----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:53:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.872866660314071 -1.965463270000000 0.000000000000000 b 4.872866660314071 1.965463270000000 0.000000000000000 c -2.863780011382091 0.000000000000000 9.556472986155732 Atomic positions (fractional): *1 Sm 0.78063582575349 0.78063582575349 0.29629375459956 150.360 2 Sm 0.21936417424651 0.21936417424651 0.70370624540044 150.360 *3 Ti 0.37942799130875 0.37942799130875 0.06653573869982 47.867 4 Ti 0.62057200869125 0.62057200869125 0.93346426130018 47.867 *5 Cl 0.11273121075578 0.11273121075578 0.40305875983262 35.453 6 Cl 0.88726878924422 0.88726878924422 0.59694124016738 35.453 *7 O 0.83190781459880 0.83190781459880 0.06267443724869 15.999 *8 O 0.35371248809656 0.35371248809656 0.24451820987170 15.999 9 O 0.16809218540120 0.16809218540120 0.93732556275131 15.999 *10 O 0.57724433834794 0.57724433834794 0.12203646828055 15.999 11 O 0.64628751190344 0.64628751190344 0.75548179012830 15.999 12 O 0.42275566165206 0.42275566165206 0.87796353171945 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.745733320628142 0.000000000000000 0.000000000000000 b 0.000000000000000 3.930926540000000 0.000000000000000 c -2.863780011382091 0.000000000000000 9.556472986155732 Atomic positions (fractional): *1 Sm 0.78063582575349 0.00000000000000 0.29629375459956 150.360 > 1 2 Sm 0.21936417424651 0.00000000000000 0.70370624540044 150.360 > 2 3 Sm 0.28063582575349 0.50000000000000 0.29629375459956 150.360 > 1 4 Sm 0.71936417424651 0.50000000000000 0.70370624540044 150.360 > 2 *5 Ti 0.87942799130875 0.50000000000000 0.06653573869982 47.867 > 3 6 Ti 0.12057200869125 0.50000000000000 0.93346426130018 47.867 > 4 7 Ti 0.37942799130875 0.00000000000000 0.06653573869982 47.867 > 3 8 Ti 0.62057200869125 0.00000000000000 0.93346426130018 47.867 > 4 *9 Cl 0.11273121075578 0.00000000000000 0.40305875983262 35.453 > 5 10 Cl 0.88726878924422 0.00000000000000 0.59694124016738 35.453 > 6 11 Cl 0.61273121075578 0.50000000000000 0.40305875983262 35.453 > 5 12 Cl 0.38726878924422 0.50000000000000 0.59694124016738 35.453 > 6 *13 O 0.83190781459880 0.00000000000000 0.06267443724869 15.999 > 7 *14 O 0.85371248809656 0.50000000000000 0.24451820987170 15.999 > 8 15 O 0.16809218540120 0.00000000000000 0.93732556275131 15.999 > 9 *16 O 0.57724433834794 0.00000000000000 0.12203646828055 15.999 > 10 17 O 0.14628751190344 0.50000000000000 0.75548179012830 15.999 > 11 18 O 0.42275566165206 0.00000000000000 0.87796353171945 15.999 > 12 19 O 0.33190781459880 0.50000000000000 0.06267443724869 15.999 > 7 20 O 0.35371248809656 0.00000000000000 0.24451820987170 15.999 > 8 21 O 0.66809218540120 0.50000000000000 0.93732556275131 15.999 > 9 22 O 0.07724433834794 0.50000000000000 0.12203646828055 15.999 > 10 23 O 0.64628751190344 0.00000000000000 0.75548179012830 15.999 > 11 24 O 0.92275566165206 0.50000000000000 0.87796353171945 15.999 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 19.491466641256284 0.000000000000000 0.000000000000000 b 0.000000000000000 11.792779620000001 0.000000000000000 c -2.863780011382091 0.000000000000000 9.556472986155732 Atomic positions (fractional): *1 Sm 0.39031791287674 0.00000000000000 0.29629375459956 150.360 > 1 2 Sm 0.89031791287674 0.00000000000000 0.29629375459956 150.360 > 1 3 Sm 0.39031791287674 0.33333333333333 0.29629375459956 150.360 > 1 4 Sm 0.89031791287674 0.33333333333333 0.29629375459956 150.360 > 1 5 Sm 0.39031791287674 0.66666666666667 0.29629375459956 150.360 > 1 6 Sm 0.89031791287674 0.66666666666667 0.29629375459956 150.360 > 1 7 Sm 0.10968208712326 0.00000000000000 0.70370624540044 150.360 > 2 8 Sm 0.60968208712326 0.00000000000000 0.70370624540044 150.360 > 2 9 Sm 0.10968208712326 0.33333333333333 0.70370624540044 150.360 > 2 10 Sm 0.60968208712326 0.33333333333333 0.70370624540044 150.360 > 2 11 Sm 0.10968208712326 0.66666666666667 0.70370624540044 150.360 > 2 12 Sm 0.60968208712326 0.66666666666667 0.70370624540044 150.360 > 2 13 Sm 0.14031791287674 0.16666666666667 0.29629375459956 150.360 > 1 14 Sm 0.64031791287674 0.16666666666667 0.29629375459956 150.360 > 1 15 Sm 0.14031791287674 0.50000000000000 0.29629375459956 150.360 > 1 16 Sm 0.64031791287674 0.50000000000000 0.29629375459956 150.360 > 1 17 Sm 0.14031791287674 0.83333333333333 0.29629375459956 150.360 > 1 18 Sm 0.64031791287674 0.83333333333333 0.29629375459956 150.360 > 1 19 Sm 0.35968208712326 0.16666666666667 0.70370624540044 150.360 > 2 20 Sm 0.85968208712326 0.16666666666667 0.70370624540044 150.360 > 2 21 Sm 0.35968208712326 0.50000000000000 0.70370624540044 150.360 > 2 22 Sm 0.85968208712326 0.50000000000000 0.70370624540044 150.360 > 2 23 Sm 0.35968208712326 0.83333333333333 0.70370624540044 150.360 > 2 24 Sm 0.85968208712326 0.83333333333333 0.70370624540044 150.360 > 2 *25 Ti 0.43971399565438 0.16666666666667 0.06653573869982 47.867 > 3 26 Ti 0.93971399565438 0.16666666666667 0.06653573869982 47.867 > 3 27 Ti 0.43971399565438 0.50000000000000 0.06653573869982 47.867 > 3 28 Ti 0.93971399565438 0.50000000000000 0.06653573869982 47.867 > 3 29 Ti 0.43971399565438 0.83333333333333 0.06653573869982 47.867 > 3 30 Ti 0.93971399565438 0.83333333333333 0.06653573869982 47.867 > 3 31 Ti 0.06028600434562 0.16666666666667 0.93346426130018 47.867 > 4 32 Ti 0.56028600434562 0.16666666666667 0.93346426130018 47.867 > 4 33 Ti 0.06028600434562 0.50000000000000 0.93346426130018 47.867 > 4 34 Ti 0.56028600434562 0.50000000000000 0.93346426130018 47.867 > 4 35 Ti 0.06028600434562 0.83333333333333 0.93346426130018 47.867 > 4 36 Ti 0.56028600434562 0.83333333333333 0.93346426130018 47.867 > 4 37 Ti 0.18971399565438 0.00000000000000 0.06653573869982 47.867 > 3 38 Ti 0.68971399565438 0.00000000000000 0.06653573869982 47.867 > 3 39 Ti 0.18971399565438 0.33333333333333 0.06653573869982 47.867 > 3 40 Ti 0.68971399565438 0.33333333333333 0.06653573869982 47.867 > 3 41 Ti 0.18971399565438 0.66666666666667 0.06653573869982 47.867 > 3 42 Ti 0.68971399565438 0.66666666666667 0.06653573869982 47.867 > 3 43 Ti 0.31028600434562 0.00000000000000 0.93346426130018 47.867 > 4 44 Ti 0.81028600434562 0.00000000000000 0.93346426130018 47.867 > 4 45 Ti 0.31028600434562 0.33333333333333 0.93346426130018 47.867 > 4 46 Ti 0.81028600434562 0.33333333333333 0.93346426130018 47.867 > 4 47 Ti 0.31028600434562 0.66666666666667 0.93346426130018 47.867 > 4 48 Ti 0.81028600434562 0.66666666666667 0.93346426130018 47.867 > 4 *49 Cl 0.05636560537789 0.00000000000000 0.40305875983262 35.453 > 5 50 Cl 0.55636560537789 0.00000000000000 0.40305875983262 35.453 > 5 51 Cl 0.05636560537789 0.33333333333333 0.40305875983262 35.453 > 5 52 Cl 0.55636560537789 0.33333333333333 0.40305875983262 35.453 > 5 53 Cl 0.05636560537789 0.66666666666667 0.40305875983262 35.453 > 5 54 Cl 0.55636560537789 0.66666666666667 0.40305875983262 35.453 > 5 55 Cl 0.44363439462211 0.00000000000000 0.59694124016738 35.453 > 6 56 Cl 0.94363439462211 0.00000000000000 0.59694124016738 35.453 > 6 57 Cl 0.44363439462211 0.33333333333333 0.59694124016738 35.453 > 6 58 Cl 0.94363439462211 0.33333333333333 0.59694124016738 35.453 > 6 59 Cl 0.44363439462211 0.66666666666667 0.59694124016738 35.453 > 6 60 Cl 0.94363439462211 0.66666666666667 0.59694124016738 35.453 > 6 61 Cl 0.30636560537789 0.16666666666667 0.40305875983262 35.453 > 5 62 Cl 0.80636560537789 0.16666666666667 0.40305875983262 35.453 > 5 63 Cl 0.30636560537789 0.50000000000000 0.40305875983262 35.453 > 5 64 Cl 0.80636560537789 0.50000000000000 0.40305875983262 35.453 > 5 65 Cl 0.30636560537789 0.83333333333333 0.40305875983262 35.453 > 5 66 Cl 0.80636560537789 0.83333333333333 0.40305875983262 35.453 > 5 67 Cl 0.19363439462211 0.16666666666667 0.59694124016738 35.453 > 6 68 Cl 0.69363439462211 0.16666666666667 0.59694124016738 35.453 > 6 69 Cl 0.19363439462211 0.50000000000000 0.59694124016738 35.453 > 6 70 Cl 0.69363439462211 0.50000000000000 0.59694124016738 35.453 > 6 71 Cl 0.19363439462211 0.83333333333333 0.59694124016738 35.453 > 6 72 Cl 0.69363439462211 0.83333333333333 0.59694124016738 35.453 > 6 *73 O 0.41595390729940 0.00000000000000 0.06267443724869 15.999 > 7 74 O 0.91595390729940 0.00000000000000 0.06267443724869 15.999 > 7 75 O 0.41595390729940 0.33333333333333 0.06267443724869 15.999 > 7 76 O 0.91595390729940 0.33333333333333 0.06267443724869 15.999 > 7 77 O 0.41595390729940 0.66666666666667 0.06267443724869 15.999 > 7 78 O 0.91595390729940 0.66666666666667 0.06267443724869 15.999 > 7 *79 O 0.42685624404828 0.16666666666667 0.24451820987170 15.999 > 8 80 O 0.92685624404828 0.16666666666667 0.24451820987170 15.999 > 8 81 O 0.42685624404828 0.50000000000000 0.24451820987170 15.999 > 8 82 O 0.92685624404828 0.50000000000000 0.24451820987170 15.999 > 8 83 O 0.42685624404828 0.83333333333333 0.24451820987170 15.999 > 8 84 O 0.92685624404828 0.83333333333333 0.24451820987170 15.999 > 8 85 O 0.08404609270060 0.00000000000000 0.93732556275131 15.999 > 9 86 O 0.58404609270060 0.00000000000000 0.93732556275131 15.999 > 9 87 O 0.08404609270060 0.33333333333333 0.93732556275131 15.999 > 9 88 O 0.58404609270060 0.33333333333333 0.93732556275131 15.999 > 9 89 O 0.08404609270060 0.66666666666667 0.93732556275131 15.999 > 9 90 O 0.58404609270060 0.66666666666667 0.93732556275131 15.999 > 9 *91 O 0.28862216917397 0.00000000000000 0.12203646828055 15.999 > 10 92 O 0.78862216917397 0.00000000000000 0.12203646828055 15.999 > 10 93 O 0.28862216917397 0.33333333333333 0.12203646828055 15.999 > 10 94 O 0.78862216917397 0.33333333333333 0.12203646828055 15.999 > 10 95 O 0.28862216917397 0.66666666666667 0.12203646828055 15.999 > 10 96 O 0.78862216917397 0.66666666666667 0.12203646828055 15.999 > 10 97 O 0.07314375595172 0.16666666666667 0.75548179012830 15.999 > 11 98 O 0.57314375595172 0.16666666666667 0.75548179012830 15.999 > 11 99 O 0.07314375595172 0.50000000000000 0.75548179012830 15.999 > 11 100 O 0.57314375595172 0.50000000000000 0.75548179012830 15.999 > 11 101 O 0.07314375595172 0.83333333333333 0.75548179012830 15.999 > 11 102 O 0.57314375595172 0.83333333333333 0.75548179012830 15.999 > 11 103 O 0.21137783082603 0.00000000000000 0.87796353171945 15.999 > 12 104 O 0.71137783082603 0.00000000000000 0.87796353171945 15.999 > 12 105 O 0.21137783082603 0.33333333333333 0.87796353171945 15.999 > 12 106 O 0.71137783082603 0.33333333333333 0.87796353171945 15.999 > 12 107 O 0.21137783082603 0.66666666666667 0.87796353171945 15.999 > 12 108 O 0.71137783082603 0.66666666666667 0.87796353171945 15.999 > 12 109 O 0.16595390729940 0.16666666666667 0.06267443724869 15.999 > 7 110 O 0.66595390729940 0.16666666666667 0.06267443724869 15.999 > 7 111 O 0.16595390729940 0.50000000000000 0.06267443724869 15.999 > 7 112 O 0.66595390729940 0.50000000000000 0.06267443724869 15.999 > 7 113 O 0.16595390729940 0.83333333333333 0.06267443724869 15.999 > 7 114 O 0.66595390729940 0.83333333333333 0.06267443724869 15.999 > 7 115 O 0.17685624404828 0.00000000000000 0.24451820987170 15.999 > 8 116 O 0.67685624404828 0.00000000000000 0.24451820987170 15.999 > 8 117 O 0.17685624404828 0.33333333333333 0.24451820987170 15.999 > 8 118 O 0.67685624404828 0.33333333333333 0.24451820987170 15.999 > 8 119 O 0.17685624404828 0.66666666666667 0.24451820987170 15.999 > 8 120 O 0.67685624404828 0.66666666666667 0.24451820987170 15.999 > 8 121 O 0.33404609270060 0.16666666666667 0.93732556275131 15.999 > 9 122 O 0.83404609270060 0.16666666666667 0.93732556275131 15.999 > 9 123 O 0.33404609270060 0.50000000000000 0.93732556275131 15.999 > 9 124 O 0.83404609270060 0.50000000000000 0.93732556275131 15.999 > 9 125 O 0.33404609270060 0.83333333333333 0.93732556275131 15.999 > 9 126 O 0.83404609270060 0.83333333333333 0.93732556275131 15.999 > 9 127 O 0.03862216917397 0.16666666666667 0.12203646828055 