2.425 0.000 -14.598) 14.798 13.612 ( -5.194 0.000 9.810) 11.101 14.136 ( -4.393 0.000 4.980) 6.641 14.500 ( -2.500 0.000 -15.131) 15.336 14.924 ( 0.226 0.000 0.402) 0.461 15.124 ( 0.509 0.000 9.688) 9.701 16.023 ( 8.062 0.000 0.795) 8.101 16.497 ( -2.335 0.000 -10.809) 11.058 17.435 ( -20.558 0.000 2.873) 20.758 17.847 ( -19.405 0.000 -3.156) 19.660 20.547 ( 2.005 0.000 -1.806) 2.699 21.398 ( 10.777 0.000 7.973) 13.406 22.043 ( 2.330 0.000 -2.953) 3.761 22.193 ( -5.438 0.000 -1.904) 5.762 ======================= Grid point 464 (235/260) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( 0.638 0.000 -14.078) 14.093 2.250 ( -1.359 0.000 6.092) 6.241 2.286 ( -8.209 0.000 -0.567) 8.228 2.710 ( -2.940 0.000 0.949) 3.089 3.612 ( 20.702 0.000 1.247) 20.739 3.983 ( 19.397 0.000 4.734) 19.966 4.410 ( -15.220 0.000 -0.556) 15.230 4.710 ( -12.583 0.000 -4.422) 13.337 6.066 ( 8.413 0.000 -2.351) 8.735 6.133 ( 8.704 0.000 2.077) 8.949 6.292 ( 9.703 0.000 8.525) 12.916 6.760 ( -11.295 0.000 -8.631) 14.215 6.940 ( -0.268 0.000 -0.446) 0.520 7.077 ( 2.897 0.000 -1.669) 3.343 7.447 ( -6.854 0.000 -1.245) 6.967 7.668 ( -13.696 0.000 3.376) 14.106 8.880 ( 17.979 0.000 1.397) 18.033 9.214 ( 17.985 0.000 0.710) 17.999 9.767 ( -13.251 0.000 -2.100) 13.417 9.940 ( -11.584 0.000 0.145) 11.585 12.701 ( 1.618 0.000 5.992) 6.206 12.894 ( -4.877 0.000 1.257) 5.036 13.264 ( 5.412 0.000 -8.924) 10.437 13.459 ( -7.250 0.000 2.382) 7.631 14.049 ( -4.230 0.000 4.710) 6.331 14.490 ( 1.026 0.000 -7.951) 8.017 14.951 ( 1.374 0.000 -1.291) 1.885 15.152 ( 1.773 0.000 6.324) 6.568 16.204 ( 8.761 0.000 -1.385) 8.870 16.500 ( 2.922 0.000 -6.959) 7.547 17.034 ( -17.333 0.000 2.498) 17.512 17.448 ( -17.557 0.000 -0.521) 17.565 20.591 ( 1.834 0.000 -0.958) 2.070 21.619 ( 10.446 0.000 7.372) 12.785 22.021 ( -5.820 0.000 -9.264) 10.941 22.109 ( -1.033 0.000 3.457) 3.608 ======================= Grid point 465 (236/260) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( -0.000 0.000 0.000) 0.000 2.151 ( 0.000 0.000 -0.000) 0.000 2.241 ( -0.000 0.000 0.000) 0.000 2.679 ( -0.000 0.000 0.000) 0.000 4.012 ( -0.000 0.000 0.000) 0.000 4.054 ( 0.000 0.000 0.000) 0.000 4.349 ( -0.000 0.000 0.000) 0.000 4.430 ( 0.000 0.000 0.000) 0.000 6.155 ( -0.000 0.000 0.000) 0.000 6.256 ( -0.000 0.000 0.000) 0.000 6.457 ( -0.000 0.000 -0.000) 0.000 6.572 ( -0.000 0.000 0.000) 0.000 6.880 ( -0.000 0.000 0.000) 0.000 7.236 ( 0.000 0.000 0.000) 0.000 7.325 ( -0.000 0.000 0.000) 0.000 7.478 ( -0.000 0.000 0.000) 0.000 9.125 ( -0.000 0.000 0.000) 0.000 9.489 ( 0.000 0.000 0.000) 0.000 9.540 ( -0.000 0.000 0.000) 0.000 9.766 ( -0.000 0.000 0.000) 0.000 12.723 ( -0.000 0.000 -0.000) 0.000 12.836 ( -0.000 0.000 0.000) 0.000 13.334 ( -0.000 0.000 -0.000) 0.000 13.375 ( -0.000 0.000 0.000) 0.000 13.997 ( -0.000 0.000 0.000) 0.000 14.504 ( -0.000 0.000 0.000) 0.000 14.965 ( -0.000 0.000 0.000) 0.000 15.177 ( -0.000 0.000 0.000) 0.000 16.313 ( -0.000 0.000 0.000) 0.000 16.573 ( -0.000 0.000 0.000) 0.000 16.810 ( -0.000 0.000 0.000) 0.000 17.238 ( -0.000 0.000 0.000) 0.000 20.611 ( -0.000 0.000 0.000) 0.000 21.784 ( 0.000 0.000 0.000) 0.000 21.896 ( -0.000 0.000 0.000) 0.000 22.105 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 471 (237/260) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( -0.000 8.064 0.000) 8.064 2.330 ( 0.000 9.282 -0.000) 9.282 2.512 ( 0.000 3.858 0.000) 3.858 2.654 ( -0.000 8.430 0.000) 8.430 3.486 ( 0.000 7.654 -0.000) 7.654 3.663 ( -0.000 6.529 0.000) 6.529 4.730 ( 0.000 -2.564 0.000) 2.564 5.021 ( 0.000 3.168 0.000) 3.168 5.203 ( 0.000 -0.390 0.000) 0.390 5.431 ( 0.000 3.434 0.000) 3.434 6.646 ( -0.000 -0.071 -0.000) 0.071 6.886 ( -0.000 -8.948 0.000) 8.948 7.162 ( 0.000 -3.486 -0.000) 3.486 7.192 ( -0.000 3.961 0.000) 3.961 7.336 ( 0.000 -2.904 -0.000) 2.904 7.940 ( -0.000 -0.782 0.000) 0.782 8.180 ( -0.000 18.291 0.000) 18.291 8.605 ( 0.000 14.132 0.000) 14.132 10.385 ( -0.000 -1.317 0.000) 1.317 10.537 ( 0.000 -1.545 -0.000) 1.545 12.729 ( -0.000 -2.961 0.000) 2.961 12.919 ( 0.000 7.694 0.000) 7.694 13.448 ( 0.000 3.146 0.000) 3.146 13.541 ( -0.000 5.595 0.000) 5.595 14.318 ( 0.000 -3.245 0.000) 3.245 14.351 ( -0.000 -2.188 0.000) 2.188 14.922 ( 0.000 -9.977 0.000) 9.977 15.456 ( -0.000 -3.644 0.000) 3.644 16.060 ( 0.000 10.749 0.000) 10.749 16.700 ( 0.000 0.671 -0.000) 0.671 18.228 ( -0.000 -5.625 0.000) 5.625 18.282 ( 0.000 -5.863 -0.000) 5.863 20.668 ( 0.000 -0.344 0.000) 0.344 20.880 ( -0.000 4.339 0.000) 4.339 21.819 ( 0.000 0.291 0.000) 0.291 22.345 ( -0.000 -2.361 0.000) 2.361 ======================= Grid point 473 (238/260) ======================= q-point: ( 0.10 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( -1.022 8.347 -5.414) 10.001 2.427 ( 7.364 8.166 -7.986) 13.590 2.490 ( -1.572 4.403 5.238) 7.021 2.695 ( 3.458 7.226 5.405) 9.664 3.396 ( -8.015 6.757 1.134) 10.544 3.529 ( -10.174 4.717 1.359) 11.296 4.792 ( 2.808 -2.530 -2.193) 4.370 5.026 ( 0.072 1.982 -9.692) 9.893 5.258 ( 6.821 1.430 5.553) 8.912 5.513 ( 7.759 3.273 -2.488) 8.781 6.563 ( -9.809 -1.991 6.809) 12.105 6.817 ( -5.595 -2.900 10.384) 12.147 7.046 ( 0.741 -5.196 -1.548) 5.472 7.162 ( -2.147 -4.732 -3.032) 6.016 7.647 ( 17.249 1.656 -13.920) 22.227 8.041 ( 8.845 2.066 7.221) 11.604 8.148 ( -1.983 18.066 -3.124) 18.441 8.567 ( -3.269 12.867 