15.999 > 10 128 O 0.53862216917397 0.16666666666667 0.12203646828055 15.999 > 10 129 O 0.03862216917397 0.50000000000000 0.12203646828055 15.999 > 10 130 O 0.53862216917397 0.50000000000000 0.12203646828055 15.999 > 10 131 O 0.03862216917397 0.83333333333333 0.12203646828055 15.999 > 10 132 O 0.53862216917397 0.83333333333333 0.12203646828055 15.999 > 10 133 O 0.32314375595172 0.00000000000000 0.75548179012830 15.999 > 11 134 O 0.82314375595172 0.00000000000000 0.75548179012830 15.999 > 11 135 O 0.32314375595172 0.33333333333333 0.75548179012830 15.999 > 11 136 O 0.82314375595172 0.33333333333333 0.75548179012830 15.999 > 11 137 O 0.32314375595172 0.66666666666667 0.75548179012830 15.999 > 11 138 O 0.82314375595172 0.66666666666667 0.75548179012830 15.999 > 11 139 O 0.46137783082603 0.16666666666667 0.87796353171945 15.999 > 12 140 O 0.96137783082603 0.16666666666667 0.87796353171945 15.999 > 12 141 O 0.46137783082603 0.50000000000000 0.87796353171945 15.999 > 12 142 O 0.96137783082603 0.50000000000000 0.87796353171945 15.999 > 12 143 O 0.46137783082603 0.83333333333333 0.87796353171945 15.999 > 12 144 O 0.96137783082603 0.83333333333333 0.87796353171945 15.999 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8919626 0.0000000 -0.1365927 0.0000000 4.8614523 0.0000000 -0.1365905 0.0000000 4.4492336 -------------------------- Born effective charges -------------------------- 1 Sm 3.7778149 0.0000000 0.4058717 0.0000000 4.3377769 0.0000000 0.0237948 0.0000000 4.2098481 2 Sm 3.7778149 0.0000000 0.4058717 0.0000000 4.3377769 0.0000000 0.0237948 0.0000000 4.2098481 3 Ti 6.0575420 0.0000000 -0.8375902 0.0000000 5.5963147 0.0000000 -0.3419513 0.0000000 3.9406172 4 Ti 6.0575420 0.0000000 -0.8375902 0.0000000 5.5963147 0.0000000 -0.3419513 0.0000000 3.9406172 5 Cl -1.3594720 0.0000000 0.0489828 0.0000000 -1.1038202 0.0000000 0.0820247 0.0000000 -1.6372942 6 Cl -1.3594720 0.0000000 0.0489828 0.0000000 -1.1038202 0.0000000 0.0820247 0.0000000 -1.6372942 7 O -2.1253400 0.0000000 -0.3182039 0.0000000 -4.5254589 0.0000000 -0.3358642 0.0000000 -1.4883499 8 O -1.9816660 0.0000000 1.2364296 0.0000000 -3.3040293 0.0000000 0.9269983 0.0000000 -2.6124889 9 O -2.1253400 0.0000000 -0.3182039 0.0000000 -4.5254589 0.0000000 -0.3358642 0.0000000 -1.4883499 10 O -4.3688790 0.0000000 -0.5354900 0.0000000 -1.0007833 0.0000000 -0.3550023 0.0000000 -2.4123323 11 O -1.9816660 0.0000000 1.2364296 0.0000000 -3.3040293 0.0000000 0.9269983 0.0000000 -2.6124889 12 O -4.3688790 0.0000000 -0.5354900 0.0000000 -1.0007833 0.0000000 -0.3550023 0.0000000 -2.4123323 ---------------------------------------------------------------------------- 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: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2124 Number of blocks in projector: 2124 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 69 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2124, 2095), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 18), data: (576, 29) @ (29, 18) |-- (76, 69), data: True |-- (250, 239), data: True |-- (250, 239), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.011 Solver_block: 100 / 400 - Time: 0.882 Solver_block: 200 / 400 - Time: 0.782 Solver_block: 300 / 400 - Time: 0.816 Solver_block: 400 / 400 - Time: 0.797 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.645 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2124 Number of blocks in projector: 2124 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 69 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2124, 2095), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 18), data: (576, 29) @ (29, 18) |-- (76, 69), data: True |-- (250, 239), data: True |-- (250, 239), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:54:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:54:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.872866660314071 -1.965463270000000 0.000000000000000 b 4.872866660314071 1.965463270000000 0.000000000000000 c -2.863780011382091 0.000000000000000 9.556472986155732 Atomic positions (fractional): 1 Sm 0.78063582575349 0.78063582575349 0.29629375459956 150.360 2 Sm 0.21936417424651 0.21936417424651 0.70370624540044 150.360 3 Ti 0.37942799130875 0.37942799130875 0.06653573869982 47.867 4 Ti 0.62057200869125 0.62057200869125 0.93346426130018 47.867 5 Cl 0.11273121075578 0.11273121075578 0.40305875983262 35.453 6 Cl 0.88726878924422 0.88726878924422 0.59694124016738 35.453 7 O 0.83190781459880 0.83190781459880 0.06267443724869 15.999 8 O 0.35371248809656 0.35371248809656 0.24451820987170 15.999 9 O 0.16809218540120 0.16809218540120 0.93732556275131 15.999 10 O 0.57724433834794 0.57724433834794 0.12203646828055 15.999 11 O 0.64628751190344 0.64628751190344 0.75548179012830 15.999 12 O 0.42275566165206 0.42275566165206 0.87796353171945 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 19.491466641256284 0.000000000000000 0.000000000000000 b 0.000000000000000 11.792779620000001 0.000000000000000 c -2.863780011382091 0.000000000000000 9.556472986155732 Atomic positions (fractional): 1 Sm 0.39031791287674 0.00000000000000 0.29629375459956 150.360 > 1 2 Sm 0.89031791287674 0.00000000000000 0.29629375459956 150.360 > 1 3 Sm 0.39031791287674 0.33333333333333 0.29629375459956 150.360 > 1 4 Sm 0.89031791287674 0.33333333333333 0.29629375459956 150.360 > 1 5 Sm 0.39031791287674 0.66666666666667 0.29629375459956 150.360 > 1 6 Sm 0.89031791287674 0.66666666666667 0.29629375459956 150.360 > 1 7 Sm 0.10968208712326 0.00000000000000 0.70370624540044 150.360 > 7 8 Sm 0.60968208712326 0.00000000000000 0.70370624540044 150.360 > 7 9 Sm 0.10968208712326 0.33333333333333 0.70370624540044 150.360 > 7 10 Sm 0.60968208712326 0.33333333333333 0.70370624540044 150.360 > 7 11 Sm 0.10968208712326 0.66666666666667 0.70370624540044 150.360 > 7 12 Sm 0.60968208712326 0.66666666666667 0.70370624540044 150.360 > 7 13 Sm 0.14031791287674 0.16666666666667 0.29629375459956 150.360 > 1 14 Sm 0.64031791287674 0.16666666666667 0.29629375459956 150.360 > 1 15 Sm 0.14031791287674 0.50000000000000 0.29629375459956 150.360 > 1 16 Sm 0.64031791287674 0.50000000000000 0.29629375459956 150.360 > 1 17 Sm 0.14031791287674 0.83333333333333 0.29629375459956 150.360 > 1 18 Sm 0.64031791287674 0.83333333333333 0.29629375459956 150.360 > 1 19 Sm 0.35968208712326 0.16666666666667 0.70370624540044 150.360 > 7 20 Sm 0.85968208712326 0.16666666666667 0.70370624540044 150.360 > 7 21 Sm 0.35968208712326 0.50000000000000 0.70370624540044 150.360 > 7 22 Sm 0.85968208712326 0.50000000000000 0.70370624540044 150.360 > 7 23 Sm 0.35968208712326 0.83333333333333 0.70370624540044 150.360 > 7 24 Sm 0.85968208712326 0.83333333333333 0.70370624540044 150.360 > 7 25 Ti 0.43971399565438 0.16666666666667 0.06653573869982 47.867 > 25 26 Ti 0.93971399565438 0.16666666666667 0.06653573869982 47.867 > 25 27 Ti 0.43971399565438 0.50000000000000 0.06653573869982 47.867 > 25 28 Ti 0.93971399565438 0.50000000000000 0.06653573869982 47.867 > 25 29 Ti 0.43971399565438 0.83333333333333 0.06653573869982 47.867 > 25 30 Ti 0.93971399565438 0.83333333333333 0.06653573869982 47.867 > 25 31 Ti 0.06028600434562 0.16666666666667 0.93346426130018 47.867 > 31 32 Ti 0.56028600434562 0.16666666666667 0.93346426130018 47.867 > 31 33 Ti 0.06028600434562 0.50000000000000 0.93346426130018 47.867 > 31 34 Ti 0.56028600434562 0.50000000000000 0.93346426130018 47.867 > 31 35 Ti 0.06028600434562 0.83333333333333 0.93346426130018 47.867 > 31 36 Ti 0.56028600434562 0.83333333333333 0.93346426130018 47.867 > 31 37 Ti 0.18971399565438 0.00000000000000 0.06653573869982 47.867 > 25 38 Ti 0.68971399565438 0.00000000000000 0.06653573869982 47.867 > 25 39 Ti 0.18971399565438 0.33333333333333 0.06653573869982 47.867 > 25 40 Ti 0.68971399565438 0.33333333333333 0.06653573869982 47.867 > 25 41 Ti 0.18971399565438 0.66666666666667 0.06653573869982 47.867 > 25 42 Ti 0.68971399565438 0.66666666666667 0.06653573869982 47.867 > 25 43 Ti 0.31028600434562 0.00000000000000 0.93346426130018 47.867 > 31 44 Ti 0.81028600434562 0.00000000000000 0.93346426130018 47.867 > 31 45 Ti 0.31028600434562 0.33333333333333 0.93346426130018 47.867 > 31 46 Ti 0.81028600434562 0.33333333333333 0.93346426130018 47.867 > 31 47 Ti 0.31028600434562 0.66666666666667 0.93346426130018 47.867 > 31 48 Ti 0.81028600434562 0.66666666666667 0.93346426130018 47.867 > 31 49 Cl 0.05636560537789 0.00000000000000 0.40305875983262 35.453 > 49 50 Cl 0.55636560537789 0.00000000000000 0.40305875983262 35.453 > 49 51 Cl 0.05636560537789 0.33333333333333 0.40305875983262 35.453 > 49 52 Cl 0.55636560537789 0.33333333333333 0.40305875983262 35.453 > 49 53 Cl 0.05636560537789 0.66666666666667 0.40305875983262 35.453 > 49 54 Cl 0.55636560537789 0.66666666666667 0.40305875983262 35.453 > 49 55 Cl 0.44363439462211 0.00000000000000 0.59694124016738 35.453 > 55 56 Cl 0.94363439462211 0.00000000000000 0.59694124016738 35.453 > 55 57 Cl 0.44363439462211 0.33333333333333 0.59694124016738 35.453 > 55 58 Cl 0.94363439462211 0.33333333333333 0.59694124016738 35.453 > 55 59 Cl 0.44363439462211 0.66666666666667 0.59694124016738 35.453 > 55 60 Cl 0.94363439462211 0.66666666666667 0.59694124016738 35.453 > 55 61 Cl 0.30636560537789 0.16666666666667 0.40305875983262 35.453 > 49 62 Cl 0.80636560537789 0.16666666666667 0.40305875983262 35.453 > 49 63 Cl 0.30636560537789 0.50000000000000 0.40305875983262 35.453 > 49 64 Cl 0.80636560537789 0.50000000000000 0.40305875983262 35.453 > 49 65 Cl 0.30636560537789 0.83333333333333 0.40305875983262 35.453 > 49 66 Cl 0.80636560537789 0.83333333333333 0.40305875983262 35.453 > 49 67 Cl 0.19363439462211 0.16666666666667 0.59694124016738 35.453 > 55 68 Cl 0.69363439462211 0.16666666666667 0.59694124016738 35.453 > 55 69 Cl 0.19363439462211 0.50000000000000 0.59694124016738 35.453 > 55 70 Cl 0.69363439462211 0.50000000000000 0.59694124016738 35.453 > 55 71 Cl 0.19363439462211 0.83333333333333 0.59694124016738 35.453 > 55 72 Cl 0.69363439462211 0.83333333333333 0.59694124016738 35.453 > 55 73 O 0.41595390729940 0.00000000000000 0.06267443724869 15.999 > 73 74 O 0.91595390729940 0.00000000000000 0.06267443724869 15.999 > 73 75 O 0.41595390729940 0.33333333333333 0.06267443724869 15.999 > 73 76 O 0.91595390729940 0.33333333333333 0.06267443724869 15.999 > 73 77 O 0.41595390729940 0.66666666666667 0.06267443724869 15.999 > 73 78 O 0.91595390729940 0.66666666666667 0.06267443724869 15.999 > 73 79 O 0.42685624404828 0.16666666666667 0.24451820987170 15.999 > 79 80 O 0.92685624404828 0.16666666666667 0.24451820987170 15.999 > 79 81 O 0.42685624404828 0.50000000000000 0.24451820987170 15.999 > 79 82 O 0.92685624404828 0.50000000000000 0.24451820987170 15.999 > 79 83 O 0.42685624404828 0.83333333333333 0.24451820987170 15.999 > 79 84 O 0.92685624404828 0.83333333333333 0.24451820987170 15.999 > 79 85 O 0.08404609270060 0.00000000000000 0.93732556275131 15.999 > 85 86 O 0.58404609270060 0.00000000000000 0.93732556275131 15.999 > 85 87 O 0.08404609270060 0.33333333333333 0.93732556275131 15.999 > 85 88 O 0.58404609270060 0.33333333333333 0.93732556275131 15.999 > 85 89 O 0.08404609270060 0.66666666666667 0.93732556275131 15.999 > 85 90 O 0.58404609270060 0.66666666666667 0.93732556275131 15.999 > 85 91 O 0.28862216917397 0.00000000000000 0.12203646828055 15.999 > 91 92 O 0.78862216917397 0.00000000000000 0.12203646828055 15.999 > 91 93 O 0.28862216917397 0.33333333333333 0.12203646828055 15.999 > 91 94 O 0.78862216917397 0.33333333333333 0.12203646828055 15.999 > 91 95 O 0.28862216917397 0.66666666666667 0.12203646828055 15.999 > 91 96 O 0.78862216917397 0.66666666666667 0.12203646828055 15.999 > 91 97 O 0.07314375595172 0.16666666666667 0.75548179012830 15.999 > 97 98 O 0.57314375595172 0.16666666666667 0.75548179012830 15.999 > 97 99 O 0.07314375595172 