0.952) 13.310 10.353 ( -3.391 -0.954 4.666) 5.846 10.481 ( -4.976 -0.806 -2.334) 5.555 12.684 ( -2.011 0.915 -2.720) 3.505 13.018 ( 6.428 4.517 3.277) 8.513 13.340 ( -7.460 2.382 -2.688) 8.280 13.580 ( 2.489 5.601 0.024) 6.130 14.286 ( -2.463 -2.996 2.280) 4.499 14.432 ( 6.088 -1.637 -5.153) 8.143 14.917 ( -0.793 -9.859 2.851) 10.294 15.411 ( -5.668 -0.480 -5.752) 8.090 15.940 ( -7.462 7.013 13.956) 17.310 16.677 ( -2.949 0.826 -10.715) 11.144 18.085 ( -11.234 -5.222 4.959) 13.344 18.286 ( -2.625 -5.777 -6.050) 8.767 20.601 ( -4.127 1.322 -3.761) 5.738 20.992 ( 8.477 2.414 7.264) 11.422 21.865 ( 4.066 -0.088 -1.097) 4.213 22.326 ( -1.785 -2.277 -1.098) 3.095 ======================= Grid point 474 (239/260) ======================= q-point: ( 0.20 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -1.290 7.778 -13.801) 15.894 2.428 ( -3.139 7.166 7.478) 10.823 2.602 ( 5.141 5.846 -10.101) 12.753 2.759 ( 2.706 4.098 10.298) 11.408 3.214 ( -7.498 4.947 0.798) 9.018 3.399 ( 0.893 0.872 2.448) 2.748 4.774 ( -4.319 -3.038 -0.104) 5.282 4.994 ( -3.007 0.188 -9.067) 9.555 5.502 ( 15.129 2.486 0.333) 15.335 5.721 ( 11.805 3.196 -3.871) 12.828 6.316 ( -11.460 -2.793 12.790) 17.399 6.736 ( -2.421 -4.555 6.316) 8.154 7.060 ( -2.617 -5.335 -4.850) 7.671 7.169 ( 3.539 -2.795 -1.187) 4.664 7.839 ( -1.762 7.718 -8.423) 11.559 8.114 ( 2.030 11.309 -3.209) 11.929 8.302 ( 10.783 6.761 1.461) 12.811 8.554 ( 7.237 9.442 4.077) 12.575 10.236 ( -8.180 -0.217 8.783) 12.004 10.356 ( -6.816 1.114 -6.415) 9.426 12.675 ( 0.780 2.818 2.129) 3.617 13.101 ( 0.884 5.285 0.825) 5.422 13.214 ( -3.527 2.158 -9.116) 10.010 13.647 ( 3.377 4.327 5.117) 7.504 14.209 ( -5.115 -2.912 3.665) 6.934 14.543 ( 3.250 0.546 -11.696) 12.152 14.873 ( -3.259 -8.983 2.804) 9.959 15.231 ( -8.549 3.923 4.262) 10.327 15.899 ( 3.091 0.973 7.746) 8.397 16.575 ( -5.911 -0.515 -12.945) 14.240 17.789 ( -17.403 -4.550 4.089) 18.447 18.138 ( -11.851 -4.832 -5.145) 13.793 20.546 ( -0.897 1.669 -2.165) 2.877 21.185 ( 9.891 0.902 7.368) 12.366 21.958 ( 4.322 -0.932 -1.580) 4.695 22.271 ( -3.610 -2.004 -1.832) 4.517 ======================= Grid point 475 (240/260) ======================= q-point: ( 0.30 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( -1.670 7.427 -16.279) 17.971 2.364 ( -3.099 6.885 6.845) 10.191 2.526 ( -8.796 6.230 -2.478) 11.059 2.802 ( -2.138 2.252 2.259) 3.840 3.238 ( 11.721 0.417 1.390) 11.811 3.584 ( 14.968 -2.187 4.174) 15.692 4.623 ( -10.363 -4.651 -0.244) 11.362 4.893 ( -7.311 -1.611 -6.026) 9.611 5.813 ( 14.111 1.271 -2.562) 14.398 5.965 ( 11.049 2.478 -3.500) 11.853 6.174 ( -1.189 -1.696 14.198) 14.348 6.724 ( 0.843 -7.844 -0.441) 7.901 6.980 ( -4.258 -0.069 -3.752) 5.676 7.219 ( 0.566 2.880 -0.369) 2.958 7.683 ( -10.160 7.778 -5.377) 13.879 8.004 ( -11.865 7.629 2.497) 14.326 8.580 ( 17.155 7.355 -1.907) 18.763 8.876 ( 19.280 6.326 3.274) 20.554 10.036 ( -11.006 1.131 5.297) 12.267 10.192 ( -9.327 2.567 -5.143) 10.956 12.700 ( 1.502 3.074 7.634) 8.366 13.074 ( -3.013 7.507 -0.577) 8.109 13.213 ( 3.498 4.201 -13.983) 15.014 13.639 ( -5.759 3.010 8.301) 10.542 14.116 ( -3.006 -1.678 4.979) 6.053 14.527 ( -2.778 2.482 -14.222) 14.702 14.856 ( 2.076 -6.211 0.299) 6.556 15.133 ( -1.953 0.209 9.464) 9.666 16.017 ( 7.486 -0.517 1.957) 7.755 16.474 ( -2.894 -2.320 -11.383) 11.972 17.396 ( -20.199 -3.809 3.461) 20.844 17.817 ( -18.452 -3.058 -2.875) 18.923 20.556 ( 1.459 0.797 -1.106) 1.997 21.393 ( 10.170 -0.383 6.460) 12.055 22.022 ( 1.565 -2.063 -2.983) 3.950 22.182 ( -4.749 -1.224 -1.058) 5.017 ======================= Grid point 476 (241/260) ======================= q-point: ( 0.40 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 0.224 7.049 -13.415) 15.156 2.307 ( -2.990 5.100 4.554) 7.463 2.348 ( -6.991 6.550 0.870) 9.619 2.733 ( -2.866 2.418 1.165) 3.927 3.581 ( 19.300 -3.322 1.060) 19.613 3.943 ( 18.800 -4.404 4.362) 19.796 4.354 ( -15.548 -5.828 -0.721) 16.620 4.675 ( -13.822 -4.197 -4.221) 15.049 6.047 ( 8.430 -0.842 1.077) 8.540 6.146 ( 7.587 1.523 0.655) 7.766 6.285 ( 8.838 -0.552 5.832) 10.603 6.700 ( -4.658 -4.514 -5.091) 8.245 6.932 ( -0.057 2.680 -3.316) 4.264 7.215 ( 0.896 7.980 -1.434) 8.157 7.492 ( -7.158 4.480 -1.957) 8.668 7.718 ( -14.592 5.247 4.418) 16.124 8.948 ( 17.335 6.653 1.283) 18.612 9.260 ( 17.240 4.562 0.906) 17.856 9.793 ( -12.504 2.596 -0.797) 12.795 9.974 ( -11.418 3.286 -1.293) 11.952 12.748 ( 3.251 4.614 6.280) 8.444 12.984 ( -5.487 8.655 -0.103) 10.248 13.321 ( 5.843 5.638 -6.664) 10.504 13.478 ( -7.241 2.184 -0.719) 7.597 14.060 ( -3.081 1.313 6.432) 7.252 14.500 ( 0.225 1.036 -8.182) 8.250 14.913 ( 2.527 -3.823 -2.197) 5.082 15.122 ( 0.349 -3.066 6.985) 7.636 16.178 ( 7.370 -2.573 -1.128) 7.887 16.475 ( 3.237 -2.464 -6.811) 7.934 17.002 ( -16.970 -3.067 3.048) 17.513 17.438 ( -16.541 -0.977 -0.615) 16.581 20.589 ( 1.441 -0.202 -0.531) 1.549 21.600 ( 9.695 -1.842 5.800) 11.447 21.988 ( -5.246 -3.040 -6.606) 8.967 22.112 ( -1.259 0.036 1.934) 2.308 ======================= Grid point 477 (242/260) ======================= q-point: ( 0.50 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -0.000 6.388 0.000) 6.388 2.211 ( 0.000 5.875 -0.000) 5.875 2.299 ( -0.000 5.627 0.000) 5.627 2.704 ( -0.000 2.477 0.000) 2.477 3.952 ( -0.000 -6.229 0.000) 6.229 4.014 ( 0.000 -4.210 -0.000) 4.210 4.315 ( -0.000 -3.970 0.000) 3.970 4.365 ( 0.000 -7.057 -0.000) 7.057 6.145 ( -0.000 -0.367 0.000) 0.367 6.246 ( -0.000 0.143 -0.000) 0.143 6.402 ( 0.000 -4.097 0.000) 4.097 6.612 ( -0.000 3.539 0.000) 3.539 6.924 ( -0.000 4.076 0.000) 4.076 7.273 ( 0.000 3.329 0.000) 3.329 7.425 ( -0.000 8.711 0.000) 8.711 7.503 ( 0.000 2.441 0.000) 2.441 9.183 ( -0.000 5.638 0.000) 5.638 9.526 ( 0.000 3.786 0.000) 3.786 9.577 ( -0.000 3.434 0.000) 3.434 9.803 ( -0.000 3.725 0.000) 3.725 12.813 ( 0.000 8.917 -0.000) 8.917 12.892 ( -0.000 5.338 0.000) 5.338 13.391 ( -0.000 1.569 -0.000) 1.569 13.402 ( 0.000 6.811 0.000) 6.811 14.019 ( -0.000 2.447 0.000) 2.447 14.506 ( -0.000 0.249 0.000) 0.249 14.939 ( -0.000 -2.583 0.000) 2.583 15.131 ( 0.000 -4.593 0.000) 4.593 16.269 ( -0.000 -4.478 0.000) 4.478 16.550 ( -0.000 -2.260 0.000) 2.260 16.785 ( -0.000 -2.320 0.000) 2.320 17.241 ( -0.000 0.338 0.000) 0.338 20.605 ( -0.000 -0.618 0.000) 0.618 21.746 ( -0.000 -3.673 0.000) 3.673 21.882 ( -0.000 -1.428 0.000) 1.428 22.104 ( -0.000 -0.182 0.000) 0.182 ======================= Grid point 483 (243/260) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( -0.000 6.503 0.000) 6.503 2.524 ( 0.000 8.275 0.000) 8.275 2.618 ( 0.000 7.639 0.000) 7.639 2.865 ( -0.000 11.308 -0.000) 11.308 3.699 ( -0.000 13.761 -0.000) 13.761 3.848 ( 0.000 12.037 0.000) 12.037 4.695 ( -0.000 -0.565 0.000) 0.565 5.106 ( 0.000 5.496 -0.000) 5.496 5.191 ( 0.000 -0.712 0.000) 0.712 5.524 ( 0.000 5.621 0.000) 5.621 6.613 ( -0.000 -4.034 0.000) 4.034 6.687 ( -0.000 -11.143 -0.000) 11.143 7.050 ( 0.000 -6.932 -0.000) 6.932 7.252 ( -0.000 2.287 0.000) 2.287 7.325 ( 0.000 1.724 -0.000) 1.724 7.916 ( -0.000 -1.625 0.000) 1.625 8.624 ( -0.000 25.770 0.000) 25.770 8.973 ( 0.000 22.296 0.000) 22.296 10.339 ( -0.000 -3.700 -0.000) 3.700 10.486 ( 0.000 -3.868 0.000) 3.868 12.660 ( 0.000 -3.680 0.000) 3.680 13.120 ( 0.000 12.082 0.000) 12.082 13.526 ( -0.000 4.415 0.000) 4.415 13.688 ( 0.000 8.804 0.000) 8.804 14.241 ( 0.000 -3.971 -0.000) 3.971 14.281 ( -0.000 -5.117 0.000) 5.117 14.710 ( 0.000 -10.322 -0.000) 10.322 15.349 ( -0.000 -7.287 0.000) 7.287 16.317 ( -0.000 14.962 0.000) 14.962 16.720 ( 0.000 1.417 -0.000) 1.417 18.064 ( -0.000 -11.086 0.000) 11.086 18.119 ( 0.000 -10.456 -0.000) 10.456 20.664 ( 0.000 -0.046 0.000) 0.046 21.019 ( -0.000 9.964 0.000) 9.964 21.826 ( 0.000 0.418 -0.000) 0.418 22.269 ( -0.000 -5.547 0.000) 5.547 ======================= Grid point 485 (244/260) ======================= q-point: ( 0.10 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( -1.003 6.783 -6.333) 9.334 2.567 ( 2.533 4.953 1.641) 5.800 2.626 ( 1.887 9.386 -1.513) 9.693 2.893 ( 2.536 11.302 4.173) 12.312 3.581 ( -10.307 11.889 0.589) 15.746 3.670 ( -14.165 9.963 1.012) 17.347 4.737 ( 1.023 -3.056 -2.588) 4.133 5.057 ( -3.352 0.316 -7.965) 8.647 5.320 ( 11.145 5.565 1.895) 12.600 5.605 ( 7.647 5.891 2.524) 9.977 6.499 ( -10.592 -4.547 6.360) 13.165 6.722 ( -1.275 -6.732 1.031) 6.929 6.925 ( -3.407 -7.619 4.418) 9.443 7.067 ( -4.280 -3.574 -1.720) 5.835 7.711 ( 20.204 4.171 -15.641) 25.889 8.072 ( 12.770 1.183 9.228) 15.800 8.578 ( -3.985 24.566 -3.125) 25.083 8.909 ( -5.671 20.795 1.262) 21.591 10.317 ( -2.521 -2.966 6.210) 7.330 10.453 ( -2.857 -2.302 -4.422) 5.746 12.675 ( 1.512 -1.788 0.274) 2.357 13.169 ( 4.163 10.341 0.239) 11.150 13.403 ( -8.263 3.718 -4.538) 10.134 13.733 ( 2.370 9.502 1.121) 9.857 14.214 ( -2.231 -3.820 4.866) 6.576 14.373 ( 7.390 -4.703 -5.820) 10.517 14.721 ( 0.538 -8.900 3.197) 9.472 15.349 ( -0.740 -5.779 -4.237) 7.204 16.120 ( -14.222 10.703 10.086) 20.459 16.706 ( -3.541 2.140 -10.731) 11.501 17.942 ( -9.916 -9.049 4.720) 14.230 18.123 ( -1.965 -10.692 -3.682) 11.477 20.631 ( -2.516 1.527 -0.478) 2.982 21.083 ( 5.661 7.386 2.870) 9.738 21.863 ( 3.201 -0.163 -0.933) 3.338 22.255 ( -1.435 -5.201 -0.159) 5.398 ======================= Grid point 486 (245/260) ======================= q-point: ( 0.20 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( -1.132 7.272 -11.072) 13.294 2.561 ( -2.076 5.854 4.646) 7.757 2.742 ( 7.479 6.886 -4.590) 11.155 2.922 ( -2.184 12.431 7.667) 14.767 3.347 ( -11.626 8.524 1.007) 14.451 3.418 ( -5.194 1.746 -0.585) 5.510 4.677 ( -6.675 -7.075 -0.701) 9.753 4.966 ( -5.693 -4.063 -7.898) 10.549 5.605 ( 15.080 8.048 -0.887) 17.116 5.808 ( 11.164 5.689 2.122) 12.708 6.251 ( -10.654 -3.363 7.795) 13.623 6.636 ( -4.232 -4.680 3.445) 7.189 6.935 ( 1.382 -7.034 -3.451) 7.956 7.101 ( 6.094 -4.298 0.558) 7.478 8.006 ( 4.469 8.389 -11.658) 15.042 8.309 ( 5.680 6.768 8.211) 12.062 8.534 ( 3.327 17.422 -5.587) 18.596 8.819 ( 1.311 16.557 4.054) 17.096 10.226 ( -6.381 -0.905 9.389) 11.388 10.377 ( -4.538 0.799 -7.954) 9.192 12.717 ( 2.245 0.900 4.696) 5.282 13.249 ( 1.405 8.673 -6.432) 10.888 13.276 ( -1.295 4.683 -5.833) 7.592 13.782 ( 2.183 9.452 6.746) 11.815 14.145 ( -4.388 -3.001 2.688) 5.957 14.533 ( 7.265 -2.540 -9.458) 12.194 14.706 ( -2.354 -6.888 3.411) 8.039 15.264 ( -7.675 -0.936 -0.501) 7.748 15.933 ( -1.729 2.677 9.687) 10.198 16.566 ( -8.587 -0.412 -13.133) 15.696 17.672 ( -16.223 -6.883 5.214) 18.378 18.005 ( -9.715 -8.549 -3.532) 13.414 20.587 ( -1.405 2.250 0.509) 2.701 21.226 ( 7.759 3.682 2.826) 9.041 21.933 ( 3.044 -1.600 -1.586) 3.787 22.210 ( -2.836 -4.177 0.006) 5.049 ======================= Grid