0.50000000000000 0.75548179012830 15.999 > 97 100 O 0.57314375595172 0.50000000000000 0.75548179012830 15.999 > 97 101 O 0.07314375595172 0.83333333333333 0.75548179012830 15.999 > 97 102 O 0.57314375595172 0.83333333333333 0.75548179012830 15.999 > 97 103 O 0.21137783082603 0.00000000000000 0.87796353171945 15.999 > 103 104 O 0.71137783082603 0.00000000000000 0.87796353171945 15.999 > 103 105 O 0.21137783082603 0.33333333333333 0.87796353171945 15.999 > 103 106 O 0.71137783082603 0.33333333333333 0.87796353171945 15.999 > 103 107 O 0.21137783082603 0.66666666666667 0.87796353171945 15.999 > 103 108 O 0.71137783082603 0.66666666666667 0.87796353171945 15.999 > 103 109 O 0.16595390729940 0.16666666666667 0.06267443724869 15.999 > 73 110 O 0.66595390729940 0.16666666666667 0.06267443724869 15.999 > 73 111 O 0.16595390729940 0.50000000000000 0.06267443724869 15.999 > 73 112 O 0.66595390729940 0.50000000000000 0.06267443724869 15.999 > 73 113 O 0.16595390729940 0.83333333333333 0.06267443724869 15.999 > 73 114 O 0.66595390729940 0.83333333333333 0.06267443724869 15.999 > 73 115 O 0.17685624404828 0.00000000000000 0.24451820987170 15.999 > 79 116 O 0.67685624404828 0.00000000000000 0.24451820987170 15.999 > 79 117 O 0.17685624404828 0.33333333333333 0.24451820987170 15.999 > 79 118 O 0.67685624404828 0.33333333333333 0.24451820987170 15.999 > 79 119 O 0.17685624404828 0.66666666666667 0.24451820987170 15.999 > 79 120 O 0.67685624404828 0.66666666666667 0.24451820987170 15.999 > 79 121 O 0.33404609270060 0.16666666666667 0.93732556275131 15.999 > 85 122 O 0.83404609270060 0.16666666666667 0.93732556275131 15.999 > 85 123 O 0.33404609270060 0.50000000000000 0.93732556275131 15.999 > 85 124 O 0.83404609270060 0.50000000000000 0.93732556275131 15.999 > 85 125 O 0.33404609270060 0.83333333333333 0.93732556275131 15.999 > 85 126 O 0.83404609270060 0.83333333333333 0.93732556275131 15.999 > 85 127 O 0.03862216917397 0.16666666666667 0.12203646828055 15.999 > 91 128 O 0.53862216917397 0.16666666666667 0.12203646828055 15.999 > 91 129 O 0.03862216917397 0.50000000000000 0.12203646828055 15.999 > 91 130 O 0.53862216917397 0.50000000000000 0.12203646828055 15.999 > 91 131 O 0.03862216917397 0.83333333333333 0.12203646828055 15.999 > 91 132 O 0.53862216917397 0.83333333333333 0.12203646828055 15.999 > 91 133 O 0.32314375595172 0.00000000000000 0.75548179012830 15.999 > 97 134 O 0.82314375595172 0.00000000000000 0.75548179012830 15.999 > 97 135 O 0.32314375595172 0.33333333333333 0.75548179012830 15.999 > 97 136 O 0.82314375595172 0.33333333333333 0.75548179012830 15.999 > 97 137 O 0.32314375595172 0.66666666666667 0.75548179012830 15.999 > 97 138 O 0.82314375595172 0.66666666666667 0.75548179012830 15.999 > 97 139 O 0.46137783082603 0.16666666666667 0.87796353171945 15.999 > 103 140 O 0.96137783082603 0.16666666666667 0.87796353171945 15.999 > 103 141 O 0.46137783082603 0.50000000000000 0.87796353171945 15.999 > 103 142 O 0.96137783082603 0.50000000000000 0.87796353171945 15.999 > 103 143 O 0.46137783082603 0.83333333333333 0.87796353171945 15.999 > 103 144 O 0.96137783082603 0.83333333333333 0.87796353171945 15.999 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8919626 0.0000000 -0.1365927 0.0000000 4.8614523 0.0000000 -0.1365905 0.0000000 4.4492336 -------------------------- Born effective charges -------------------------- 1 Sm 3.7778149 0.0000000 0.4058717 0.0000000 4.3377769 0.0000000 0.0237948 0.0000000 4.2098481 2 Sm 3.7778149 0.0000000 0.4058717 0.0000000 4.3377769 0.0000000 0.0237948 0.0000000 4.2098481 3 Ti 6.0575420 0.0000000 -0.8375902 0.0000000 5.5963147 0.0000000 -0.3419513 0.0000000 3.9406172 4 Ti 6.0575420 0.0000000 -0.8375902 0.0000000 5.5963147 0.0000000 -0.3419513 0.0000000 3.9406172 5 Cl -1.3594720 0.0000000 0.0489828 0.0000000 -1.1038202 0.0000000 0.0820247 0.0000000 -1.6372942 6 Cl -1.3594720 0.0000000 0.0489828 0.0000000 -1.1038202 0.0000000 0.0820247 0.0000000 -1.6372942 7 O -2.1253400 0.0000000 -0.3182039 0.0000000 -4.5254589 0.0000000 -0.3358642 0.0000000 -1.4883499 8 O -1.9816660 0.0000000 1.2364296 0.0000000 -3.3040293 0.0000000 0.9269983 0.0000000 -2.6124889 9 O -2.1253400 0.0000000 -0.3182039 0.0000000 -4.5254589 0.0000000 -0.3358642 0.0000000 -1.4883499 10 O -4.3688790 0.0000000 -0.5354900 0.0000000 -1.0007833 0.0000000 -0.3550023 0.0000000 -2.4123323 11 O -1.9816660 0.0000000 1.2364296 0.0000000 -3.3040293 0.0000000 0.9269983 0.0000000 -2.6124889 12 O -4.3688790 0.0000000 -0.5354900 0.0000000 -1.0007833 0.0000000 -0.3550023 0.0000000 -2.4123323 ---------------------------------------------------------------------------- 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 79, 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 91, 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yzy) 0.00000000 (yzy) 0.00000000 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:54:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:54:40]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.872866660314071 -1.965463270000000 0.000000000000000 b 4.872866660314071 1.965463270000000 0.000000000000000 c -2.863780011382091 0.000000000000000 9.556472986155732 Atomic positions (fractional): 1 Sm 0.78063582575349 0.78063582575349 0.29629375459956 150.360 2 Sm 0.21936417424651 0.21936417424651 0.70370624540044 150.360 3 Ti 0.37942799130875 0.37942799130875 0.06653573869982 47.867 4 Ti 0.62057200869125 0.62057200869125 0.93346426130018 47.867 5 Cl 0.11273121075578 0.11273121075578 0.40305875983262 35.453 6 Cl 0.88726878924422 0.88726878924422 0.59694124016738 35.453 7 O 0.83190781459880 0.83190781459880 0.06267443724869 15.999 8 O 0.35371248809656 0.35371248809656 0.24451820987170 15.999 9 O 0.16809218540120 0.16809218540120 0.93732556275131 15.999 10 O 0.57724433834794 0.57724433834794 0.12203646828055 15.999 11 O 0.64628751190344 0.64628751190344 0.75548179012830 15.999 12 O 0.42275566165206 0.42275566165206 0.87796353171945 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 19.491466641256284 0.000000000000000 0.000000000000000 b 0.000000000000000 11.792779620000001 0.000000000000000 c -2.863780011382091 0.000000000000000 9.556472986155732 Atomic positions (fractional): 1 Sm 0.39031791287674 0.00000000000000 0.29629375459956 150.360 > 1 2 Sm 0.89031791287674 0.00000000000000 0.29629375459956 150.360 > 1 3 Sm 0.39031791287674 0.33333333333333 0.29629375459956 150.360 > 1 4 Sm 0.89031791287674 0.33333333333333 0.29629375459956 150.360 > 1 5 Sm 0.39031791287674 0.66666666666667 0.29629375459956 150.360 > 1 6 Sm 0.89031791287674 0.66666666666667 0.29629375459956 150.360 > 1 7 Sm 0.10968208712326 0.00000000000000 0.70370624540044 150.360 > 7 8 Sm 0.60968208712326 0.00000000000000 0.70370624540044 150.360 > 7 9 Sm 0.10968208712326 0.33333333333333 0.70370624540044 150.360 > 7 10 Sm 0.60968208712326 0.33333333333333 0.70370624540044 150.360 > 7 11 Sm 0.10968208712326 0.66666666666667 0.70370624540044 150.360 > 7 12 Sm 0.60968208712326 0.66666666666667 0.70370624540044 150.360 > 7 13 Sm 0.14031791287674 0.16666666666667 0.29629375459956 150.360 > 1 14 Sm 0.64031791287674 0.16666666666667 0.29629375459956 150.360 > 1 15 Sm 0.14031791287674 0.50000000000000 0.29629375459956 150.360 > 1 16 Sm 0.64031791287674 0.50000000000000 0.29629375459956 150.360 > 1 17 Sm 0.14031791287674 0.83333333333333 0.29629375459956 150.360 > 1 18 Sm 0.64031791287674 0.83333333333333 0.29629375459956 150.360 > 1 19 Sm 0.35968208712326 0.16666666666667 0.70370624540044 150.360 > 7 20 Sm 0.85968208712326 0.16666666666667 0.70370624540044 150.360 > 7 21 Sm 0.35968208712326 0.50000000000000 0.70370624540044 150.360 > 7 22 Sm 0.85968208712326 0.50000000000000 0.70370624540044 150.360 > 7 23 Sm 0.35968208712326 0.83333333333333 0.70370624540044 150.360 > 7 24 Sm 0.85968208712326 0.83333333333333 0.70370624540044 150.360 > 7 25 Ti 0.43971399565438 0.16666666666667 0.06653573869982 47.867 > 25 26 Ti 0.93971399565438 0.16666666666667 0.06653573869982 47.867 > 25 27 Ti 0.43971399565438 0.50000000000000 0.06653573869982 47.867 > 25 28 Ti 0.93971399565438 0.50000000000000 0.06653573869982 47.867 > 25 29 Ti 0.43971399565438 0.83333333333333 0.06653573869982 47.867 > 25 30 Ti 0.93971399565438 0.83333333333333 0.06653573869982 47.867 > 25 31 Ti 0.06028600434562 0.16666666666667 0.93346426130018 47.867 > 31 32 Ti 0.56028600434562 0.16666666666667 0.93346426130018 47.867 > 31 33 Ti 0.06028600434562 0.50000000000000 0.93346426130018 47.867 > 31 34 Ti 0.56028600434562 0.50000000000000 0.93346426130018 47.867 > 31 35 Ti 0.06028600434562 0.83333333333333 0.93346426130018 47.867 > 31 36 Ti 0.56028600434562 0.83333333333333 0.93346426130018 47.867 > 31 37 Ti 0.18971399565438 0.00000000000000 0.06653573869982 47.867 > 25 38 Ti 0.68971399565438 0.00000000000000 0.06653573869982 47.867 > 25 39 Ti 0.18971399565438 0.33333333333333 0.06653573869982 47.867 > 25 40 Ti 0.68971399565438 0.33333333333333 0.06653573869982 47.867 > 25 41 Ti 0.18971399565438 0.66666666666667 0.06653573869982 47.867 > 25 42 Ti 0.68971399565438 0.66666666666667 0.06653573869982 47.867 > 25 43 Ti 0.31028600434562 0.00000000000000 0.93346426130018 47.867 > 31 44 Ti 0.81028600434562 0.00000000000000 0.93346426130018 47.867 > 31 45 Ti 0.31028600434562 0.33333333333333 0.93346426130018 47.867 > 31 46 Ti 0.81028600434562 0.33333333333333 0.93346426130018 47.867 > 31 47 Ti 0.31028600434562 0.66666666666667 0.93346426130018 47.867 > 31 48 Ti 0.81028600434562 0.66666666666667 0.93346426130018 47.867 > 31 49 Cl 0.05636560537789 0.00000000000000 0.40305875983262 35.453 > 49 50 Cl 0.55636560537789 0.00000000000000 0.40305875983262 35.453 > 49 51 Cl 0.05636560537789 0.33333333333333 0.40305875983262 35.453 > 49 52 Cl 0.55636560537789 0.33333333333333 0.40305875983262 35.453 > 49 53 Cl 0.05636560537789 0.66666666666667 0.40305875983262 35.453 > 49 54 Cl 0.55636560537789 0.66666666666667 0.40305875983262 35.453 > 49 55 Cl 0.44363439462211 0.00000000000000 0.59694124016738 35.453 > 55 56 Cl 0.94363439462211 0.00000000000000 0.59694124016738 35.453 > 55 57 Cl 0.44363439462211 0.33333333333333 0.59694124016738 35.453 > 55 58 Cl 0.94363439462211 0.33333333333333 0.59694124016738 35.453 > 55 59 Cl 0.44363439462211 0.66666666666667 0.59694124016738 35.453 > 55 60 Cl 0.94363439462211 0.66666666666667 0.59694124016738 35.453 > 55 61 Cl 0.30636560537789 0.16666666666667 0.40305875983262 35.453 > 49 62 Cl 0.80636560537789 0.16666666666667 0.40305875983262 35.453 > 49 63 Cl 0.30636560537789 0.50000000000000 0.40305875983262 35.453 > 49 64 Cl 0.80636560537789 0.50000000000000 0.40305875983262 35.453 > 49 65 Cl 0.30636560537789 0.83333333333333 0.40305875983262 35.453 > 49 66 Cl 0.80636560537789 0.83333333333333 0.40305875983262 35.453 > 49 67 Cl 0.19363439462211 0.16666666666667 0.59694124016738 35.453 > 55 68 Cl 0.69363439462211 0.16666666666667 0.59694124016738 35.453 > 55 69 Cl 0.19363439462211 0.50000000000000 0.59694124016738 35.453 > 55 70 Cl 0.69363439462211 0.50000000000000 0.59694124016738 35.453 > 55 71 Cl 0.19363439462211 0.83333333333333 0.59694124016738 35.453 > 55 72 Cl 0.69363439462211 0.83333333333333 0.59694124016738 35.453 > 55 73 O 0.41595390729940 0.00000000000000 0.06267443724869 15.999 > 73 74 O 0.91595390729940 0.00000000000000 0.06267443724869 15.999 > 73 75 O 0.41595390729940 0.33333333333333 0.06267443724869 15.999 > 73 76 O 0.91595390729940 0.33333333333333 0.06267443724869 15.999 > 73 77 O 0.41595390729940 0.66666666666667 0.06267443724869 15.999 > 73 78 O 0.91595390729940 0.66666666666667 0.06267443724869 15.999 > 73 79 O 0.42685624404828 0.16666666666667 0.24451820987170 15.999 > 79 80 O 0.92685624404828 0.16666666666667 0.24451820987170 15.999 > 79 81 O 0.42685624404828 0.50000000000000 0.24451820987170 15.999 > 79 82 O 0.92685624404828 0.50000000000000 0.24451820987170 15.999 > 