point 487 (246/260) ======================= q-point: ( 0.30 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( -1.152 8.623 -12.388) 15.137 2.504 ( -3.400 6.968 2.653) 8.195 2.731 ( -10.111 14.180 3.306) 17.727 2.875 ( -1.351 5.464 -0.663) 5.668 3.235 ( 4.646 -0.689 0.979) 4.798 3.508 ( 11.219 -5.333 2.470) 12.666 4.477 ( -12.465 -10.414 -0.312) 16.246 4.800 ( -10.869 -8.838 -5.382) 15.007 5.879 ( 10.581 5.030 0.447) 11.724 6.029 ( 9.786 4.467 0.980) 10.802 6.160 ( 2.846 1.026 5.712) 6.464 6.604 ( 1.270 -3.487 -0.540) 3.750 6.968 ( 1.657 -1.415 -3.584) 4.195 7.227 ( 5.279 -1.904 1.513) 5.813 7.874 ( -12.866 10.605 -7.648) 18.344 8.188 ( -14.083 10.149 5.674) 18.262 8.773 ( 16.671 11.800 -2.444) 20.571 9.040 ( 16.206 9.745 3.312) 19.198 10.068 ( -8.926 2.125 6.901) 11.481 10.250 ( -7.943 2.959 -7.468) 11.297 12.767 ( 2.906 3.151 8.537) 9.552 13.237 ( -0.246 7.610 -10.676) 13.113 13.342 ( 5.019 8.916 -5.247) 11.498 13.746 ( -7.494 8.291 7.956) 13.719 14.093 ( 0.577 0.140 2.653) 2.718 14.581 ( -3.256 2.302 -10.572) 11.299 14.710 ( 4.676 -7.945 -1.549) 9.348 15.114 ( -5.626 -2.325 7.855) 9.937 16.003 ( 5.931 -0.995 5.371) 8.063 16.413 ( -4.657 -3.763 -12.468) 13.831 17.301 ( -19.221 -5.396 5.083) 20.601 17.735 ( -15.678 -5.030 -2.389) 16.637 20.575 ( 0.092 1.082 1.004) 1.479 21.391 ( 8.131 0.478 1.879) 8.359 21.967 ( -0.163 -3.551 -2.558) 4.380 22.146 ( -2.998 -2.280 0.944) 3.883 ======================= Grid point 488 (247/260) ======================= q-point: ( 0.40 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 0.183 10.027 -11.386) 15.173 2.432 ( -3.390 7.573 3.935) 9.183 2.532 ( -7.878 11.729 0.475) 14.137 2.807 ( -3.154 5.227 2.109) 6.459 3.476 ( 15.604 -7.441 0.105) 17.287 3.801 ( 16.337 -9.942 3.601) 19.461 4.182 ( -15.811 -11.663 -0.437) 19.652 4.518 ( -16.122 -12.273 -3.809) 20.617 6.060 ( 8.034 2.225 4.985) 9.714 6.210 ( 7.316 4.909 -1.575) 8.950 6.289 ( 6.353 1.673 1.783) 6.808 6.661 ( 3.085 0.834 -1.778) 3.657 6.997 ( 1.205 2.947 -2.907) 4.311 7.311 ( 3.098 1.787 -1.819) 4.013 7.609 ( -10.067 7.010 -4.223) 12.974 7.860 ( -16.284 8.479 6.592) 19.507 9.119 ( 15.780 10.199 0.439) 18.795 9.378 ( 15.564 6.912 1.760) 17.121 9.865 ( -10.852 4.623 1.802) 11.932 10.055 ( -10.334 4.650 -4.225) 12.094 12.860 ( 6.316 5.965 7.408) 11.417 13.192 ( -5.092 11.553 -5.574) 13.801 13.447 ( 2.776 5.901 2.668) 7.046 13.577 ( -4.301 9.136 -8.635) 13.287 14.109 ( -0.415 3.917 8.485) 9.355 14.526 ( -1.184 1.280 -7.487) 7.688 14.812 ( 4.619 -5.909 -5.201) 9.127 15.035 ( -2.638 -5.727 8.289) 10.415 16.107 ( 3.548 -4.563 0.180) 5.783 16.410 ( 4.253 -3.982 -6.367) 8.631 16.928 ( -15.895 -4.070 4.270) 16.954 17.413 ( -14.004 -1.533 -0.960) 14.120 20.583 ( 0.445 -0.406 0.696) 0.920 21.554 ( 7.400 -2.672 1.382) 7.988 21.916 ( -4.331 -4.091 -2.776) 6.573 22.105 ( -1.042 -0.804 1.256) 1.819 ======================= Grid point 489 (248/260) ======================= q-point: ( 0.50 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( -0.000 9.388 -0.000) 9.388 2.376 ( 0.000 10.686 0.000) 10.686 2.444 ( -0.000 8.792 -0.000) 8.792 2.774 ( -0.000 4.766 0.000) 4.766 3.769 ( -0.000 -12.299 0.000) 12.299 3.885 ( 0.000 -8.969 -0.000) 8.969 4.148 ( -0.000 -14.801 0.000) 14.801 4.176 ( 0.000 -10.399 -0.000) 10.399 6.166 ( -0.000 2.765 0.000) 2.765 6.291 ( -0.000 4.441 -0.000) 4.441 6.355 ( 0.000 -0.019 0.000) 0.019 6.694 ( -0.000 4.746 0.000) 4.746 7.009 ( -0.000 3.900 0.000) 3.900 7.343 ( -0.000 3.449 -0.000) 3.449 7.562 ( -0.000 3.208 -0.000) 3.208 7.607 ( -0.000 9.030 0.000) 9.030 9.328 ( -0.000 8.585 -0.000) 8.585 9.633 ( 0.000 7.037 -0.000) 7.037 9.658 ( -0.000 4.500 0.000) 4.500 9.903 ( -0.000 6.172 0.000) 6.172 13.009 ( 0.000 5.379 0.000) 5.379 13.046 ( -0.000 14.189 -0.000) 14.189 13.443 ( -0.000 4.255 -0.000) 4.255 13.582 ( 0.000 10.756 0.000) 10.756 14.096 ( -0.000 5.279 0.000) 5.279 14.517 ( -0.000 0.933 0.000) 0.933 14.869 ( -0.000 -4.415 0.000) 4.415 15.005 ( 0.000 -7.994 0.000) 7.994 16.147 ( -0.000 -7.676 0.000) 7.676 16.493 ( -0.000 -3.239 0.000) 3.239 16.731 ( -0.000 -2.941 0.000) 2.941 17.248 ( -0.000 0.279 0.000) 0.279 20.588 ( -0.000 -1.036 0.000) 1.036 21.654 ( -0.000 -5.429 0.000) 5.429 21.845 ( -0.000 -2.216 0.000) 2.216 22.095 ( -0.000 -0.728 0.000) 0.728 ======================= Grid point 495 (249/260) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( -0.000 3.746 -0.000) 3.746 2.623 ( 0.000 2.866 0.000) 2.866 2.789 ( 0.000 8.016 0.000) 8.016 3.037 ( 0.000 5.904 -0.000) 5.904 4.001 ( -0.000 16.523 -0.000) 16.523 4.105 ( 0.000 13.308 0.000) 13.308 4.684 ( -0.000 -2.138 0.000) 2.138 5.172 ( 0.000 -1.466 -0.000) 1.466 5.251 ( 0.000 9.768 0.000) 9.768 5.640 ( 0.000 6.193 0.000) 6.193 6.463 ( -0.000 -11.326 0.000) 11.326 6.468 ( 0.000 -10.622 -0.000) 10.622 6.938 ( -0.000 -3.887 0.000) 3.887 7.285 ( 0.000 1.247 -0.000) 1.247 7.380 ( -0.000 3.249 0.000) 3.249 7.883 ( 0.000 -1.594 0.000) 1.594 9.133 ( -0.000 25.135 0.000) 25.135 9.424 ( 0.000 22.844 0.000) 22.844 10.232 ( 0.000 -7.455 -0.000) 7.455 10.377 ( -0.000 -7.529 0.000) 7.529 12.599 ( 0.000 -2.428 0.000) 2.428 13.359 ( 0.000 11.596 0.000) 11.596 13.605 ( -0.000 3.411 0.000) 3.411 13.831 ( 0.000 3.865 0.000) 3.865 14.158 ( 0.000 -6.787 -0.000) 6.787 14.212 ( 0.000 2.646 0.000) 2.646 14.553 ( 0.000 -5.562 0.000) 5.562 15.179 ( -0.000 -9.799 0.000) 9.799 16.627 ( 0.000 16.413 0.000) 16.413 16.752 ( -0.000 1.643 0.000) 1.643 17.805 ( 0.000 -14.914 0.000) 14.914 17.905 ( 0.000 -10.459 -0.000) 10.459 20.668 ( 0.000 0.431 0.000) 0.431 21.262 ( 0.000 14.414 0.000) 14.414 21.833 ( 0.000 0.309 -0.000) 0.309 22.123 ( -0.000 -9.467 0.000) 9.467 ======================= Grid point 497 (250/260) ======================= q-point: ( 0.10 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( -0.971 3.657 -6.328) 7.373 2.636 ( 0.989 2.308 2.821) 3.777 2.800 ( 1.378 7.543 -0.272) 7.672 3.062 ( 2.228 5.256 1.409) 5.880 3.850 ( -13.405 15.493 2.656) 20.659 3.918 ( -15.477 14.684 -1.318) 21.376 4.652 ( -4.306 -6.446 -1.538) 7.903 5.013 ( -8.970 -5.047 -8.133) 13.117 5.482 ( 14.925 10.516 3.373) 18.567 5.735 ( 8.481 7.400 4.433) 12.097 6.393 ( -6.746 -6.032 1.953) 9.257 6.560 ( 4.442 -9.727 -2.423) 10.964 6.780 ( -6.555 -5.968 3.139) 9.404 7.024 ( -9.455 -1.376 3.379) 10.135 7.791 ( 22.298 3.645 -16.912) 28.222 8.090 ( 16.116 0.693 11.066) 19.562 9.054 ( -7.159 22.944 -3.666) 24.313 9.322 ( -8.923 20.196 2.224) 22.191 10.231 ( -0.583 -5.855 7.813) 9.781 10.386 ( 0.685 -4.591 -6.624) 8.088 12.632 ( 2.990 -2.248 1.102) 3.899 13.378 ( 1.809 9.927 0.955) 10.135 13.475 ( -8.058 3.411 -7.094) 11.265 13.905 ( 3.624 5.966 -1.054) 7.060 14.176 ( -0.819 0.467 9.514) 9.561 14.261 ( 7.024 -4.590 -4.136) 9.355 14.593 ( 2.832 -4.440 2.837) 5.982 15.199 ( 1.675 -9.077 -4.404) 10.227 16.328 ( -19.653 9.837 4.519) 22.437 16.764 ( -5.283 3.877 -9.166) 11.267 17.756 ( -5.885 -9.368 2.920) 11.442 17.891 ( -1.279 -12.113 1.008) 12.222 20.654 ( -1.253 0.884 2.665) 3.075 21.280 ( 1.883 12.323 -2.154) 12.651 21.856 ( 1.900 -0.686 -1.533) 2.536 22.122 ( -0.155 -8.198 2.206) 8.492 ======================= Grid point 498 (251/260) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( -0.114 3.997 -9.200) 10.032 2.649 ( -0.083 3.016 5.560) 6.325 2.859 ( 4.657 5.002 -3.713) 7.778 3.115 ( 1.980 4.303 4.954) 6.854 3.530 ( -15.906 12.305 7.737) 21.547 3.570 ( -16.295 13.684 -8.637) 22.965 4.491 ( -10.999 -12.013 0.567) 16.297 4.809 ( -11.117 -11.985 -7.554) 18.008 5.794 ( 13.885 10.418 2.385) 17.522 5.938 ( 9.956 7.217 3.632) 12.821 6.203 ( -7.208 -1.458 0.575) 7.377 6.577 ( -1.464 -1.241 4.421) 4.819 6.798 ( 5.361 -6.570 -4.539) 9.618 6.997 ( 5.893 -6.238 2.152) 8.848 8.145 ( 8.727 5.625 -13.298) 16.872 8.407 ( 11.151 3.807 11.009) 16.126 8.895 ( -5.096 17.401 -5.875) 19.060 9.142 ( -5.273 15.146 4.499) 16.657 10.198 ( -2.832 -1.912 9.510) 10.105 10.380 ( -1.743 -0.515 -9.137) 9.316 12.708 ( 4.110 -1.486 4.651) 6.382 13.360 ( -2.287 4.995 -13.750) 14.807 13.429 ( 3.030 7.243 1.790) 8.053 13.963 ( 2.040 5.797 5.219) 8.062 14.148 ( -1.418 6.018 3.469) 7.090 14.430 ( 7.899 -6.377 -0.319) 10.157 14.629 ( 0.239 -2.206 0.059) 2.220 15.195 ( -3.873 -5.673 -7.210) 9.959 16.000 ( -8.995 3.861 7.934) 12.600 16.559 ( -12.338 -0.286 -10.961) 16.506 17.546 ( -14.264 -5.448 7.051) 16.818 17.825 ( -6.098 -9.220 -2.112) 11.255 20.623 ( -1.667 1.319 4.176) 4.686 21.337 ( 3.624 7.576 -4.208) 9.393 21.890 ( 0.985 -3.050 -1.739) 3.647 22.115 ( -0.577 -5.063 3.376) 6.113 ======================= Grid point 499 (252/260) ======================= q-point: ( 0.30 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 1.026 5.908 -9.864) 11.543 2.632 ( -1.546 5.811 5.063) 7.861 2.970 ( 2.907 4.917 -2.516) 6.241 3.036 ( -9.424 11.537 2.428) 15.093 3.251 ( -8.839 5.033 2.969) 10.596 3.417 ( 3.396 -1.540 -1.476) 4.010 4.222 ( -14.654 -15.269 1.364) 21.208 4.542 ( -14.881 -16.947 -5.572) 23.232 5.975 ( 5.119 4.207 1.789) 6.863 6.139 ( 9.895 6.130 3.232) 12.081 6.219 ( 6.874 4.339 0.035) 8.129 6.599 ( 4.236 2.879 1.734) 5.408 6.926 ( 6.298 -2.652 -4.344) 8.097 7.155 ( 7.904 -5.160 1.505) 9.558 8.059 ( -13.894 7.783 -9.096) 18.341 8.365 ( -13.950 7.444 8.580) 17.990 9.010 ( 14.353 11.623 -3.603) 18.817 9.222 ( 11.512 7.998 3.817) 14.528 10.114 ( -5.594 2.424 8.449) 10.419 10.297 ( -6.196 1.728 -9.775) 11.701 12.804 ( 5.473 0.494 7.518) 9.312 13.369 ( 2.608 6.465 -16.877) 18.260 13.504 ( 4.119 6.308 3.148) 8.165 13.925 ( -6.724 7.484 10.461) 14.514 14.170 ( 3.660 9.161 -2.519) 10.182 14.525 ( 0.136 -7.283 4.493) 8.558 14.642 ( 3.077 0.509 -12.101) 12.497 15.044 ( -8.344 -4.527 -0.014) 9.493 15.978 ( 3.483 -1.435 10.119) 10.798 16.337 ( -7.166 -3.768 -12.381) 14.793 17.206 ( -17.945 -3.947 7.432) 19.820 17.634 ( -11.841 -4.878 -2.597) 13.067 20.593 ( -1.270 0.661 3.958) 4.209 21.420 ( 4.351 2.539 -5.420) 7.400 21.885 ( -1.506 -4.710 -0.306) 4.954 22.101 ( -0.829 -2.123 2.915) 3.700 ======================= Grid point 500 (253/260) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 2.367 8.996 -8.583) 12.657 2.595 ( -1.750 8.917 4.092) 9.965 2.780 ( -10.479 12.804 -2.030) 16.669 2.946 ( -4.999 9.198 4.710) 11.479 3.304 ( 10.322 -9.577 -2.262) 14.261 3.585 ( 11.217 -10.948 2.831) 15.928 3.914 ( -14.832 -15.175 1.416) 21.267 4.213 ( -16.487 -17.938 -4.393) 24.757 6.120 ( 8.653 3.351 3.289) 9.845 6.309 ( 6.453 4.819 -0.358) 8.062 6.361 ( 5.151 4.821 1.137) 7.146 6.717 ( 5.855 4.371 -0.464) 7.321 7.033 ( 3.615 0.673 -1.029) 3.819 7.305 ( 6.847 -1.799 -3.284) 7.804 7.740 ( -13.695 5.767 -5.885) 15.983 8.013 ( -17.954 6.533 8.209) 20.794 9.318 ( 13.718 9.571 -1.839) 16.827 9.500 ( 13.886 4.901 3.504) 15.136 9.968 ( -8.734 