79 83 O 0.42685624404828 0.83333333333333 0.24451820987170 15.999 > 79 84 O 0.92685624404828 0.83333333333333 0.24451820987170 15.999 > 79 85 O 0.08404609270060 0.00000000000000 0.93732556275131 15.999 > 85 86 O 0.58404609270060 0.00000000000000 0.93732556275131 15.999 > 85 87 O 0.08404609270060 0.33333333333333 0.93732556275131 15.999 > 85 88 O 0.58404609270060 0.33333333333333 0.93732556275131 15.999 > 85 89 O 0.08404609270060 0.66666666666667 0.93732556275131 15.999 > 85 90 O 0.58404609270060 0.66666666666667 0.93732556275131 15.999 > 85 91 O 0.28862216917397 0.00000000000000 0.12203646828055 15.999 > 91 92 O 0.78862216917397 0.00000000000000 0.12203646828055 15.999 > 91 93 O 0.28862216917397 0.33333333333333 0.12203646828055 15.999 > 91 94 O 0.78862216917397 0.33333333333333 0.12203646828055 15.999 > 91 95 O 0.28862216917397 0.66666666666667 0.12203646828055 15.999 > 91 96 O 0.78862216917397 0.66666666666667 0.12203646828055 15.999 > 91 97 O 0.07314375595172 0.16666666666667 0.75548179012830 15.999 > 97 98 O 0.57314375595172 0.16666666666667 0.75548179012830 15.999 > 97 99 O 0.07314375595172 0.50000000000000 0.75548179012830 15.999 > 97 100 O 0.57314375595172 0.50000000000000 0.75548179012830 15.999 > 97 101 O 0.07314375595172 0.83333333333333 0.75548179012830 15.999 > 97 102 O 0.57314375595172 0.83333333333333 0.75548179012830 15.999 > 97 103 O 0.21137783082603 0.00000000000000 0.87796353171945 15.999 > 103 104 O 0.71137783082603 0.00000000000000 0.87796353171945 15.999 > 103 105 O 0.21137783082603 0.33333333333333 0.87796353171945 15.999 > 103 106 O 0.71137783082603 0.33333333333333 0.87796353171945 15.999 > 103 107 O 0.21137783082603 0.66666666666667 0.87796353171945 15.999 > 103 108 O 0.71137783082603 0.66666666666667 0.87796353171945 15.999 > 103 109 O 0.16595390729940 0.16666666666667 0.06267443724869 15.999 > 73 110 O 0.66595390729940 0.16666666666667 0.06267443724869 15.999 > 73 111 O 0.16595390729940 0.50000000000000 0.06267443724869 15.999 > 73 112 O 0.66595390729940 0.50000000000000 0.06267443724869 15.999 > 73 113 O 0.16595390729940 0.83333333333333 0.06267443724869 15.999 > 73 114 O 0.66595390729940 0.83333333333333 0.06267443724869 15.999 > 73 115 O 0.17685624404828 0.00000000000000 0.24451820987170 15.999 > 79 116 O 0.67685624404828 0.00000000000000 0.24451820987170 15.999 > 79 117 O 0.17685624404828 0.33333333333333 0.24451820987170 15.999 > 79 118 O 0.67685624404828 0.33333333333333 0.24451820987170 15.999 > 79 119 O 0.17685624404828 0.66666666666667 0.24451820987170 15.999 > 79 120 O 0.67685624404828 0.66666666666667 0.24451820987170 15.999 > 79 121 O 0.33404609270060 0.16666666666667 0.93732556275131 15.999 > 85 122 O 0.83404609270060 0.16666666666667 0.93732556275131 15.999 > 85 123 O 0.33404609270060 0.50000000000000 0.93732556275131 15.999 > 85 124 O 0.83404609270060 0.50000000000000 0.93732556275131 15.999 > 85 125 O 0.33404609270060 0.83333333333333 0.93732556275131 15.999 > 85 126 O 0.83404609270060 0.83333333333333 0.93732556275131 15.999 > 85 127 O 0.03862216917397 0.16666666666667 0.12203646828055 15.999 > 91 128 O 0.53862216917397 0.16666666666667 0.12203646828055 15.999 > 91 129 O 0.03862216917397 0.50000000000000 0.12203646828055 15.999 > 91 130 O 0.53862216917397 0.50000000000000 0.12203646828055 15.999 > 91 131 O 0.03862216917397 0.83333333333333 0.12203646828055 15.999 > 91 132 O 0.53862216917397 0.83333333333333 0.12203646828055 15.999 > 91 133 O 0.32314375595172 0.00000000000000 0.75548179012830 15.999 > 97 134 O 0.82314375595172 0.00000000000000 0.75548179012830 15.999 > 97 135 O 0.32314375595172 0.33333333333333 0.75548179012830 15.999 > 97 136 O 0.82314375595172 0.33333333333333 0.75548179012830 15.999 > 97 137 O 0.32314375595172 0.66666666666667 0.75548179012830 15.999 > 97 138 O 0.82314375595172 0.66666666666667 0.75548179012830 15.999 > 97 139 O 0.46137783082603 0.16666666666667 0.87796353171945 15.999 > 103 140 O 0.96137783082603 0.16666666666667 0.87796353171945 15.999 > 103 141 O 0.46137783082603 0.50000000000000 0.87796353171945 15.999 > 103 142 O 0.96137783082603 0.50000000000000 0.87796353171945 15.999 > 103 143 O 0.46137783082603 0.83333333333333 0.87796353171945 15.999 > 103 144 O 0.96137783082603 0.83333333333333 0.87796353171945 15.999 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.8919626 0.0000000 -0.1365927 0.0000000 4.8614523 0.0000000 -0.1365905 0.0000000 4.4492336 -------------------------- Born effective charges -------------------------- 1 Sm 3.7778149 0.0000000 0.4058717 0.0000000 4.3377769 0.0000000 0.0237948 0.0000000 4.2098481 2 Sm 3.7778149 0.0000000 0.4058717 0.0000000 4.3377769 0.0000000 0.0237948 0.0000000 4.2098481 3 Ti 6.0575420 0.0000000 -0.8375902 0.0000000 5.5963147 0.0000000 -0.3419513 0.0000000 3.9406172 4 Ti 6.0575420 0.0000000 -0.8375902 0.0000000 5.5963147 0.0000000 -0.3419513 0.0000000 3.9406172 5 Cl -1.3594720 0.0000000 0.0489828 0.0000000 -1.1038202 0.0000000 0.0820247 0.0000000 -1.6372942 6 Cl -1.3594720 0.0000000 0.0489828 0.0000000 -1.1038202 0.0000000 0.0820247 0.0000000 -1.6372942 7 O -2.1253400 0.0000000 -0.3182039 0.0000000 -4.5254589 0.0000000 -0.3358642 0.0000000 -1.4883499 8 O -1.9816660 0.0000000 1.2364296 0.0000000 -3.3040293 0.0000000 0.9269983 0.0000000 -2.6124889 9 O -2.1253400 0.0000000 -0.3182039 0.0000000 -4.5254589 0.0000000 -0.3358642 0.0000000 -1.4883499 10 O -4.3688790 0.0000000 -0.5354900 0.0000000 -1.0007833 0.0000000 -0.3550023 0.0000000 -2.4123323 11 O -1.9816660 0.0000000 1.2364296 0.0000000 -3.3040293 0.0000000 0.9269983 0.0000000 -2.6124889 12 O -4.3688790 0.0000000 -0.5354900 0.0000000 -1.0007833 0.0000000 -0.3550023 0.0000000 -2.4123323 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yzy) 0.00000000 (yzy) 0.00000000 (yyz) 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 ... [ 14 14 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.73, Number of G-points: 293, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/267) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.907 ( 0.000 0.000 0.000) 0.000 2.485 ( 0.000 0.000 0.000) 0.000 2.613 ( 0.000 0.000 0.000) 0.000 2.633 ( 0.000 0.000 0.000) 0.000 3.822 ( 0.000 0.000 0.000) 0.000 3.945 ( 0.000 0.000 0.000) 0.000 4.155 ( 0.000 0.000 0.000) 0.000 4.516 ( 0.000 0.000 0.000) 0.000 5.111 ( 0.000 0.000 0.000) 0.000 5.165 ( 0.000 0.000 0.000) 0.000 5.474 ( 0.000 0.000 0.000) 0.000 5.649 ( 0.000 0.000 0.000) 0.000 5.882 ( 0.000 0.000 0.000) 0.000 5.884 ( 0.000 0.000 0.000) 0.000 6.580 ( 0.000 0.000 0.000) 0.000 6.683 ( 0.000 0.000 0.000) 0.000 8.825 ( 0.000 0.000 0.000) 0.000 8.906 ( 0.000 0.000 0.000) 0.000 9.360 ( 0.000 0.000 0.000) 0.000 9.614 ( 0.000 0.000 0.000) 0.000 9.850 ( 0.000 0.000 0.000) 0.000 11.811 ( 0.000 0.000 0.000) 0.000 11.831 ( 0.000 0.000 0.000) 0.000 13.556 ( 0.000 0.000 0.000) 0.000 13.791 ( 0.000 0.000 0.000) 0.000 13.808 ( 0.000 0.000 0.000) 0.000 16.419 ( 0.000 0.000 0.000) 0.000 16.586 ( 0.000 0.000 0.000) 0.000 17.133 ( 0.000 0.000 0.000) 0.000 17.426 ( 0.000 0.000 0.000) 0.000 18.776 ( 0.000 0.000 0.000) 0.000 21.321 ( 0.000 0.000 0.000) 0.000 22.492 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/267) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( 19.015 -22.536 -5.906) 30.071 0.544 ( 14.428 -24.353 4.224) 28.620 1.159 ( 14.564 -55.537 3.548) 57.525 2.456 ( 0.395 -30.671 -1.425) 30.707 2.645 ( 0.813 -3.083 -0.392) 3.212 2.709 ( 1.476 -37.847 0.554) 37.880 3.629 ( -11.704 -3.675 -4.597) 13.101 3.889 ( -8.778 -5.122 -4.841) 11.257 4.026 ( -4.606 5.200 4.015) 8.023 4.275 ( 6.497 -4.586 4.814) 9.296 4.618 ( -5.934 -9.340 2.472) 11.339 5.102 ( 2.683 0.238 -2.868) 3.935 5.204 ( 1.203 -4.029 -9.156) 10.075 5.488 ( -2.035 -2.768 -2.793) 4.428 5.755 ( -3.578 -10.276 6.728) 12.793 5.879 ( 0.844 0.509 -0.850) 1.301 5.988 ( 9.513 -4.462 7.357) 12.827 6.583 ( -1.151 -1.805 -1.148) 2.429 7.821 ( -24.358 1.825 4.236) 24.790 8.820 ( -8.786 -2.886 -1.139) 9.317 8.927 ( 3.286 0.597 0.149) 3.343 9.419 ( -9.433 -10.047 0.200) 13.783 9.761 ( 23.294 -3.962 -0.895) 23.646 11.690 ( -11.206 5.382 -1.677) 12.544 11.778 ( -2.924 4.692 -0.054) 5.529 13.494 ( 0.063 7.934 -1.018) 7.999 13.712 ( -0.230 8.982 0.077) 8.986 13.750 ( 1.931 3.440 -1.022) 4.075 14.935 (-122.355 -57.435 -13.132) 135.801 16.549 ( 2.566 -3.785 -0.070) 4.573 17.106 ( -21.189 -13.197 15.959) 29.628 17.366 ( -5.191 4.100 0.732) 6.655 18.726 ( 4.450 5.382 -2.937) 7.576 19.590 ( 30.744 -14.502 -147.670) 151.532 21.811 ( 56.089 38.155 91.733) 114.091 22.538 ( 13.370 2.047 6.707) 15.097 ======================= Grid point 2 (3/267) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 15.773 -23.652 -5.088) 28.881 1.112 ( 13.292 -26.941 3.713) 30.270 2.212 ( 12.122 -47.733 2.786) 49.327 2.690 ( 2.371 -2.453 -0.694) 3.482 2.749 ( 0.321 -11.827 0.112) 11.832 3.507 ( -12.410 -10.029 -2.657) 16.176 3.786 ( -1.907 -25.817 -0.572) 25.893 3.941 ( 3.747 -0.732 0.753) 3.891 4.012 ( 2.805 -24.098 1.307) 24.296 4.471 ( 6.813 -10.290 1.164) 12.396 4.725 ( -10.194 -10.085 1.874) 14.462 5.109 ( 1.959 0.750 -3.160) 3.793 5.329 ( 4.664 -9.576 -12.847) 16.688 5.554 ( -5.980 -9.177 -0.040) 10.954 5.859 ( -0.363 0.225 -0.828) 0.932 5.954 ( -1.634 -11.311 3.139) 11.852 6.209 ( 4.890 -8.480 10.229) 14.158 6.699 ( 0.601 -14.727 -2.055) 14.882 7.581 ( -10.977 9.934 2.558) 15.024 8.787 ( -3.152 1.302 -2.054) 3.981 8.954 ( -1.222 -2.520 1.054) 2.993 9.593 ( -5.088 -15.230 0.143) 16.058 10.085 ( 19.176 -13.850 -0.344) 23.657 11.442 ( -11.027 11.985 -0.757) 16.304 11.639 ( -5.747 6.103 -0.044) 8.383 13.264 ( -2.517 15.094 -1.465) 15.373 13.525 ( -0.938 10.123 -0.287) 10.170 13.724 ( 7.332 3.685 -0.142) 8.207 15.059 ( -62.644 -31.834 0.148) 70.268 16.553 ( 1.271 5.732 -3.461) 6.815 17.176 ( -10.619 1.711 -6.529) 12.583 17.347 ( -18.026 -18.304 3.186) 25.887 18.689 ( 9.689 3.845 6.069) 12.062 19.773 ( 19.084 -8.802 -52.919) 56.939 21.730 ( 13.577 12.800 29.727) 35.098 22.608 ( 15.711 4.137 5.379) 17.113 ======================= Grid point 3 (4/267) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 10.709 -19.411 -0.066) 22.169 1.727 ( 14.211 -27.833 -0.238) 31.252 2.749 ( 1.657 -2.383 0.497) 2.944 2.932 ( 0.773 -12.324 -2.818) 12.666 3.066 ( 7.164 -32.633 4.036) 33.654 3.477 ( -8.902 -1.066 -2.435) 9.291 3.878 ( -6.352 -4.083 0.081) 7.551 3.965 ( 3.629 0.157 1.762) 4.037 4.661 ( 9.332 -11.507 0.890) 14.842 4.710 ( -4.806 -17.683 0.239) 18.326 4.953 ( 5.319 -13.653 -1.803) 14.763 5.147 ( -0.180 -10.586 -0.308) 10.592 5.503 ( 1.677 -9.994 -9.737) 14.053 5.756 ( -6.259 -14.162 0.361) 15.487 5.847 ( -0.657 -0.746 2.209) 2.423 6.176 ( 3.952 -7.573 -0.165) 8.544 6.430 ( -0.427 -19.413 5.254) 20.116 7.101 ( 11.031 -18.325 -0.568) 21.397 7.367 ( -16.729 -1.613 2.685) 17.020 8.730 ( 0.048 2.375 -2.267) 3.284 9.002 ( -1.465 -3.596 0.920) 3.990 9.893 ( 0.953 -18.293 -0.296) 18.320 10.511 ( 13.700 -18.562 -0.109) 23.071 11.118 ( -10.996 13.420 -0.328) 17.352 11.514 ( -6.357 1.239 0.113) 6.477 12.922 ( -3.408 19.711 -0.942) 20.025 13.357 ( -1.443 6.847 -0.553) 7.020 13.700 ( 8.442 5.649 0.313) 10.163 15.173 ( -39.560 -21.913 2.648) 45.301 16.354 ( 2.838 15.775 -5.054) 16.806 17.030 ( -12.462 2.325 -1.701) 12.791 17.576 ( -20.553 -20.295 -5.689) 29.440 18.759 ( 11.337 -0.387 11.194) 15.937 19.938 ( 15.416 -4.421 -22.639) 27.744 21.693 ( 1.807 2.128 10.800) 11.155 22.626 ( 13.756 6.903 2.421) 15.580 ======================= Grid point 4 (5/267) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 7.234 -14.285 0.950) 16.040 2.278 ( 11.575 -21.023 -0.436) 24.003 2.794 ( 1.402 -0.939 1.970) 2.594 3.146 ( 2.410 -12.747 0.118) 12.973 3.391 ( -3.903 1.248 -3.620) 5.468 3.599 ( -3.579 -18.463 -2.805) 19.015 3.937 ( -6.281 -7.569 3.682) 10.502 3.993 ( 3.999 -0.525 1.856) 4.440 4.821 ( 2.730 -1.417 -2.312) 3.848 4.902 ( -0.691 -10.030 0.825) 10.087 5.136 ( 7.481 -7.560 0.194) 10.637 5.447 ( -0.978 -14.705 -1.624) 14.827 5.723 ( -2.511 -14.266 -4.548) 15.182 5.792 ( -0.108 1.623 0.007) 1.627 6.009 ( 5.601 -10.801 1.213) 12.228 6.236 ( -5.037 -1.736 2.375) 5.833 6.822 ( 0.089 -9.610 0.096) 9.611 7.244 ( 10.075 -7.710 1.734) 12.804 7.715 ( -10.061 -32.857 0.727) 34.371 8.740 ( 2.298 -4.806 -1.955) 5.675 9.071 ( -0.922 -4.987 0.624) 5.110 10.165 ( -3.999 -8.838 -0.953) 9.747 10.727 ( -8.383 7.200 0.158) 11.052 11.027 ( 14.865 -12.843 -0.028) 19.645 11.567 ( -6.926 -13.054 0.396) 14.783 12.504 ( -4.242 22.106 -0.520) 22.515 13.259 ( -1.189 2.770 -0.506) 3.056 13.639 ( 7.024 7.321 0.575) 10.162 15.301 ( -22.160 -16.744 1.358) 27.808 16.047 ( 1.501 17.516 -2.261) 17.725 16.907 ( -11.423 1.332 -1.546) 11.604 17.744 ( -16.687 -14.801 -5.204) 22.905 18.886 ( 8.145 -2.350 9.560) 12.777 20.058 ( 12.662 -1.315 -9.671) 15.987 21.729 ( -1.674 -4.031 3.920) 5.866 22.571 ( 11.369 9.379 0.395) 14.744 ======================= Grid point 5 (6/267) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 3.929 -8.315 0.791) 9.231 2.630 ( 5.840 -11.459 -1.409) 12.938 2.816 ( 1.735 0.255 4.805) 5.115 3.279 ( -6.769 3.517 1.359) 7.749 3.458 ( 9.008 -13.070 -5.481) 16.793 3.779 ( -1.938 -8.769 -6.122) 10.869 3.972 ( -3.203 -0.758 2.764) 4.298 4.141 ( -2.763 -10.386 4.702) 11.730 4.792 ( -0.813 2.389 -1.218) 2.802 5.108 ( 1.683 -10.359 0.563) 10.510 5.331 ( 7.206 -7.078 -0.756) 10.129 5.665 ( -0.913 -10.883 0.735) 10.946 5.737 ( 0.968 3.738 -2.860) 4.805 5.857 ( -9.750 -5.973 -1.484) 11.530 6.170 ( -3.489 0.710 3.251) 4.822 6.353 ( 11.687 -12.411 -0.582) 17.058 6.821 ( -5.085 0.874 0.750) 5.214 7.520 ( 11.081 -7.614 -0.262) 13.447 8.223 ( -6.328 -28.045 0.214) 28.751 8.970 ( 4.215 -17.629 -0.036) 18.126 9.184 ( 0.275 -8.112 -0.168) 8.118 10.101 ( -9.498 6.776 -2.032) 11.843 10.512 ( -6.565 9.325 0.870) 11.438 11.371 ( 7.262 -5.220 0.394) 8.952 11.779 ( 1.470 -8.930 0.545) 9.067 12.183 ( -5.173 1.759 -0.370) 5.477 13.234 ( -0.551 -0.762 -0.351) 1.004 13.550 ( 4.895 7.042 0.564) 8.595 15.449 ( -8.632 -11.115 -3.370) 14.471 15.773 ( 0.505 12.331 3.967) 12.964 16.806 ( -9.399 0.954 -1.963) 9.649 17.854 ( -10.757 -9.563 -3.094) 14.722 18.988 ( 4.415 -1.852 5.879) 7.582 20.132 ( 9.324 0.301 -3.934) 10.125 21.823 ( -2.677 -7.121 1.728) 7.801 22.462 ( 9.191 10.585 -0.645) 14.033 ======================= Grid point 6 (7/267) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 1.289 -3.184 0.263) 3.445 2.796 ( 0.712 -3.860 -3.862) 5.507 2.860 ( 4.396 -3.025 8.269) 9.842 3.145 ( -5.498 5.346 -2.950) 8.216 3.660 ( 3.529 -4.573 -2.642) 6.351 3.898 ( 2.861 0.220 2.267) 3.657 4.038 ( 0.381 -11.696 -6.232) 13.258 4.261 ( -5.053 -4.145 5.747) 8.703 4.746 ( -0.890 1.543 -0.197) 1.792 5.287 ( 0.325 -8.310 1.118) 8.391 5.469 ( 4.574 -2.765 -3.009) 6.134 5.640 ( -0.657 5.454 -0.590) 5.525 5.817 ( -1.301 -3.713 1.889) 4.364 5.869 ( -4.799 -4.593 -2.224) 7.006 6.134 ( -2.396 0.449 1.934) 3.112 6.603 ( 7.126 -5.659 0.501) 9.113 6.789 ( -3.170 -0.774 0.050) 3.264 7.687 ( 8.638 -4.133 -1.033) 9.631 8.560 ( -4.973 -12.031 0.397) 13.024 9.365 ( 0.610 -9.618 -0.401) 9.646 9.398 ( 3.463 -24.777 1.577) 25.067 9.931 ( -3.131 2.400 -3.702) 5.410 10.262 ( -3.842 14.573 1.383) 15.135 11.111 ( -8.177 22.413 0.941) 23.876 12.061 ( 16.727 -10.841 -0.128) 19.933 12.283 ( -11.222 -10.697 0.243) 15.506 13.266 ( 0.050 -2.409 -0.231) 2.420 13.472 ( 2.534 4.270 0.326) 4.976 15.483 ( -1.442 2.015 -6.153) 6.634 15.695 ( 0.141 -1.592 7.049) 7.228 16.731 ( -5.804 0.516 -1.491) 6.015 17.922 ( -5.128 -4.785 -1.374) 7.147 19.044 ( 1.846 -0.841 2.669) 3.352 20.169 ( 5.021 0.583 -1.401) 5.245 21.943 ( -3.028 -7.510 1.107) 8.173 22.331 ( 6.530 9.445 -0.939) 11.521 ======================= Grid point 7 (8/267) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 0.000 -0.000 0.000) 0.000 2.817 ( 0.000 -0.000 0.000) 0.000 2.978 ( 0.000 -0.000 0.000) 0.000 3.018 ( -0.000 0.000 -0.000) 0.000 3.709 ( 0.000 -0.000 0.000) 0.000 3.891 ( -0.000 -0.000 0.000) 0.000 4.214 ( -0.000 0.000 0.000) 0.000 4.240 ( 0.000 -0.000 -0.000) 0.000 4.728 ( 0.000 -0.000 -0.000) 0.000 5.409 ( -0.000 -0.000 0.000) 0.000 5.453 ( -0.000 0.000 0.000) 0.000 5.591 ( 0.000 -0.000 0.000) 0.000 5.826 ( -0.000 -0.000 0.000) 0.000 5.914 ( 0.000 -0.000 -0.000) 0.000 6.125 ( 0.000 -0.000 0.000) 0.000 6.671 ( 0.000 -0.000 0.000) 0.000 6.791 ( 0.000 -0.000 0.000) 0.000 7.769 ( 0.000 -0.000 0.000) 0.000 8.632 ( 0.000 -0.000 0.000) 0.000 9.452 ( -0.000 -0.000 0.000) 0.000 9.781 ( 0.000 0.000 0.000) 0.000 9.965 ( 0.000 -0.000 -0.000) 0.000 9.983 ( -0.000 0.000 0.000) 0.000 10.797 ( 0.000 0.000 0.000) 0.000 12.283 ( -0.000 -0.000 0.000) 0.000 12.293 ( 0.000 -0.000 0.000) 0.000 13.294 ( 0.000 -0.000 0.000) 0.000 13.442 ( 0.000 -0.000 0.000) 0.000 15.441 ( 0.000 -0.000 -0.000) 0.000 15.733 ( 0.000 -0.000 0.000) 0.000 16.702 ( 0.000 -0.000 0.000) 0.000 17.945 ( 0.000 -0.000 -0.000) 0.000 19.061 ( 0.000 -0.000 0.000) 0.000 20.181 ( 0.000 -0.000 0.000) 0.000 22.018 ( 0.000 -0.000 0.000) 0.000 22.251 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 16 (9/267) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( 24.313 0.000 8.957) 25.910 0.480 ( 30.376 0.000 5.477) 30.866 0.819 ( 53.933 0.000 1.015) 53.943 1.876 ( -3.924 -0.000 -0.470) 3.952 2.490 ( 1.060 0.000 -1.492) 1.830 2.631 ( 2.529 0.000 -0.275) 2.544 2.663 ( 3.595 0.000 1.162) 3.778 3.801 ( -2.861 -0.000 0.219) 2.870 4.167 ( 1.520 0.000 0.210) 1.535 4.206 ( -11.267 -0.000 12.290) 16.673 4.512 ( -1.063 -0.000 13.707) 13.748 5.112 ( 0.215 0.000 0.041) 0.218 5.114 ( -7.145 -0.000 -17.447) 18.853 5.445 ( -2.397 -0.000 -8.632) 8.959 5.675 ( -1.747 -0.000 15.509) 15.607 5.901 ( 2.014 0.000 0.506) 2.076 6.432 ( -3.499 -0.000 18.140) 18.475 6.583 ( 1.684 0.000 -0.106) 1.687 6.696 ( 1.692 0.000 -0.012) 1.692 8.851 ( 3.245 0.000 0.797) 3.342 8.982 ( 0.349 0.000 -2.408) 2.433 9.399 ( 4.871 0.000 0.129) 4.873 9.830 ( -2.681 -0.000 -0.040) 2.681 11.248 ( 7.580 0.000 -27.707) 28.725 11.790 ( -6.298 -0.000 0.084) 6.298 12.531 ( 3.375 0.000 -26.214) 26.431 13.578 ( 1.499 0.000 -1.232) 1.940 13.810 ( 0.318 0.000 0.068) 0.325 13.812 ( 3.772 0.000 0.046) 3.773 16.586 ( 0.014 0.000 -0.106) 0.107 16.738 ( -28.271 -0.000 28.454) 40.111 17.427 ( 0.026 0.000 0.063) 0.068 18.789 ( 7.933 0.000 -21.013) 22.460 19.431 ( 66.150 0.000 -157.967) 171.258 22.352 ( -18.148 -0.000 1.056) 18.179 23.629 ( -12.596 -0.000 51.969) 53.474 ======================= Grid point 17 (10/267) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 24.373 -15.556 2.196) 28.997 0.849 ( 23.482 -17.182 -2.050) 29.169 1.554 ( 32.613 -36.459 5.124) 49.184 2.440 ( -1.607 -33.027 -4.346) 33.350 2.658 ( 1.186 -14.801 -2.353) 15.034 2.746 ( 2.374 -20.461 3.217) 20.848 3.355 ( -13.471 -35.444 -4.884) 38.231 3.771 ( -6.110 -1.712 0.832) 6.400 4.038 ( 0.793 4.967 1.458) 5.237 4.289 ( -7.570 -9.866 0.972) 12.474 4.579 ( 1.137 -1.745 8.639) 8.886 5.103 ( -5.719 -8.468 -17.575) 20.330 5.135 ( 3.852 -2.072 -6.054) 7.469 5.421 ( -5.164 -2.407 -1.898) 6.005 5.758 ( -2.398 -6.579 11.895) 13.803 5.904 ( 2.344 1.218 0.133) 2.645 6.193 ( 10.786 2.550 9.098) 14.340 6.544 ( -2.523 -2.182 -3.015) 4.496 7.406 ( -25.211 -23.702 4.158) 34.852 8.772 ( 2.673 4.420 -1.392) 5.350 8.955 ( 1.552 1.230 0.003) 1.981 9.399 ( 4.262 -3.633 -0.629) 5.635 10.022 ( 10.638 -10.932 0.821) 15.276 11.439 ( -16.994 -3.493 -4.054) 17.816 11.682 ( -10.357 4.410 -0.199) 11.258 13.345 ( -45.834 -59.492 -19.018) 77.471 13.487 ( -7.436 3.898 -0.068) 8.396 13.743 ( -1.986 1.128 -0.682) 2.384 13.867 ( 4.597 -2.415 1.160) 5.321 16.558 ( -2.122 -2.120 1.635) 3.416 16.784 ( -27.907 -15.793 8.492) 33.171 17.334 ( -0.465 8.810 -0.814) 8.860 18.796 ( 8.211 0.945 -11.295) 13.997 19.674 ( 38.917 -8.043 -68.908) 79.546 22.081 ( -17.420 12.994 8.121) 23.200 23.152 ( 27.983 33.036 26.683) 50.857 ======================= Grid point 18 (11/267) ======================= q-point: ( 0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 20.975 -16.706 -3.194) 27.004 1.368 ( 19.335 -23.834 -0.323) 30.692 2.429 ( 12.712 -35.701 3.449) 38.053 2.732 ( 3.369 -9.488 -6.099) 11.772 2.777 ( 4.905 -6.796 3.961) 9.270 3.296 ( -13.003 -15.674 -1.348) 20.410 3.736 ( -4.986 -7.231 2.435) 9.114 4.016 ( 5.092 0.999 0.680) 5.234 4.073 ( 4.595 -42.506 -0.960) 42.765 4.518 ( -7.221 -22.372 1.529) 23.558 4.646 ( 3.488 -4.190 2.671) 6.071 5.113 ( 0.594 0.423 -3.303) 3.383 5.280 ( -2.521 -10.485 -13.763) 17.485 5.494 ( -0.006 -10.173 -3.299) 10.694 5.872 ( 2.087 -0.168 2.041) 2.924 5.967 ( -0.015 -12.319 4.059) 12.971 6.289 ( 0.496 -2.420 8.049) 8.419 6.678 ( -3.334 -17.474 -1.289) 17.836 7.416 ( -10.100 3.183 2.742) 10.939 8.759 ( 1.159 0.657 -2.411) 2.755 8.960 ( 1.734 -0.761 0.842) 2.072 9.598 ( 4.706 -14.327 -0.735) 15.098 10.334 ( 14.156 -13.301 0.651) 19.435 11.230 ( -16.549 9.655 -0.847) 19.179 11.521 ( -9.959 4.071 0.072) 10.759 13.207 ( -4.130 15.252 -1.998) 15.927 13.472 ( -7.393 6.129 -1.632) 9.740 13.861 ( 10.503 2.814 -0.405) 10.881 14.172 ( -47.883 -45.497 -3.382) 66.138 16.554 ( 0.899 4.741 -3.165) 5.771 16.895 ( -25.735 -14.964 -1.124) 29.790 17.172 ( -6.276 2.314 2.984) 7.324 18.839 ( 7.960 -0.483 -0.017) 7.975 19.935 ( 25.955 -5.750 -29.398) 39.636 21.790 ( -11.074 7.902 6.612) 15.126 22.967 ( 21.655 15.778 9.123) 28.304 ======================= Grid point 19 (12/267) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 14.811 -14.131 -0.068) 20.471 1.955 ( 17.161 -24.961 -3.829) 30.533 2.759 ( -0.661 -4.649 0.693) 4.747 2.938 ( 2.139 -11.384 -4.120) 12.294 3.185 ( 2.993 -23.986 2.467) 24.297 3.350 ( -3.305 -2.960 -0.233) 4.443 3.798 ( -5.567 -4.919 4.043) 8.458 4.042 ( 5.326 0.879 2.401) 5.908 4.617 ( -6.945 -19.375 -0.371) 20.586 4.774 ( 4.574 -6.146 -2.373) 8.020 5.056 ( 8.089 -21.055 0.027) 22.555 5.138 ( -0.509 -8.439 0.200) 8.456 5.402 ( -10.106 -12.304 -2.555) 16.126 5.738 ( 4.955 -10.740 -9.700) 15.296 5.900 ( 6.945 -3.156 4.301) 8.757 6.216 ( 1.156 -2.512 1.592) 3.191 6.473 ( 4.715 -24.988 2.110) 25.516 6.999 ( -23.154 -20.907 2.215) 31.274 7.346 ( 10.932 -2.271 1.371) 11.249 8.729 ( 1.014 1.641 -2.196) 2.923 9.007 ( 2.010 -2.395 0.428) 3.156 9.927 ( 3.227 -15.956 -1.040) 16.312 10.692 ( 9.133 -11.818 0.496) 14.944 10.929 ( -13.682 5.250 -0.333) 14.658 11.425 ( -4.727 -0.739 0.536) 4.814 12.851 ( -5.685 19.585 -1.129) 20.424 13.313 ( -4.606 5.224 -0.856) 7.017 13.838 ( 9.335 7.279 0.809) 11.865 14.598 ( -35.320 -36.310 -1.880) 50.689 16.359 ( 0.453 15.207 -3.953) 15.719 16.853 ( -11.579 1.111 -0.384) 11.638 17.278 ( -17.647 -18.959 0.939) 25.918 18.918 ( 5.832 -1.743 3.908) 7.233 20.125 ( 19.307 -1.802 -12.081) 22.847 21.667 ( -7.359 -0.331 2.684) 7.841 22.866 ( 14.949 12.219 2.615) 19.484 ======================= Grid point 20 (13/267) ======================= q-point: ( 0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 9.075 -9.894 0.013) 13.426 2.437 ( 10.590 -16.165 -4.876) 19.931 2.818 ( 0.432 -2.130 2.794) 3.540 3.208 ( 5.043 -14.922 2.650) 15.972 3.291 ( -4.985 -2.300 -7.671) 9.433 3.569 ( 0.498 -11.278 -2.162) 11.494 3.880 ( -4.531 -6.877 7.344) 11.034 4.075 ( 5.350 0.098 4.068) 6.722 4.798 ( -3.816 -2.102 -1.788) 4.709 4.907 ( 1.000 -11.566 -2.564) 11.889 5.265 ( 8.808 -6.977 2.076) 11.426 5.400 ( -4.824 -13.616 -1.444) 14.517 5.594 ( -10.704 -14.432 -0.059) 17.968 5.787 ( 0.534 1.367 -3.335) 3.643 6.195 ( 1.958 1.080 3.067) 3.796 6.211 ( 14.958 -13.348 -1.443) 20.099 6.773 ( -7.947 -1.632 0.374) 8.122 7.315 ( 0.808 -27.529 1.725) 27.595 7.682 ( 5.157 -22.258 -0.011) 22.847 8.771 ( 2.636 -6.923 -1.029) 7.479 9.078 ( 1.877 -4.141 -0.354) 4.560 10.093 ( -5.885 -1.333 -1.522) 6.223 10.585 ( -9.797 6.685 0.104) 11.861 11.168 ( -0.619 -19.769 0.480) 19.785 11.538 ( 6.867 -11.293 0.590) 13.230 12.424 ( -6.145 21.070 -0.568) 21.955 13.221 ( -3.914 1.291 -0.517) 4.154 13.749 ( 7.060 9.051 1.001) 11.523 14.984 ( -19.302 -28.512 -2.203) 34.501 16.054 ( -0.068 16.646 0.643) 16.659 16.748 ( -9.289 1.539 -1.404) 9.520 17.503 ( -14.371 -17.832 -0.697) 22.912 18.993 ( 2.727 -1.891 3.680) 4.955 20.231 ( 14.555 1.583 -4.577) 15.340 21.687 ( -4.399 -5.522 1.108) 7.146 22.743 ( 10.754 12.051 0.064) 16.151 ======================= Grid point 21 (14/267) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 3.546 -5.265 -0.485) 6.366 2.681 ( 3.098 -7.765 -6.565) 10.629 2.869 ( 2.511 -1.833 5.440) 6.265 3.196 ( -4.616 3.804 0.483) 6.001 3.581 ( 9.064 -9.832 -4.365) 14.067 3.748 ( 2.180 -14.960 -5.535) 16.100 3.949 ( -2.299 -0.865 6.289) 6.752 4.162 ( 2.429 -4.764 6.675) 8.553 4.761 ( -2.586 1.400 -1.648) 3.371 5.115 ( -0.539 -10.738 -1.099) 10.808 5.421 ( 3.667 -4.823 -1.342) 6.205 5.629 ( -4.555 -14.038 1.299) 14.815 5.682 ( -7.830 -1.436 0.254) 7.964 5.766 ( 1.396 -1.500 -1.523) 2.553 6.153 ( 0.225 1.985 1.325) 2.397 6.561 ( 14.177 -8.240 0.472) 16.404 6.717 ( -7.860 -2.260 -0.409) 8.189 7.656 ( 7.367 -6.967 -0.405) 10.148 8.182 ( 0.882 -26.578 -0.155) 26.594 9.034 ( 4.228 -18.302 1.279) 18.827 9.198 ( 1.927 -8.053 -1.394) 8.397 9.954 ( -9.226 5.356 -2.395) 10.934 10.424 ( -5.516 7.006 0.593) 8.936 11.337 ( -10.173 2.928 0.743) 10.612 11.875 ( 7.271 -16.426 0.356) 17.967 12.125 ( -0.295 3.103 -0.164) 3.121 13.203 ( -3.716 -2.221 -0.147) 4.331 13.631 ( 5.431 8.794 0.724) 10.361 15.310 ( -7.487 -17.447 -5.092) 19.656 15.802 ( 0.402 10.806 6.157) 12.443 16.664 ( -8.444 -0.265 -2.234) 8.738 17.700 ( -8.981 -13.388 -1.008) 16.153 19.039 ( 0.217 -1.286 2.262) 2.611 20.265 ( 10.036 3.718 -1.509) 10.809 21.787 ( -2.565 -7.457 0.919) 7.939 22.588 ( 7.826 12.300 -0.884) 14.606 ======================= Grid point 22 (15/267) ======================= q-point: ( 0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 0.012 -2.063 -0.740) 2.191 2.764 ( -1.722 -3.217 -7.163) 8.039 2.958 ( 4.838 -3.317 4.395) 7.330 3.087 ( -1.513 5.356 1.203) 5.694 3.686 ( 1.724 -2.465 -2.873) 4.159 3.929 ( -0.316 2.574 4.197) 4.934 4.084 ( 7.782 -13.536 -5.743) 16.637 4.261 ( 2.003 -1.734 8.026) 8.452 4.725 ( -1.614 0.342 -1.304) 2.103 5.284 ( -1.194 -8.837 0.744) 8.949 5.488 ( -0.399 -1.119 -3.869) 4.047 5.590 ( -5.350 2.409 -0.281) 5.874 5.806 ( -3.231 -4.887 1.756) 6.116 5.837 ( 2.836 -4.862 3.282) 6.516 6.141 ( 2.571 0.546 -1.155) 2.871 6.661 ( -1.514 -1.878 0.152) 2.417 6.778 ( 3.952 -1.821 -0.696) 4.407 7.761 ( 1.377 -1.299 -0.468) 1.950 8.542 ( 2.762 -11.526 -0.190) 11.854 9.371 ( 0.533 -8.258 -0.807) 8.315 9.459 ( 3.757 -23.617 1.935) 23.993 9.884 ( -1.177 -3.955 -3.613) 5.485 10.216 ( -2.667 12.870 0.769) 13.166 10.985 ( -9.455 19.736 0.822) 21.900 12.096 ( -13.039 -9.958 0.429) 16.412 12.301 ( 14.764 -8.617 -0.217) 17.096 13.232 ( -4.508 -3.582 0.456) 5.776 13.527 ( 4.302 6.278 0.077) 7.611 15.434 ( -1.844 -2.117 -4.964) 5.703 15.728 ( 0.290 0.297 6.001) 6.015 16.640 ( -5.523 -3.501 -1.259) 6.659 17.851 ( -3.835 -8.573 -0.724) 9.419 19.053 ( -1.476 -0.431 0.627) 1.661 20.243 ( 5.258 4.466 -0.145) 6.900 21.910 ( -1.803 -7.422 0.983) 7.701 22.413 ( 4.951 11.641 -1.075) 12.696 ======================= Grid point 23 (16/267) ======================= q-point: (-0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -1.530 0.173 -0.998) 1.834 2.771 ( -3.110 -1.826 -6.937) 7.819 2.941 ( -1.150 6.481 -1.020) 6.660 3.111 ( 6.453 -4.164 5.426) 9.403 3.710 ( 0.240 1.013 0.098) 1.046 3.887 ( -0.609 1.921 0.972) 2.238 4.202 ( -1.518 3.635 5.267) 6.577 4.331 ( 10.550 -0.768 -2.528) 10.876 4.723 ( -0.206 -1.182 -1.561) 1.969 5.389 ( -2.787 1.123 0.251) 3.015 5.451 ( -0.487 -0.913 0.627) 1.210 5.557 ( -3.439 -2.043 -0.077) 4.001 5.839 ( -1.749 -0.889 -0.207) 1.972 5.921 ( 2.103 -1.327 4.661) 5.283 6.161 ( 5.827 0.151 -3.269) 6.683 6.658 ( -1.601 2.617 -0.627) 3.131 6.798 ( 1.005 -0.137 -0.518) 1.139 7.702 ( -8.523 4.338 0.758) 9.594 8.695 ( 7.790 -1.528 -0.771) 7.976 9.464 ( 1.826 -0.635 -0.430) 1.980 9.796 ( 1.863 9.777 0.090) 9.953 9.935 ( -4.157 -0.867 1.368) 4.462 9.989 ( 1.056 -6.141 -1.132) 6.333 10.813 ( 2.323 -10.338 -0.410) 10.604 12.064 ( -15.987 2.076 0.302) 16.124 12.480 ( 11.829 0.865 -0.360) 11.866 13.248 ( -5.468 -1.961 1.045) 5.903 13.470 ( 3.009 3.084 -0.557) 4.345 15.442 ( -0.066 -1.888 0.587) 1.978 15.724 ( -0.807 1.604 -0.740) 1.942 16.703 ( -0.102 -5.302 0.493) 5.326 17.953 ( 0.921 -3.899 0.181) 4.010 19.036 ( -2.864 0.606 -1.332) 3.216 20.187 ( 0.493 4.003 0.852) 4.122 22.019 ( 0.008 -3.970 0.381) 3.988 22.250 ( 0.013 6.857 -0.479) 6.873 ======================= Grid point 24 (17/267) ======================= q-point: (-0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -3.004 3.965 -1.820) 5.297 2.767 ( -2.363 -0.878 -7.904) 8.296 2.789 ( -2.146 8.137 2.084) 8.669 3.253 ( 6.877 -4.624 2.350) 8.614 3.617 ( -3.250 8.931 2.253) 9.767 3.862 ( -1.066 0.514 0.108) 1.189 4.088 ( 2.141 7.935 6.356) 10.390 4.346 ( 9.116 6.909 -4.110) 12.154 4.753 ( 0.250 -2.280 -0.800) 2.430 5.259 ( -2.990 8.247 -1.171) 8.850 5.405 ( -4.909 5.045 2.176) 7.368 5.639 ( -0.426 -6.133 0.421) 6.162 5.791 ( -4.280 3.968 1.403) 6.003 5.963 ( 4.623 0.177 2.661) 5.337 6.212 ( 10.007 -0.094 -3.805) 10.707 6.499 ( -6.086 10.952 -0.244) 12.532 6.824 ( 1.336 -1.262 -0.901) 2.047 7.540 ( -11.319 4.597 1.169) 12.273 8.662 ( 8.187 13.055 -0.460) 15.417 9.343 ( -2.884 25.856 -1.662) 26.070 9.363 ( 0.001 11.299 0.560) 11.313 10.009 ( 5.504 -9.439 3.067) 11.349 10.307 ( 2.871 -16.594 -1.545) 16.911 11.215 ( 6.688 -20.967 -0.990) 22.030 11.808 ( -17.426 9.715 0.212) 19.953 12.428 ( 8.447 12.509 -0.110) 15.095 13.235 ( -3.900 -0.444 0.791) 4.004 13.455 ( 0.053 -0.538 -0.538) 0.763 15.525 ( 0.403 -6.002 6.149) 8.602 15.668 ( 0.725 2.490 -6.823) 7.300 16.817 ( 4.807 -4.785 1.375) 6.921 18.011 ( 5.827 0.345 2.058) 6.190 18.979 ( -4.715 2.140 -4.103) 6.607 20.114 ( -3.505 3.016 2.236) 5.136 21.982 ( 2.884 8.159 -1.701) 8.819 22.239 ( -6.261 -7.226 1.232) 9.640 ======================= Grid point 25 (18/267) ======================= q-point: (-0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -4.534 9.764 -2.420) 11.034 2.548 ( -4.473 15.236 -0.965) 15.908 2.777 ( -1.347 -1.035 -2.393) 2.934 3.349 ( 3.428 7.421 -8.988) 12.149 3.400 ( -2.168 2.788 11.427) 11.960 3.841 ( 2.955 3.718 3.791) 6.077 4.007 ( 1.518 4.323 1.824) 4.932 4.195 ( 6.488 14.310 -3.573) 16.113 4.800 ( -0.220 -2.395 0.806) 2.536 5.056 ( -4.656 10.046 -1.499) 11.173 5.244 ( -4.813 8.380 0.951) 9.711 5.653 ( -1.955 7.661 0.635) 7.932 5.733 ( -1.005 -3.750 2.415) 4.572 5.968 ( 4.245 5.831 1.610) 7.390 6.130 ( -6.522 12.221 -1.483) 13.932 6.357 ( 11.639 2.502 -2.087) 12.086 6.842 ( -2.092 -1.447 -0.843) 2.680 7.350 ( -11.257 9.326 0.289) 14.621 8.342 ( 8.707 26.860 -0.293) 28.237 8.913 ( -3.599 16.747 0.746) 17.146 9.192 ( 1.407 7.544 -0.601) 7.698 10.260 ( 11.573 -6.427 1.552) 13.329 10.595 ( 4.669 -12.956 -0.935) 13.804 11.164 ( -17.627 18.029 -0.121) 25.214 11.812 ( 3.999 -5.095 -0.586) 6.503 12.253 ( 3.863 2.331 0.484) 4.538 13.227 ( -1.463 -1.182 0.385) 1.920 13.489 ( -2.949 -4.274 -0.341) 5.204 15.578 ( 7.265 4.305 0.597) 8.466 15.753 ( -0.734 -13.269 -1.111) 13.336 16.946 ( 8.216 -3.768 1.323) 9.135 18.039 ( 11.576 4.413 5.693) 13.634 18.862 ( -8.167 4.271 -8.385) 12.460 20.037 ( -5.992 2.448 4.851) 8.089 21.834 ( -0.055 7.957 -2.913) 8.474 22.347 ( -6.352 -8.489 1.074) 10.657 ======================= Grid point 26 (19/267) ======================= q-point: (-0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( -5.138 16.291 -2.025) 17.202 2.138 ( -6.605 25.020 -0.216) 25.878 2.767 ( -1.202 0.997 -0.692) 1.708 3.126 ( -0.526 10.725 -0.054) 10.738 3.430 ( 0.667 4.366 0.827) 4.494 3.685 ( 5.519 18.786 1.547) 19.641 3.934 ( -3.372 1.398 0.421) 3.675 4.023 ( 5.676 6.667 -1.162) 8.833 4.766 ( -4.394 7.509 1.154) 8.777 4.900 ( -0.645 2.186 -1.656) 2.817 5.062 ( -2.712 7.984 1.335) 8.537 5.453 ( -0.482 15.752 0.890) 15.785 5.693 ( -5.666 15.025 3.768) 16.494 5.791 ( -0.044 -2.582 0.459) 2.623 6.031 ( 4.919 2.793 -1.179) 5.778 6.320 ( 7.508 11.341 -3.243) 13.982 6.812 ( 0.293 11.329 -0.643) 11.351 7.043 ( -14.772 5.805 0.098) 15.872 7.879 ( 9.853 29.671 -0.805) 31.274 8.723 ( -1.139 2.933 1.579) 3.520 9.093 ( 2.138 5.046 -0.741) 5.530 10.239 ( 5.982 17.729 0.276) 18.713 10.719 ( -11.700 11.980 0.270) 16.747 10.910 ( 2.163 -14.920 -0.149) 15.077 11.659 ( 4.898 13.617 -0.055) 14.471 12.552 ( 2.032 -22.582 0.302) 22.676 13.267 ( -0.062 -3.875 0.295) 3.887 13.551 ( -4.394 -5.175 -0.203) 6.792 15.574 ( 15.230 4.514 -3.636) 16.296 16.030 ( -2.379 -17.246 3.381) 17.735 17.078 ( 9.967 -3.182 0.709) 10.487 18.037 ( 18.170 10.778 11.498) 24.052 18.670 ( -13.976 4.377 -14.040) 20.288 19.959 ( -6.601 2.881 9.548) 11.960 21.687 ( -3.631 5.729 -5.742) 8.887 22.443 ( -5.494 -6.434 0.592) 8.481 ======================= Grid point 27 (20/267) ======================= q-point: (-0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -4.312 22.382 -0.696) 22.804 1.576 ( -5.492 30.689 0.143) 31.177 2.719 ( -1.550 3.297 0.012) 3.643 2.940 ( 0.255 15.113 2.706) 15.356 2.977 ( -2.675 33.492 -3.521) 33.783 3.581 ( 3.640 0.309 0.705) 3.721 3.913 ( -1.642 -0.125 0.647) 1.769 3.975 ( 4.136 2.695 -0.299) 4.945 4.539 ( -5.141 15.467 -0.681) 16.313 4.743 ( 0.424 21.707 -0.821) 21.727 4.931 ( 0.171 6.989 1.973) 7.264 5.145 ( -0.298 8.801 0.022) 8.806 5.480 ( -3.065 8.760 3.650) 9.973 5.829 ( 1.320 -0.523 0.355) 1.464 5.913 ( 7.983 20.572 -1.316) 22.106 6.107 ( -5.068 4.812 0.679) 7.021 6.420 ( 0.755 20.852 -3.946) 21.235 6.956 ( -6.479 7.520 1.018) 9.978 7.543 ( 6.696 7.871 -0.978) 10.381 8.743 ( 0.379 -3.540 0.946) 3.684 9.027 ( 1.617 3.819 -0.461) 4.173 9.908 ( 2.076 16.713 -0.208) 16.843 10.336 ( -8.261 22.275 0.339) 23.760 11.236 ( 4.321 -16.117 0.148) 16.687 11.584 ( 2.622 -1.608 0.035) 3.076 12.959 ( 1.226 -20.105 0.380) 20.146 13.369 ( 0.187 -7.150 0.130) 7.153 13.608 ( -3.466 -4.411 -0.035) 5.610 15.610 ( 18.056 4.832 -3.401) 18.998 16.329 ( -2.433 -15.928 3.087) 16.405 17.208 ( 8.516 -3.302 0.147) 9.135 17.892 ( 14.705 23.191 9.892) 29.188 18.517 ( -11.784 -3.631 -11.166) 16.635 19.878 ( -5.106 4.170 15.008) 16.392 21.542 ( -7.359 4.081 -10.119) 13.161 22.497 ( -3.443 -3.003 0.129) 4.570 ======================= Grid point 28 (21/267) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 0.000 28.217 0.000) 28.217 0.996 ( 0.000 29.317 0.000) 29.317 2.110 ( 0.000 51.355 0.000) 51.355 2.675 ( 0.000 2.586 0.000) 2.586 2.747 ( 0.000 12.246 0.000) 12.246 3.619 ( -0.000 -2.395 -0.000) 2.395 3.793 ( 0.000 59.750 0.000) 59.750 3.913 ( -0.000 -0.208 -0.000) 0.208 3.992 ( -0.000 -2.173 -0.000) 2.173 4.410 ( 0.000 12.179 0.000) 12.179 4.812 ( 0.000 8.031 0.000) 8.031 5.098 ( 0.000 0.582 0.000) 0.582 5.305 ( 0.000 8.003 0.000) 8.003 5.609 ( 0.000 10.387 0.000) 10.387 5.862 ( -0.000 -1.216 -0.000) 1.216 5.996 ( 0.000 10.247 0.000) 10.247 6.109 ( 0.000 12.896 0.000) 12.896 6.698 ( 0.000 11.925 0.000) 11.925 7.660 ( -0.000 -12.784 -0.000) 12.784 8.822 ( -0.000 -4.173 -0.000) 4.173 8.968 ( 0.000 3.585 0.000) 3.585 9.716 ( 0.000 7.013 0.000) 7.013 9.853 ( 0.000 24.087 0.000) 24.087 11.530 ( -0.000 -13.768 -0.000) 13.768 11.682 ( -0.000 -6.434 -0.000) 6.434 13.288 ( -0.000 -15.067 -0.000) 15.067 13.527 ( -0.000 -9.984 -0.000) 9.984 13.669 ( -0.000 -4.024 -0.000) 4.024 15.606 ( 0.000 5.247 0.000) 5.247 16.550 ( -0.000 -7.380 -0.000) 7.380 17.301 ( -0.000 -1.571 -0.000) 1.571 17.502 ( 0.000 21.822 0.000) 21.822 18.580 ( -0.000 -7.574 -0.000) 7.574 19.797 ( 0.000 5.144 0.000) 5.144 21.403 ( 0.000 4.373 0.000) 4.373 22.509 ( -0.000 -0.129 -0.000) 0.129 ======================= Grid point 31 (22/267) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 22.536 0.000 8.186) 23.976 0.930 ( 28.716 0.000 1.270) 28.744 1.565 ( 46.444 0.000 0.807) 46.451 1.796 ( -6.398 -0.000 -0.689) 6.435 2.503 ( 1.924 0.000 -2.639) 3.265 2.679 ( 3.965 0.000 -0.650) 4.018 2.744 ( 6.283 0.000 1.970) 6.585 3.745 ( -4.839 -0.000 0.456) 4.860 4.006 ( -17.696 -0.000 0.948) 17.722 