5.695 4.810) 11.482 10.138 ( -8.372 3.442 -7.360) 11.666 12.944 ( 7.841 2.097 6.712) 10.532 13.405 ( -0.899 10.122 -11.527) 15.367 13.565 ( 0.680 6.486 6.217) 9.010 13.783 ( -3.667 9.557 -3.313) 10.760 14.217 ( -0.202 6.926 4.681) 8.362 14.521 ( 1.075 -2.379 -1.736) 3.135 14.723 ( 4.129 -2.163 -11.933) 12.811 14.909 ( -4.910 -6.605 7.666) 11.247 16.006 ( -1.294 -5.556 3.792) 6.850 16.332 ( 5.873 -3.590 -5.998) 9.130 16.861 ( -14.480 -2.558 5.435) 15.676 17.382 ( -11.196 -1.513 -1.637) 11.416 20.574 ( -0.644 -0.471 2.339) 2.471 21.506 ( 3.746 -2.062 -4.569) 6.257 21.837 ( -2.709 -3.697 1.192) 4.736 22.085 ( -0.643 -1.040 1.516) 1.948 ======================= Grid point 501 (254/260) ======================= q-point: ( 0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( -0.000 11.190 -0.000) 11.190 2.607 ( 0.000 12.463 0.000) 12.463 2.625 ( -0.000 9.365 0.000) 9.365 2.891 ( -0.000 7.170 0.000) 7.170 3.492 ( -0.000 -15.339 0.000) 15.339 3.677 ( 0.000 -11.834 0.000) 11.834 3.819 ( -0.000 -17.805 -0.000) 17.805 3.930 ( 0.000 -13.630 -0.000) 13.630 6.240 ( -0.000 4.070 0.000) 4.070 6.394 ( -0.000 5.223 0.000) 5.223 6.396 ( 0.000 3.489 -0.000) 3.489 6.787 ( -0.000 4.418 0.000) 4.418 7.063 ( 0.000 1.638 0.000) 1.638 7.397 ( 0.000 2.016 -0.000) 2.016 7.617 ( -0.000 2.231 0.000) 2.231 7.756 ( -0.000 5.950 0.000) 5.950 9.489 ( -0.000 7.257 -0.000) 7.257 9.739 ( 0.000 3.562 0.000) 3.562 9.784 ( -0.000 7.725 -0.000) 7.725 10.022 ( -0.000 5.458 0.000) 5.458 13.064 ( 0.000 0.345 0.000) 0.345 13.339 ( -0.000 15.194 -0.000) 15.194 13.569 ( -0.000 8.284 0.000) 8.284 13.771 ( -0.000 7.220 0.000) 7.220 14.202 ( -0.000 4.469 0.000) 4.469 14.542 ( -0.000 1.420 -0.000) 1.420 14.787 ( -0.000 -3.251 0.000) 3.251 14.842 ( 0.000 -7.769 -0.000) 7.769 15.986 ( -0.000 -8.218 0.000) 8.218 16.434 ( -0.000 -2.585 0.000) 2.585 16.683 ( -0.000 -1.786 0.000) 1.786 17.250 ( -0.000 -0.070 0.000) 0.070 20.567 ( -0.000 -0.996 0.000) 0.996 21.550 ( -0.000 -4.784 0.000) 4.784 21.802 ( -0.000 -1.977 0.000) 1.977 22.078 ( -0.000 -0.924 0.000) 0.924 ======================= Grid point 507 (255/260) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( -0.000 1.216 0.000) 1.216 2.656 ( 0.000 0.764 0.000) 0.764 2.898 ( -0.000 2.912 0.000) 2.912 3.104 ( 0.000 1.405 -0.000) 1.405 4.315 ( -0.000 6.584 -0.001) 6.584 4.315 ( 0.000 14.847 0.001) 14.847 4.572 ( -0.000 -9.353 0.000) 9.353 5.136 ( 0.000 -1.669 0.000) 1.669 5.453 ( 0.000 8.284 0.000) 8.284 5.752 ( 0.000 4.285 0.000) 4.285 6.256 ( -0.000 -8.417 0.000) 8.417 6.277 ( 0.000 -6.337 -0.000) 6.337 6.895 ( -0.000 -0.917 0.000) 0.917 7.302 ( 0.000 0.437 -0.000) 0.437 7.430 ( -0.000 1.521 0.000) 1.521 7.860 ( 0.000 -0.654 0.000) 0.654 9.553 ( 0.000 15.717 0.000) 15.717 9.825 ( -0.000 16.861 0.000) 16.861 10.057 ( 0.000 -9.023 -0.000) 9.023 10.190 ( -0.000 -11.012 0.000) 11.012 12.568 ( 0.000 -0.729 0.000) 0.729 13.541 ( 0.000 6.015 0.000) 6.015 13.650 ( -0.000 1.070 0.000) 1.070 13.827 ( 0.000 -2.199 0.000) 2.199 14.055 ( 0.000 -3.007 0.000) 3.007 14.328 ( 0.000 6.013 -0.000) 6.013 14.486 ( -0.000 -1.595 0.000) 1.595 15.002 ( -0.000 -6.581 0.000) 6.581 16.777 ( 0.000 0.772 0.000) 0.772 16.926 ( -0.000 12.055 0.000) 12.055 17.522 ( 0.000 -11.785 0.000) 11.785 17.751 ( -0.000 -4.445 -0.000) 4.445 20.676 ( 0.000 0.289 0.000) 0.289 21.548 ( 0.000 13.351 0.000) 13.351 21.837 ( -0.000 0.101 -0.000) 0.101 21.910 ( 0.000 -11.181 0.000) 11.181 ======================= Grid point 509 (256/260) ======================= q-point: ( 0.10 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( -1.015 1.226 -5.692) 5.910 2.663 ( 0.616 0.578 1.403) 1.637 2.902 ( 0.528 2.673 2.157) 3.475 3.115 ( 0.868 0.938 -0.759) 1.487 4.157 ( -13.813 14.107 4.055) 20.155 4.182 ( -12.395 10.288 -2.921) 16.371 4.474 ( -8.973 -11.150 1.825) 14.428 4.887 ( -16.490 -5.845 -10.746) 20.532 5.673 ( 14.440 6.696 9.769) 18.676 5.881 ( 10.115 6.376 2.807) 12.282 6.273 ( -0.616 -5.660 -2.813) 6.350 6.384 ( 8.698 -6.061 -4.265) 11.427 6.707 ( -8.900 -1.690 2.551) 9.411 7.005 ( -13.523 -0.510 5.346) 14.551 7.842 ( 23.115 1.437 -17.325) 28.923 8.099 ( 18.205 0.279 11.996) 21.804 9.411 ( -12.071 11.409 -6.266) 17.753 9.642 ( -14.010 10.708 5.651) 18.517 10.105 ( 3.476 -5.683 8.239) 10.596 10.290 ( 6.099 -4.007 -7.973) 10.809 12.599 ( 2.866 -0.911 1.215) 3.243 13.516 ( -3.371 2.904 -8.706) 9.777 13.530 ( -4.546 2.557 2.843) 5.941 13.949 ( 5.345 0.562 -8.420) 9.989 14.107 ( 5.953 -4.084 11.647) 13.703 14.350 ( 2.344 7.757 1.351) 8.215 14.527 ( 2.905 -2.797 6.481) 7.634 15.034 ( 2.993 -6.139 -7.127) 9.871 16.468 ( -21.750 3.840 -2.134) 22.190 16.846 ( -10.711 3.486 -5.391) 12.487 17.604 ( 4.031 -5.229 -2.706) 7.136 17.704 ( -4.242 -5.503 8.969) 11.345 20.666 ( -0.991 0.299 4.100) 4.229 21.529 ( -1.626 11.424 -7.919) 13.995 21.814 ( -0.853 -4.660 -2.961) 5.587 21.971 ( 3.947 -5.092 7.854) 10.159 ======================= Grid point 510 (257/260) ======================= q-point: ( 0.20 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 0.635 1.401 -7.267) 7.428 2.683 ( 1.306 0.668 2.292) 2.721 2.927 ( 2.062 1.837 0.260) 2.774 3.131 ( 0.459 -0.602 1.292) 1.497 3.813 ( -18.274 13.933 -0.442) 22.984 3.866 ( -16.957 13.188 -0.145) 21.483 4.229 ( -14.302 -13.171 5.810) 20.292 4.545 ( -16.551 -12.087 -11.107) 23.311 5.966 ( 12.436 5.876 9.436) 16.680 6.054 ( 3.814 3.442 -1.392) 5.323 6.186 ( -1.006 -0.402 -1.155) 1.583 6.572 ( 7.811 -0.111 0.980) 7.873 6.711 ( 5.493 -1.500 -3.191) 6.528 6.876 ( 3.223 -4.973 2.975) 6.631 8.219 ( 10.444 1.924 -13.214) 16.953 8.460 ( 13.497 1.454 11.143) 17.563 9.149 ( -9.902 7.297 -6.801) 14.055 9.363 ( -10.609 6.415 6.425) 13.964 10.161 ( 1.345 -1.437 8.589) 8.811 10.365 ( 0.839 -0.651 -9.254) 9.315 12.679 ( 4.786 -1.003 3.314) 5.907 13.450 ( -0.476 3.630 -11.739) 12.296 13.508 ( 0.693 0.852 2.708) 2.922 14.012 ( 1.965 1.323 -4.439) 5.031 14.255 ( 6.396 -0.928 9.755) 11.702 14.419 ( 3.476 7.976 5.702) 10.403 14.573 ( 1.574 -4.295 5.683) 7.295 15.080 ( -0.470 -4.511 -16.844) 17.444 16.064 ( -14.154 2.090 2.964) 14.611 16.553 ( -15.626 -0.274 -6.792) 17.041 17.477 ( -13.299 -1.497 9.740) 16.552 17.679 ( -1.954 -4.589 -2.647) 5.647 20.638 ( -1.729 0.325 6.480) 6.715 21.494 ( -1.287 6.812 -13.453) 15.135 21.807 ( -0.141 -4.682 2.373) 5.251 22.041 ( 2.485 -1.994 6.073) 6.858 ======================= Grid point 511 (258/260) ======================= q-point: ( 0.30 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 3.414 2.559 -6.964) 8.167 2.714 ( 1.688 2.252 2.936) 4.067 2.991 ( 4.162 -0.435 -2.081) 4.673 3.116 ( -2.946 -1.085 4.264) 5.295 3.457 ( -15.412 11.745 -0.070) 19.377 3.546 ( -12.366 11.217 -2.163) 16.835 3.920 ( -15.200 -13.502 6.832) 21.448 4.202 ( -16.501 -14.650 -9.328) 23.957 6.033 ( 2.813 1.552 -1.672) 3.622 6.241 ( 9.683 3.718 7.883) 13.029 6.281 ( 7.052 1.153 0.056) 7.145 6.691 ( 5.571 4.822 -0.904) 7.423 6.877 ( 9.122 -1.994 -0.383) 9.346 7.050 ( 10.469 -4.327 -1.582) 11.438 8.163 ( -13.889 2.733 -9.532) 17.066 8.465 ( -13.297 2.654 9.848) 16.758 9.187 ( 12.820 5.391 -6.333) 15.282 9.326 ( 6.815 2.429 6.201) 9.528 10.153 ( -2.309 1.218 9.588) 9.936 10.318 ( -5.071 0.466 -11.428) 12.511 12.799 ( 6.873 -0.483 4.996) 8.510 13.488 ( 3.966 5.082 -14.353) 15.734 13.562 ( 4.161 -0.362 4.561) 6.185 14.020 ( -2.308 2.915 5.173) 6.370 14.348 ( 2.370 1.795 0.838) 3.089 14.450 ( -0.211 4.193 9.428) 10.321 14.628 ( 3.895 -2.310 -2.221) 5.044 14.959 ( -9.054 -3.176 -19.243) 21.502 15.954 ( 0.567 -0.822 14.083) 14.119 16.279 ( -8.715 -1.744 -10.978) 14.125 17.156 ( -17.036 -1.195 9.649) 19.616 17.562 ( -8.853 -2.105 -3.631) 9.798 20.600 ( -1.949 0.149 6.087) 6.393 21.477 ( -0.152 2.439 -14.033) 14.244 21.799 ( -0.695 -3.193 5.145) 6.095 22.071 ( 0.460 -0.800 3.834) 3.944 ======================= Grid point 512 (259/260) ======================= q-point: ( 0.40 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( 5.200 4.810 -6.224) 9.430 2.754 ( 2.189 6.038 2.689) 6.963 2.972 ( -8.943 4.963 2.218) 10.466 3.094 ( 3.493 -1.368 -0.262) 3.760 3.200 ( -8.188 6.110 -0.063) 10.217 3.431 ( 0.467 -3.977 -0.517) 4.037 3.638 ( -11.450 -10.581 5.194) 16.433 3.885 ( -13.597 -12.747 -6.511) 19.742 6.170 ( 9.172 1.411 0.736) 9.309 6.387 ( 5.711 2.588 -0.012) 6.270 6.430 ( 5.176 1.752 3.944) 6.739 6.801 ( 4.512 3.172 -2.004) 5.868 7.031 ( 5.119 -0.514 3.146) 6.030 7.266 ( 10.651 -1.491 -6.442) 12.537 7.819 ( -15.777 2.130 -6.529) 17.206 8.101 ( -19.074 2.318 9.030) 21.231 9.468 ( 11.195 5.143 -7.720) 14.539 9.550 ( 13.654 0.252 8.575) 16.125 10.064 ( -6.929 3.215 9.241) 11.989 10.180 ( -6.836 0.874 -11.557) 13.456 12.955 ( 7.576 -0.217 4.332) 8.730 13.581 ( 3.885 7.177 -6.890) 10.681 13.654 ( 4.310 1.015 -0.929) 4.524 13.907 ( -7.088 3.254 6.090) 9.895 14.312 ( -4.991 0.854 -1.025) 5.167 14.496 ( 4.300 1.630 2.755) 5.361 14.704 ( 3.074 -1.051 -4.830) 5.821 14.809 ( -4.489 -2.662 -6.593) 8.409 15.914 ( -4.528 -3.003 8.659) 10.223 16.282 ( 7.107 -1.397 -5.997) 9.404 16.831 ( -13.572 -0.626 6.190) 14.930 17.359 ( -9.404 -0.685 -2.344) 9.716 20.566 ( -1.295 -0.222 3.538) 3.774 21.479 ( 0.322 -0.686 -9.279) 9.310 21.783 ( -0.810 -1.578 4.270) 4.623 22.070 ( -0.413 -0.459 1.878) 1.977 ======================= Grid point 513 (260/260) ======================= q-point: ( 0.50 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( 0.000 6.158 -0.000) 6.158 2.797 ( 0.000 8.835 -0.000) 8.835 2.825 ( -0.000 7.906 0.000) 7.906 3.047 ( -0.000 7.967 -0.000) 7.967 3.209 ( -0.000 -11.802 0.000) 11.802 3.439 ( -0.000 -11.552 -0.000) 11.552 3.531 ( 0.000 -8.723 0.000) 8.723 3.707 ( -0.000 -7.306 -0.000) 7.306 6.300 ( -0.000 1.704 0.000) 1.704 6.459 ( -0.000 2.114 0.000) 2.114 6.470 ( 0.000 2.153 -0.000) 2.153 6.851 ( -0.000 1.822 -0.000) 1.822 7.079 ( 0.000 0.219 0.000) 0.219 7.423 ( 0.000 0.625 -0.000) 0.625 7.645 ( -0.000 0.723 0.000) 0.723 7.834 ( -0.000 2.028 0.000) 2.028 9.590 ( -0.000 2.761 -0.000) 2.761 9.789 ( 0.000 1.338 0.000) 1.338 9.902 ( -0.000 3.501 -0.000) 3.501 10.099 ( -0.000 2.125 0.000) 2.125 13.052 ( -0.000 -0.793 0.000) 0.793 13.603 ( -0.000 10.344 -0.000) 10.344 13.716 ( -0.000 5.103 0.000) 5.103 13.824 ( -0.000 -1.587 -0.000) 1.587 14.240 ( -0.000 -0.100 0.000) 0.100 14.554 ( -0.000 -0.238 -0.000) 0.238 14.741 ( -0.000 -2.137 0.000) 2.137 14.760 ( 0.000 0.130 -0.000) 0.130 15.858 ( -0.000 -3.961 0.000) 3.961 16.399 ( -0.000 -0.948 0.000) 0.948 16.662 ( -0.000 -0.416 0.000) 0.416 17.247 ( -0.000 -0.144 0.000) 0.144 20.553 ( -0.000 -0.415 0.000) 0.415 21.482 ( -0.000 -1.923 -0.000) 1.923 21.774 ( -0.000 -0.788 0.000) 0.788 22.064 ( -0.000 -0.420 0.000) 0.420 =================== 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 