4.197 ( 2.172 0.000 0.341) 2.198 4.625 ( 3.202 0.000 11.970) 12.391 4.914 ( -4.723 -0.000 -15.503) 16.206 5.117 ( 0.397 0.000 0.085) 0.406 5.352 ( -6.469 -0.000 -2.512) 6.939 5.711 ( -0.630 -0.000 7.071) 7.099 5.936 ( 1.999 0.000 0.927) 2.204 6.418 ( -4.155 -0.000 2.913) 5.074 6.662 ( 7.794 0.000 2.488) 8.181 6.731 ( 3.065 0.000 -0.031) 3.065 8.917 ( 4.363 0.000 0.532) 4.395 8.983 ( 1.641 0.000 -1.101) 1.976 9.487 ( 6.508 0.000 -0.092) 6.509 9.773 ( -4.906 -0.000 -0.065) 4.907 11.234 ( 1.282 0.000 -7.963) 8.066 11.625 ( -16.273 -0.000 -0.570) 16.283 12.489 ( 3.146 0.000 -11.023) 11.463 13.549 ( -4.225 -0.000 -2.346) 4.833 13.817 ( 0.578 0.000 0.124) 0.591 13.918 ( 9.795 0.000 0.371) 9.802 16.360 ( -34.514 -0.000 13.581) 37.090 16.585 ( -0.007 -0.000 -0.213) 0.213 17.428 ( 0.050 0.000 0.130) 0.139 18.819 ( 9.013 0.000 -22.768) 24.487 19.775 ( 38.664 0.000 -42.178) 57.218 22.023 ( -24.423 -0.000 -2.445) 24.545 23.662 ( -2.790 -0.000 12.650) 12.954 ======================= Grid point 32 (23/267) ======================= q-point: ( 0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 20.027 -16.664 4.844) 26.500 1.212 ( 26.058 -10.593 -5.536) 28.669 2.049 ( 29.932 -19.568 2.416) 35.842 2.360 ( -6.072 -40.043 -4.703) 40.773 2.655 ( 0.615 -17.145 -2.389) 17.321 2.819 ( 5.565 -6.563 4.447) 9.686 3.269 ( 1.810 -44.820 -2.303) 44.916 3.684 ( -7.014 0.192 2.277) 7.376 3.963 ( -12.281 -8.053 -0.087) 14.686 4.206 ( -0.790 -1.464 1.688) 2.370 4.623 ( -4.022 -1.530 -1.866) 4.690 5.004 ( 3.512 -8.532 -2.728) 9.621 5.150 ( 0.880 -2.090 -4.836) 5.341 5.342 ( -3.896 -5.254 0.511) 6.561 5.764 ( -1.143 -5.768 2.344) 6.330 5.938 ( 1.840 1.363 0.942) 2.476 6.332 ( 2.468 4.211 5.417) 7.292 6.522 ( 3.157 0.976 -1.554) 3.652 7.194 ( -6.809 -19.771 1.912) 20.998 8.831 ( 4.169 6.580 -0.964) 7.849 8.994 ( 4.586 1.135 0.032) 4.724 9.488 ( 7.407 -2.622 -0.990) 7.919 10.090 ( -0.918 -23.160 1.049) 23.202 11.221 ( -11.345 2.535 -1.982) 11.792 11.473 ( -17.103 1.308 -0.670) 17.166 12.849 ( -15.136 -36.076 -9.032) 40.151 13.406 ( -5.632 10.202 -2.209) 11.861 13.733 ( 0.060 6.517 -0.451) 6.533 14.003 ( 10.466 0.712 0.757) 10.517 16.307 ( -34.113 -18.238 9.498) 39.832 16.590 ( -1.052 -0.130 -1.289) 1.669 17.330 ( -0.003 9.786 -0.067) 9.786 18.854 ( 7.443 -1.822 -14.589) 16.479 19.999 ( 29.182 -3.456 -19.074) 35.034 21.793 ( -20.556 4.527 -2.469) 21.193 23.458 ( 8.163 18.638 6.506) 21.362 ======================= Grid point 33 (24/267) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 19.052 -14.166 2.140) 23.838 1.657 ( 22.464 -20.088 -8.308) 31.260 2.557 ( 4.134 -16.968 0.501) 17.472 2.725 ( 0.046 -13.074 -6.112) 14.432 2.908 ( 6.623 -11.145 1.580) 13.060 3.186 ( -0.329 -16.733 4.994) 17.466 3.670 ( -6.108 -5.282 4.731) 9.358 4.042 ( -2.195 -16.391 -3.449) 16.893 4.142 ( 4.985 -20.803 1.655) 21.456 4.394 ( -8.832 -32.683 2.700) 33.963 4.689 ( 0.108 -9.612 -4.162) 10.475 5.119 ( 1.050 -0.857 -1.486) 2.011 5.182 ( -4.997 -6.146 -0.643) 7.948 5.537 ( 9.117 -13.212 -7.853) 17.870 5.937 ( 5.550 -0.274 3.076) 6.351 5.967 ( -1.857 -18.005 1.014) 18.128 6.310 ( -0.629 0.797 3.789) 3.923 6.606 ( -3.976 -8.689 0.395) 9.563 7.355 ( 0.022 -4.454 1.804) 4.806 8.777 ( 1.548 2.937 -1.727) 3.742 9.019 ( 6.090 0.310 0.183) 6.101 9.685 ( 6.513 -12.462 -1.235) 14.115 10.504 ( 8.462 -18.599 1.093) 20.463 10.966 ( -18.669 10.632 -0.419) 21.489 11.362 ( -11.384 -1.195 0.246) 11.449 13.115 ( -9.273 13.596 -0.500) 16.465 13.238 ( -18.588 -13.977 -4.930) 23.773 13.745 ( -9.587 -18.455 -2.887) 20.996 14.027 ( 10.085 5.016 0.710) 11.286 16.465 ( -28.022 -15.116 2.146) 31.911 16.566 ( -2.560 -3.130 0.666) 4.098 17.132 ( -1.635 9.258 1.432) 9.510 18.917 ( 4.624 -2.331 -5.913) 7.860 20.214 ( 21.261 -2.547 -7.199) 22.591 21.605 ( -12.842 1.265 -1.590) 13.001 23.229 ( 10.812 15.445 2.146) 18.975 ======================= Grid point 34 (25/267) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 15.416 -9.055 0.868) 17.900 2.177 ( 16.635 -20.858 -8.820) 28.099 2.745 ( -1.036 -6.384 0.351) 6.477 2.953 ( 2.738 -14.676 -6.744) 16.382 3.133 ( -6.336 -9.027 4.085) 11.761 3.423 ( 7.131 -8.282 1.776) 11.073 3.751 ( -4.283 -6.236 7.451) 10.619 4.135 ( 5.420 -0.117 3.124) 6.257 4.513 ( -6.714 -20.699 -0.521) 21.767 4.752 ( -4.705 -9.786 -5.567) 12.202 5.091 ( -2.637 -17.983 -0.452) 18.181 5.193 ( -0.152 -15.957 0.838) 15.980 5.258 ( -1.443 -4.631 1.992) 5.244 5.760 ( 3.173 -4.630 -8.904) 10.525 6.097 ( 16.458 -10.841 2.325) 19.844 6.239 ( 1.668 0.469 2.366) 2.933 6.583 ( 5.415 -38.509 0.638) 38.893 6.674 ( -16.373 -5.530 1.325) 17.332 7.508 ( 9.881 -9.225 1.087) 13.562 8.734 ( 0.471 0.966 -1.152) 1.575 9.063 ( 5.375 -0.428 -0.564) 5.421 9.951 ( -0.026 -11.049 -1.516) 11.153 10.638 ( -16.873 8.851 -0.264) 19.055 10.834 ( 0.104 -12.410 1.110) 12.460 11.425 ( 5.363 -10.122 0.600) 11.470 12.746 ( -7.888 19.275 -0.859) 20.844 13.200 ( -10.471 0.476 -1.123) 10.542 13.958 ( 5.001 6.480 1.722) 8.365 14.201 ( -14.986 -35.339 -4.588) 38.659 16.319 ( -5.464 11.432 -0.730) 12.692 16.677 ( -12.082 -5.867 1.924) 13.569 17.088 ( -9.125 -10.769 1.942) 14.248 18.973 ( 1.378 -2.191 -1.994) 3.268 20.361 ( 16.032 0.482 -2.287) 16.201 21.560 ( -6.361 -4.047 -0.531) 7.558 23.047 ( 8.737 13.148 -0.260) 15.789 ======================= Grid point 35 (26/267) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 8.036 -4.589 -0.335) 9.259 2.536 ( 7.609 -10.604 -8.774) 15.727 2.841 ( 1.652 -4.122 2.667) 5.180 3.180 ( -6.184 -2.487 0.731) 6.705 3.331 ( 10.087 -21.801 -4.507) 24.440 3.578 ( 1.649 -5.371 -1.987) 5.960 3.867 ( -2.578 -6.646 9.486) 11.866 4.186 ( 6.678 0.090 6.033) 9.000 4.717 ( -5.812 -4.845 -1.976) 7.821 4.884 ( -2.137 -12.101 -4.622) 13.129 5.284 ( -10.559 -11.699 0.214) 15.761 5.357 ( -1.238 -10.029 2.510) 10.412 5.516 ( 4.482 -11.228 0.475) 12.098 5.779 ( 0.695 0.290 -3.822) 3.895 6.207 ( 1.627 2.610 1.021) 3.241 6.488 ( 18.342 -13.374 0.052) 22.700 6.608 ( -13.053 -1.147 0.686) 13.121 7.372 ( 7.082 -34.764 0.459) 35.481 7.789 ( 7.879 -14.364 -0.359) 16.387 8.809 ( 2.824 -9.330 0.562) 9.764 9.118 ( 3.907 -2.560 -1.523) 4.913 9.964 ( -10.751 3.789 -1.678) 11.522 10.460 ( -7.218 2.095 -0.342) 7.524 11.036 ( -14.296 -17.116 1.212) 22.334 11.745 ( 17.413 -11.707 0.418) 20.986 12.326 ( -6.504 18.715 -0.425) 19.817 13.134 ( -7.850 -1.133 -0.447) 7.944 13.847 ( 5.606 9.673 1.208) 11.245 14.743 ( -11.325 -34.136 -4.037) 36.191 16.051 ( -1.737 14.135 3.809) 14.742 16.619 ( -7.505 1.907 -1.456) 7.880 17.319 ( -10.671 -19.218 1.002) 22.005 19.008 ( -1.157 -1.946 -0.693) 2.368 20.420 ( 12.001 3.888 -0.494) 12.625 21.637 ( -2.333 -7.188 0.418) 7.569 22.868 ( 6.497 12.628 -1.186) 14.250 ======================= Grid point 36 (27/267) ======================= q-point: ( 0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 1.621 -1.979 -0.875) 2.704 2.674 ( 1.201 -4.118 -8.257) 9.305 2.940 ( 4.486 -3.700 3.293) 6.682 3.151 ( -2.366 2.025 1.580) 3.493 3.640 ( 1.962 -3.230 -3.725) 5.306 3.811 ( 8.384 -19.789 -5.554) 22.198 3.963 ( -0.208 -2.686 8.063) 8.501 4.272 ( 7.578 -2.170 8.539) 11.622 4.704 ( -4.069 -0.332 -2.058) 4.572 5.085 ( -2.399 -11.673 -2.276) 12.132 5.374 ( -8.194 -7.334 -1.303) 11.074 5.521 ( -6.867 -6.794 -1.034) 9.715 5.682 ( 2.056 -4.484 5.770) 7.591 5.816 ( 6.601 -3.519 -1.687) 7.669 6.180 ( 2.895 1.877 -0.351) 3.468 6.570 ( -8.059 -3.524 -0.558) 8.813 6.779 ( 11.295 -5.381 -0.161) 12.512 7.734 ( 3.774 -4.485 -0.283) 5.869 8.238 ( 6.165 -24.785 -0.614) 25.548 9.106 ( 4.433 -18.577 2.294) 19.236 9.220 ( 1.904 -6.980 -2.033) 7.515 9.815 ( -7.838 0.720 -2.415) 8.234 10.363 ( -2.804 5.570 0.100) 6.237 11.138 ( -16.409 -0.391 0.741) 16.431 11.884 ( -4.688 0.931 0.471) 4.803 12.234 ( 13.040 -8.676 -0.135) 15.663 13.124 ( -6.934 -3.600 0.069) 7.813 13.709 ( 4.610 9.533 0.731) 10.614 15.192 ( -5.323 -21.304 -5.043) 22.530 15.837 ( 0.394 9.262 6.937) 11.578 16.542 ( -6.735 -0.610 -2.394) 7.174 17.584 ( -6.608 -16.205 0.039) 17.501 19.023 ( -2.582 -1.332 -0.399) 2.933 20.398 ( 8.040 6.416 0.158) 10.288 21.767 ( -0.546 -7.651 0.944) 7.728 22.675 ( 4.676 12.863 -1.353) 13.753 ======================= Grid point 37 (28/267) ======================= q-point: ( 0.57 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -1.409 -0.911 -0.938) 1.922 2.699 ( -2.037 -1.727 -7.576) 8.033 3.026 ( 2.976 1.361 -0.352) 3.292 3.113 ( 2.776 -0.449 4.705) 5.481 3.691 ( 0.749 -2.510 -2.505) 3.625 3.954 ( 1.476 2.887 3.731) 4.943 4.149 ( 3.375 -9.288 -0.933) 9.926 4.395 ( 10.061 -1.865 6.000) 11.862 4.689 ( -1.895 -1.318 -2.645) 3.511 5.261 ( -2.420 -9.661 1.309) 10.045 5.423 ( -5.570 -3.938 -3.503) 7.668 5.518 ( -3.940 0.339 0.368) 3.972 5.765 ( -3.318 -3.859 4.061) 6.512 5.930 ( 6.331 -1.899 2.068) 6.925 6.194 ( 5.838 -0.444 -2.407) 6.330 6.608 ( -3.714 -4.893 -1.404) 6.302 6.851 ( 4.658 2.672 -0.191) 5.373 7.727 ( -5.134 3.982 0.204) 6.501 8.626 ( 7.943 -12.478 -0.806) 14.813 9.375 ( 0.652 -8.643 -0.328) 8.673 9.517 ( 2.838 -22.456 0.791) 22.649 9.858 ( -1.069 -6.540 -1.595) 6.816 10.208 ( 2.087 11.426 -0.588) 11.630 10.842 ( -10.448 13.554 0.681) 17.127 11.903 ( -12.858 -6.657 0.471) 14.487 12.503 ( 12.755 -7.226 -0.350) 14.664 13.148 ( -6.958 -4.056 0.769) 8.090 13.587 ( 3.605 6.950 0.064) 7.830 15.389 ( -1.698 -5.535 -3.341) 6.684 15.753 ( 0.006 2.762 4.303) 5.113 16.563 ( -4.209 -6.815 -0.852) 8.055 17.804 ( -2.351 -11.608 -0.257) 11.846 19.015 ( -3.253 -0.241 -0.727) 3.342 20.314 ( 4.052 7.471 0.543) 8.517 21.900 ( -0.226 -7.028 1.037) 7.108 22.464 ( 2.769 12.939 -1.175) 13.284 ======================= Grid point 38 (29/267) ======================= q-point: (-0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( -2.708 0.847 -1.489) 3.204 2.699 ( -2.078 -2.104 -6.044) 6.729 2.932 ( -0.164 7.548 0.103) 7.550 3.223 ( 5.758 -4.566 2.886) 7.895 3.719 ( 0.986 1.101 -0.147) 1.486 3.888 ( 0.051 4.584 1.310) 4.768 4.213 ( -0.216 2.508 4.704) 5.335 4.492 ( 11.068 1.390 -0.075) 11.155 4.709 ( -0.178 -2.170 -3.273) 3.931 5.330 ( -5.315 1.556 1.008) 5.630 5.442 ( -1.203 0.493 0.777) 1.515 5.516 ( -1.708 -5.518 -0.158) 5.778 5.784 ( -4.618 -0.603 2.072) 5.097 5.985 ( 2.969 -0.536 2.215) 3.743 6.264 ( 9.675 -1.494 -3.077) 10.262 6.622 ( -2.560 3.513 -1.000) 4.460 6.813 ( 1.311 1.317 -0.554) 1.939 7.558 ( -10.484 6.565 1.004) 12.411 8.816 ( 8.044 -1.602 -0.902) 8.251 9.506 ( 4.247 0.047 -0.764) 4.315 9.826 ( 1.019 22.575 0.237) 22.599 9.865 ( -5.096 -9.154 1.102) 10.534 10.002 ( 1.157 -10.699 -0.642) 10.781 10.859 ( 4.017 -18.699 -0.593) 19.135 11.836 ( -14.640 4.206 0.306) 15.236 12.629 ( 8.646 2.612 -0.432) 9.042 13.165 ( -5.950 -3.005 1.142) 6.763 13.508 ( 2.233 4.391 -0.417) 4.944 15.444 ( -0.065 -3.390 0.764) 3.475 15.707 ( -0.962 2.582 -0.949) 2.915 16.703 ( -0.219 -9.376 0.607) 9.398 17.972 ( 1.357 -7.392 0.305) 7.521 18.977 ( -3.713 1.537 -1.699) 4.363 20.199 ( 0.561 6.909 1.020) 7.007 22.022 ( 0.163 -6.013 0.523) 6.038 22.247 ( -0.120 11.412 -0.642) 11.430 ======================= Grid point 39 (30/267) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -3.297 4.781 -2.094) 6.174 2.721 ( -0.121 -1.466 -4.898) 5.114 2.768 ( -1.784 9.424 1.624) 9.727 3.348 ( 4.695 -4.236 0.438) 6.339 3.594 ( -1.093 12.287 1.603) 12.439 3.858 ( 0.019 -0.956 0.293) 1.000 4.140 ( 1.329 6.063 4.613) 7.733 4.471 ( 8.583 9.398 -1.845) 12.861 4.748 ( -0.215 -2.869 -1.347) 3.177 5.194 ( -4.745 8.435 -0.314) 9.683 5.356 ( -2.705 6.372 1.171) 7.021 5.637 ( -0.011 -6.152 0.095) 6.153 5.731 ( -4.079 3.107 1.994) 5.502 6.014 ( 1.687 -0.464 0.911) 1.973 6.349 ( 6.792 6.198 -2.058) 9.423 6.446 ( 1.156 5.400 -0.494) 5.544 6.817 ( -1.595 0.277 -0.776) 1.795 7.391 ( -8.664 4.256 0.918) 9.697 8.768 ( 5.675 12.998 -0.210) 14.185 9.300 ( -2.089 27.627 -0.595) 27.712 9.371 ( 0.871 11.520 -0.174) 11.554 10.112 ( 6.324 -16.660 2.174) 17.952 10.326 ( 0.398 -17.318 -1.406) 17.379 11.301 ( 5.796 -11.838 -0.929) 13.214 11.571 ( -14.304 3.165 0.426) 14.656 12.525 ( 