3/32400 10.0 1694.559 1221.415 1509.613 0.000 202.940 0.000 3/32400 20.0 666.834 427.681 569.286 0.000 87.467 0.000 3/32400 30.0 305.934 175.382 250.995 0.000 29.898 0.000 3/32400 40.0 177.626 100.608 146.923 0.000 14.253 0.000 3/32400 50.0 118.547 67.846 99.727 0.000 8.475 0.000 3/32400 60.0 86.606 50.231 74.111 0.000 5.796 0.000 3/32400 70.0 67.344 39.517 58.472 0.000 4.315 0.000 3/32400 80.0 54.735 32.420 48.077 0.000 3.389 0.000 3/32400 90.0 45.930 27.412 40.709 0.000 2.760 0.000 3/32400 100.0 39.465 23.701 35.228 0.000 2.308 0.000 3/32400 110.0 34.525 20.845 30.995 0.000 1.970 0.000 3/32400 120.0 30.633 18.582 27.630 0.000 1.710 0.000 3/32400 130.0 27.493 16.745 24.896 0.000 1.506 0.000 3/32400 140.0 24.909 15.226 22.633 0.000 1.341 0.000 3/32400 150.0 22.749 13.951 20.732 0.000 1.207 0.000 3/32400 160.0 20.920 12.866 19.115 0.000 1.095 0.000 3/32400 170.0 19.354 11.934 17.726 0.000 1.001 0.000 3/32400 180.0 17.999 11.124 16.520 0.000 0.922 0.000 3/32400 190.0 16.817 10.415 15.465 0.000 0.853 0.000 3/32400 200.0 15.779 9.789 14.535 0.000 0.794 0.000 3/32400 210.0 14.859 9.234 13.710 0.000 0.742 0.000 3/32400 220.0 14.040 8.738 12.974 0.000 0.696 0.000 3/32400 230.0 13.306 8.292 12.313 0.000 0.656 0.000 3/32400 240.0 12.645 7.890 11.716 0.000 0.620 0.000 3/32400 250.0 12.047 7.525 11.175 0.000 0.587 0.000 3/32400 260.0 11.503 7.192 10.683 0.000 0.558 0.000 3/32400 270.0 11.007 6.888 10.232 0.000 0.532 0.000 3/32400 280.0 10.553 6.609 9.819 0.000 0.508 0.000 3/32400 290.0 10.135 6.352 9.438 0.000 0.486 0.000 3/32400 300.0 9.749 6.114 9.087 0.000 0.465 0.000 3/32400 310.0 9.392 5.894 8.761 0.000 0.447 0.000 3/32400 320.0 9.061 5.689 8.458 0.000 0.430 0.000 3/32400 330.0 8.753 5.499 8.176 0.000 0.414 0.000 3/32400 340.0 8.466 5.321 7.913 0.000 0.399 0.000 3/32400 350.0 8.197 5.154 7.666 0.000 0.386 0.000 3/32400 360.0 7.945 4.998 7.435 0.000 0.373 0.000 3/32400 370.0 7.708 4.851 7.217 0.000 0.361 0.000 3/32400 380.0 7.486 4.712 7.012 0.000 0.350 0.000 3/32400 390.0 7.276 4.582 6.819 0.000 0.340 0.000 3/32400 400.0 7.078 4.458 6.636 0.000 0.330 0.000 3/32400 410.0 6.891 4.341 6.464 0.000 0.320 0.000 3/32400 420.0 6.713 4.231 6.300 0.000 0.312 0.000 3/32400 430.0 6.545 4.126 6.144 0.000 0.303 0.000 3/32400 440.0 6.385 4.026 5.996 0.000 0.296 0.000 3/32400 450.0 6.233 3.931 5.855 0.000 0.288 0.000 3/32400 460.0 6.088 3.840 5.721 0.000 0.281 0.000 3/32400 470.0 5.950 3.754 5.593 0.000 0.274 0.000 3/32400 480.0 5.818 3.671 5.470 0.000 0.268 0.000 3/32400 490.0 5.692 3.592 5.353 0.000 0.262 0.000 3/32400 500.0 5.571 3.516 5.241 0.000 0.256 0.000 3/32400 510.0 5.456 3.444 5.134 0.000 0.250 0.000 3/32400 520.0 5.345 3.375 5.031 0.000 0.245 0.000 3/32400 530.0 5.239 3.308 4.932 0.000 0.240 0.000 3/32400 540.0 5.137 3.244 4.837 0.000 0.235 0.000 3/32400 550.0 5.039 3.182 4.745 0.000 0.231 0.000 3/32400 560.0 4.945 3.123 4.657 0.000 0.226 0.000 3/32400 570.0 4.854 3.066 4.573 0.000 0.222 0.000 3/32400 580.0 4.766 3.011 4.491 0.000 0.218 0.000 3/32400 590.0 4.682 2.958 4.412 0.000 0.214 0.000 3/32400 600.0 4.601 2.907 4.336 0.000 0.210 0.000 3/32400 610.0 4.522 2.858 4.263 0.000 0.206 0.000 3/32400 620.0 4.446 2.810 4.192 0.000 0.202 0.000 3/32400 630.0 4.373 2.764 4.124 0.000 0.199 0.000 3/32400 640.0 4.302 2.719 4.058 0.000 0.196 0.000 3/32400 650.0 4.234 2.676 3.993 0.000 0.192 0.000 3/32400 660.0 4.167 2.634 3.931 0.000 0.189 0.000 3/32400 670.0 4.103 2.594 3.871 0.000 0.186 0.000 3/32400 680.0 4.041 2.555 3.813 0.000 0.183 0.000 3/32400 690.0 3.980 2.517 3.756 0.000 0.181 0.000 3/32400 700.0 3.922 2.480 3.701 0.000 0.178 0.000 3/32400 710.0 3.865 2.444 3.648 0.000 0.175 0.000 3/32400 720.0 3.809 2.409 3.596 0.000 0.173 0.000 3/32400 730.0 3.756 2.375 3.546 0.000 0.170 0.000 3/32400 740.0 3.704 2.342 3.497 0.000 0.168 0.000 3/32400 750.0 3.653 2.310 3.449 0.000 0.165 0.000 3/32400 760.0 3.604 2.279 3.403 0.000 0.163 0.000 3/32400 770.0 3.556 2.249 3.358 0.000 0.161 0.000 3/32400 780.0 3.509 2.220 3.314 0.000 0.159 0.000 3/32400 790.0 3.463 2.191 3.271 0.000 0.157 0.000 3/32400 800.0 3.419 2.163 3.229 0.000 0.155 0.000 3/32400 810.0 3.376 2.136 3.189 0.000 0.153 0.000 3/32400 820.0 3.334 2.109 3.149 0.000 0.151 0.000 3/32400 830.0 3.293 2.083 3.111 0.000 0.149 0.000 3/32400 840.0 3.253 2.058 3.073 0.000 0.147 0.000 3/32400 850.0 3.213 2.033 3.036 0.000 0.145 0.000 3/32400 860.0 3.175 2.009 3.001 0.000 0.143 0.000 3/32400 870.0 3.138 1.986 2.966 0.000 0.142 0.000 3/32400 880.0 3.102 1.963 2.931 0.000 0.140 0.000 3/32400 890.0 3.066 1.940 2.898 0.000 0.138 0.000 3/32400 900.0 3.032 1.918 2.865 0.000 0.137 0.000 3/32400 910.0 2.998 1.897 2.833 0.000 0.135 0.000 3/32400 920.0 2.964 1.876 2.802 0.000 0.134 0.000 3/32400 930.0 2.932 1.856 2.772 0.000 0.132 0.000 3/32400 940.0 2.900 1.835 2.742 0.000 0.131 0.000 3/32400 950.0 2.869 1.816 2.713 0.000 0.129 0.000 3/32400 960.0 2.839 1.797 2.684 0.000 0.128 0.000 3/32400 970.0 2.809 1.778 2.656 0.000 0.127 0.000 3/32400 980.0 2.780 1.760 2.628 0.000 0.125 0.000 3/32400 990.0 2.751 1.742 2.602 0.000 0.124 0.000 3/32400 1000.0 2.724 1.724 2.575 0.000 0.123 0.000 3/32400 Thermal conductivity related properties were written into "kappa-m10910.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:33:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|