4.621 13.719 -0.039) 14.476 13.181 ( -3.277 -2.238 0.635) 4.019 13.458 ( 0.401 1.700 -0.344) 1.780 15.546 ( -0.446 -7.780 3.603) 8.585 15.659 ( 1.185 1.591 -3.987) 4.453 16.878 ( 2.692 -8.320 0.830) 8.784 18.101 ( 4.672 -4.387 1.974) 6.706 18.888 ( -4.613 4.694 -3.449) 7.430 20.086 ( -1.632 5.251 1.714) 5.760 22.004 ( 1.153 10.564 -1.941) 10.803 22.172 ( -3.365 -6.873 1.493) 7.797 ======================= Grid point 40 (31/267) ======================= q-point: (-0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -2.477 10.399 -1.509) 10.796 2.504 ( -1.242 17.688 -0.400) 17.736 2.757 ( -0.491 -1.362 -0.695) 1.606 3.337 ( -0.163 13.312 -1.480) 13.395 3.439 ( 1.181 -2.399 2.177) 3.448 3.884 ( 1.398 -0.681 0.626) 1.677 4.031 ( 0.466 8.889 1.903) 9.103 4.268 ( 3.728 15.959 -1.269) 16.437 4.799 ( -0.157 -2.300 0.320) 2.327 4.984 ( -3.256 10.027 -0.634) 10.562 5.200 ( -1.625 8.471 0.380) 8.634 5.629 ( -1.208 5.973 0.627) 6.126 5.731 ( -0.306 -4.087 0.749) 4.166 6.010 ( 0.878 14.203 1.767) 14.339 6.054 ( -2.392 5.898 -1.568) 6.555 6.556 ( 15.061 0.940 -1.929) 15.213 6.747 ( -10.524 -0.193 0.271) 10.529 7.227 ( -4.705 10.885 0.224) 11.861 8.440 ( 3.887 25.403 -0.144) 25.699 8.877 ( -1.529 15.870 0.445) 15.949 9.211 ( 0.987 6.927 -0.372) 7.007 10.456 ( 13.658 -8.821 1.143) 16.298 10.609 ( -3.965 -16.400 -0.986) 16.902 10.931 ( -10.871 26.425 -0.004) 28.574 11.855 ( 1.691 -9.985 -0.241) 10.130 12.294 ( 1.396 4.809 0.231) 5.013 13.207 ( -0.962 -2.554 0.166) 2.734 13.461 ( -0.890 -2.231 -0.110) 2.404 15.656 ( 3.098 -0.253 -0.868) 3.227 15.741 ( -0.632 -13.260 0.618) 13.290 17.039 ( 3.391 -6.629 0.416) 7.457 18.218 ( 7.579 -3.022 4.819) 9.476 18.706 ( -6.537 10.148 -5.833) 13.407 19.997 ( -1.904 3.588 2.277) 4.657 21.808 ( -1.140 9.872 -1.677) 10.078 22.293 ( -1.728 -7.426 0.684) 7.655 ======================= Grid point 41 (32/267) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 0.000 16.800 0.000) 16.800 2.090 ( 0.000 26.656 0.000) 26.656 2.756 ( 0.000 1.232 0.000) 1.232 3.123 ( 0.000 10.107 0.000) 10.107 3.435 ( 0.000 7.526 0.000) 7.526 3.737 ( 0.000 19.701 0.000) 19.701 3.905 ( -0.000 -0.331 -0.000) 0.331 4.067 ( 0.000 6.695 0.000) 6.695 4.732 ( 0.000 9.676 0.000) 9.676 4.887 ( -0.000 -0.005 -0.000) 0.005 5.050 ( 0.000 7.111 0.000) 7.111 5.450 ( 0.000 16.500 0.000) 16.500 5.656 ( 0.000 14.504 0.000) 14.504 5.792 ( -0.000 -2.766 -0.000) 2.766 6.069 ( -0.000 -1.566 -0.000) 1.566 6.383 ( 0.000 19.628 0.000) 19.628 6.853 ( -0.000 -10.254 -0.000) 10.254 6.875 ( 0.000 24.991 0.000) 24.991 7.953 ( 0.000 28.090 0.000) 28.090 8.719 ( 0.000 2.081 0.000) 2.081 9.111 ( 0.000 4.847 0.000) 4.847 10.308 ( 0.000 26.627 0.000) 26.627 10.593 ( 0.000 6.145 0.000) 6.145 10.940 ( -0.000 -17.687 -0.000) 17.687 11.697 ( 0.000 13.576 0.000) 13.576 12.567 ( -0.000 -22.741 -0.000) 22.741 13.266 ( -0.000 -4.366 -0.000) 4.366 13.517 ( -0.000 -4.137 -0.000) 4.137 15.683 ( -0.000 -0.583 -0.000) 0.583 16.017 ( -0.000 -16.793 -0.000) 16.793 17.161 ( -0.000 -5.022 -0.000) 5.022 18.348 ( -0.000 -5.229 -0.000) 5.229 18.384 ( 0.000 19.641 0.000) 19.641 19.935 ( 0.000 2.899 0.000) 2.899 21.633 ( 0.000 8.290 0.000) 8.290 22.408 ( -0.000 -5.641 -0.000) 5.641 ======================= Grid point 46 (33/267) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 19.635 0.000 6.902) 20.813 1.328 ( 26.685 0.000 -5.005) 27.150 1.691 ( -7.180 -0.000 -0.580) 7.204 2.163 ( 34.169 0.000 -0.365) 34.171 2.522 ( 2.408 0.000 -3.102) 3.927 2.737 ( 4.361 0.000 -1.143) 4.508 2.855 ( 7.235 0.000 2.623) 7.696 3.667 ( -5.980 -0.000 0.675) 6.018 3.757 ( -15.822 -0.000 2.878) 16.081 4.230 ( 2.139 0.000 0.388) 2.173 4.502 ( -14.360 -0.000 -9.623) 17.286 5.015 ( 10.763 0.000 9.440) 14.316 5.124 ( 0.502 0.000 0.125) 0.517 5.252 ( -5.707 -0.000 2.405) 6.193 5.722 ( 3.344 0.000 -7.178) 7.919 5.964 ( 1.427 0.000 1.490) 2.063 6.370 ( -2.804 -0.000 1.165) 3.037 6.782 ( 3.895 0.000 -0.055) 3.896 6.812 ( 10.852 0.000 3.064) 11.276 8.936 ( -0.836 -0.000 -1.431) 1.657 9.060 ( 8.007 0.000 0.714) 8.038 9.571 ( 4.776 0.000 -0.745) 4.834 9.690 ( -6.275 -0.000 -0.071) 6.275 11.192 ( -9.202 -0.000 -1.007) 9.257 11.345 ( -15.846 -0.000 -1.044) 15.880 12.533 ( 7.745 0.000 -5.922) 9.750 13.452 ( -6.871 -0.000 -2.735) 7.395 13.828 ( 0.730 0.000 0.158) 0.747 14.072 ( 10.307 0.000 0.243) 10.310 15.873 ( -38.691 -0.000 10.715) 40.147 16.583 ( -0.064 -0.000 -0.303) 0.310 17.429 ( 0.069 0.000 0.190) 0.202 18.849 ( 7.481 0.000 -19.100) 20.512 20.141 ( 23.660 0.000 -4.776) 24.137 21.667 ( -19.652 -0.000 -6.442) 20.681 23.653 ( -2.123 -0.000 -0.009) 2.124 ======================= Grid point 47 (34/267) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 17.984 -16.312 4.871) 24.764 1.545 ( 23.869 -8.326 -9.720) 27.083 2.249 ( -5.658 -42.942 -3.170) 43.429 2.404 ( 17.050 -5.743 -0.468) 17.997 2.666 ( 1.805 -14.450 -1.500) 14.639 2.944 ( 8.356 -7.740 3.908) 12.042 3.319 ( 4.657 -46.659 -2.030) 46.935 3.586 ( -7.911 0.400 4.130) 8.933 3.774 ( -11.772 -10.595 1.965) 15.959 4.233 ( 2.100 0.973 1.381) 2.695 4.455 ( -11.469 -8.591 -8.825) 16.829 5.093 ( -3.301 -1.557 2.188) 4.255 5.110 ( 1.266 0.022 1.552) 2.003 5.355 ( 2.034 -10.930 6.500) 12.878 5.767 ( 5.021 -3.587 -10.843) 12.476 5.983 ( 5.241 0.023 2.594) 5.848 6.342 ( -0.880 1.496 1.891) 2.567 6.622 ( 8.826 6.839 1.415) 11.255 7.179 ( 2.600 -14.823 1.709) 15.146 8.855 ( -0.254 4.964 -1.136) 5.098 9.098 ( 8.970 1.832 0.043) 9.155 9.585 ( 5.887 -3.845 -1.454) 7.181 10.035 ( -6.100 -31.126 0.527) 31.723 10.995 ( -22.492 6.533 -0.284) 23.423 11.264 ( -7.593 1.413 0.038) 7.724 12.720 ( -0.346 -14.669 -4.630) 15.386 13.305 ( -6.381 9.277 -2.779) 11.597 13.734 ( 0.247 7.551 -0.475) 7.570 14.155 ( 9.515 0.667 0.406) 9.547 15.817 ( -37.432 -20.930 9.223) 43.867 16.582 ( -0.031 0.309 -0.792) 0.851 17.332 ( 0.166 9.911 0.346) 9.918 18.884 ( 5.062 -2.346 -13.817) 14.901 20.306 ( 16.034 -2.046 2.404) 16.342 21.520 ( -12.400 0.741 -5.902) 13.753 23.526 ( 1.204 10.678 -1.824) 10.899 ======================= Grid point 48 (35/267) ======================= q-point: ( 0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 17.798 -13.466 -3.284) 22.559 1.946 ( 20.528 -17.129 -4.666) 27.140 2.590 ( 1.011 -8.475 -0.610) 8.557 2.692 ( -0.248 -14.223 -5.530) 15.262 2.949 ( 0.295 -10.830 2.373) 11.091 3.298 ( 8.186 -15.793 4.709) 18.401 3.600 ( -6.791 -7.055 6.326) 11.658 3.949 ( -6.908 -21.902 -2.962) 23.156 4.206 ( -0.085 -23.449 1.360) 23.488 4.281 ( -6.176 -18.245 2.059) 19.371 4.648 ( -1.028 -22.156 -6.345) 23.069 5.045 ( -7.334 -0.848 -0.921) 7.440 5.197 ( 2.973 -5.023 3.283) 6.697 5.634 ( 4.872 -12.929 -3.077) 14.156 5.901 ( -5.598 -17.186 -2.546) 18.253 6.106 ( 15.186 -5.549 2.173) 16.314 6.316 ( 0.379 1.510 1.778) 2.363 6.625 ( 6.640 0.555 0.933) 6.729 7.409 ( 5.891 -9.114 1.584) 10.967 8.775 ( -1.136 3.350 -0.956) 3.664 9.130 ( 8.566 1.890 -0.555) 8.789 9.748 ( 2.372 -10.007 -1.595) 10.407 10.518 ( -13.966 -11.754 0.541) 18.262 10.759 ( -2.512 -3.131 0.474) 4.042 11.204 ( -9.847 -7.120 0.287) 12.155 12.897 ( -14.276 -4.797 -0.014) 15.061 13.067 ( -5.766 6.885 -4.677) 10.125 13.687 ( 0.294 -6.229 -1.930) 6.527 14.164 ( 8.016 5.241 0.406) 9.585 16.036 ( -31.012 -25.650 6.796) 40.815 16.561 ( 0.266 1.702 -0.899) 1.944 17.125 ( -0.296 11.280 1.193) 11.347 18.929 ( 1.298 -2.333 -8.018) 8.451 20.451 ( 11.289 -2.094 3.013) 11.871 21.456 ( -4.897 -2.009 -2.908) 6.039 23.326 ( 3.375 12.238 -2.228) 12.889 ======================= Grid point 49 (36/267) ======================= q-point: ( 0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 10.960 -5.035 -1.902) 12.211 2.375 ( 15.682 -14.220 -6.950) 22.281 2.748 ( 1.259 -7.997 0.967) 8.153 2.949 ( 1.054 -16.822 -6.348) 18.011 3.099 ( -1.346 -7.950 4.736) 9.351 3.509 ( 3.832 -4.886 0.274) 6.215 3.731 ( -3.888 -8.534 8.942) 12.958 4.217 ( 3.577 -5.289 2.001) 6.691 4.424 ( -4.749 -18.210 0.169) 18.820 4.614 ( -10.013 -15.971 -4.824) 19.458 5.020 ( -7.020 -8.429 0.721) 10.993 5.097 ( -4.921 -16.021 -0.489) 16.767 5.390 ( 10.395 -10.809 2.127) 15.147 5.754 ( 0.704 -2.251 -6.313) 6.739 6.255 ( 2.622 -2.276 1.405) 3.746 6.366 ( -7.306 -13.779 -1.144) 15.638 6.391 ( 7.086 -15.480 4.148) 17.523 6.811 ( 16.083 -22.117 -0.492) 27.351 7.652 ( 9.964 -10.344 0.738) 14.381 8.733 ( -0.198 -0.917 0.222) 0.964 9.150 ( 6.802 1.665 -1.474) 7.156 9.902 ( -5.639 -4.315 -1.635) 7.287 10.345 ( -21.676 -2.015 -0.171) 21.770 10.813 ( -3.366 1.785 1.286) 4.021 11.573 ( 13.144 -23.512 0.340) 26.939 12.621 ( -8.287 18.165 -0.246) 19.968 13.010 ( -13.617 -3.910 -1.602) 14.258 13.965 ( -1.427 -15.382 -0.731) 15.465 14.134 ( 3.306 -5.586 -1.989) 6.789 16.174 ( -14.714 -3.519 4.501) 15.784 16.556 ( -4.726 -2.869 0.182) 5.532 17.009 ( -3.390 -2.767 1.165) 4.528 18.953 ( -1.631 -2.153 -4.520) 5.266 20.549 ( 9.312 0.613 1.712) 9.488 21.504 ( -0.715 -5.580 -0.256) 5.632 23.126 ( 3.217 11.966 -2.180) 12.581 ======================= Grid point 50 (37/267) ======================= q-point: ( 0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 3.031 -0.811 -1.576) 3.511 2.609 ( 7.483 -4.510 -6.576) 10.935 2.895 ( 3.983 -5.625 2.123) 7.212 3.108 ( -3.954 -4.533 0.371) 6.027 3.457 ( 9.244 -23.889 -4.073) 25.937 3.592 ( 1.212 -2.990 -1.670) 3.633 3.880 ( -1.790 -7.642 9.692) 12.472 4.315 ( 6.851 -1.885 5.974) 9.284 4.614 ( -6.863 -6.129 -2.174) 9.454 4.812 ( -4.173 -14.698 -4.730) 15.994 5.119 ( -11.193 -10.455 1.159) 15.361 5.317 ( -2.643 -11.151 0.797) 11.487 5.651 ( 8.376 -5.960 3.254) 10.783 5.786 ( 3.796 -3.490 -3.807) 6.410 6.243 ( 2.476 2.566 0.175) 3.570 6.420 ( -11.378 -5.127 -0.929) 12.514 6.724 ( 12.303 -10.297 0.855) 16.067 7.518 ( 12.002 -30.784 0.167) 33.041 7.890 ( 5.805 -11.285 -0.810) 12.716 8.862 ( 3.725 -11.925 2.029) 12.657 9.173 ( 4.500 -0.329 -2.200) 5.019 9.780 ( -12.513 4.097 -1.340) 13.235 10.362 ( -6.226 -5.021 -0.908) 8.050 10.817 ( -15.153 -10.999 1.342) 18.772 11.993 ( 14.404 -3.698 0.440) 14.877 12.251 ( -1.998 9.967 -0.265) 10.169 12.988 ( -11.588 -4.477 -0.413) 12.429 13.923 ( 4.095 9.662 0.965) 10.538 14.611 ( -4.872 -34.117 -3.778) 34.669 16.036 ( -2.988 9.582 5.719) 11.552 16.517 ( -5.362 2.296 -2.011) 6.170 17.199 ( -6.377 -18.695 1.044) 19.781 18.967 ( -2.935 -2.110 -2.458) 4.372 20.565 ( 7.384 4.710 0.883) 8.803 21.630 ( 0.909 -7.533 0.865) 7.637 22.926 ( 2.540 11.982 -1.825) 12.383 ======================= Grid point 51 (38/267) ======================= q-point: ( 0.57 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( -0.654 -0.232 -0.926) 1.157 2.661 ( 1.415 -0.231 -5.848) 6.022 3.023 ( 5.049 -4.364 1.516) 6.844 3.133 ( -1.183 -0.187 1.301) 1.769 3.639 ( 0.348 -2.609 -2.520) 3.643 3.908 ( 7.799 -16.707 -5.131) 19.138 4.004 ( 0.307 -4.661 8.592) 9.780 4.429 ( 8.062 -3.070 6.616) 10.872 4.628 ( -4.596 -2.413 -2.438) 5.735 5.036 ( -2.438 -13.024 -1.380) 13.322 5.226 ( -9.805 -9.680 -1.004) 13.815 5.450 ( -2.887 -5.193 0.154) 5.944 5.720 ( 0.476 -1.051 3.033) 3.245 5.938 ( 9.030 -4.061 0.585) 9.919 6.228 ( 3.972 0.740 -1.034) 4.171 6.458 ( -6.294 -6.861 -1.892) 9.501 6.905 ( 5.815 -1.872 0.145) 6.110 7.773 ( 1.899 2.103 -0.025) 2.834 8.332 ( 6.281 -25.560 -0.743) 26.330 9.179 ( 3.764 -17.589 2.103) 18.109 9.231 ( 0.628 -5.249 -1.572) 5.516 9.718 ( -3.864 -5.476 -1.686) 6.911 10.353 ( 2.101 3.193 -0.506) 3.856 10.882 ( -18.334 -3.779 0.663) 18.731 11.807 ( -5.099 8.628 0.439) 10.031 12.438 ( 13.990 -9.840 -0.189) 17.105 13.003 ( -9.457 -5.549 0.219) 10.967 13.768 ( 3.047 9.861 0.531) 10.335 15.111 ( -3.194 -22.859 -3.515) 23.347 15.871 ( 0.380 8.203 5.713) 10.004 16.449 ( -4.486 -0.919 -2.174) 5.069 17.507 ( -3.919 -18.005 0.332) 18.429 18.974 ( -3.069 -1.455 -1.294) 3.635 20.494 ( 4.764 7.881 0.555) 9.226 21.777 ( 1.048 -7.250 1.024) 7.397 22.716 ( 1.890 12.643 -1.332) 12.852 ======================= Grid point 52 (39/267) ======================= q-point: ( 0.64 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( -1.615 -0.042 -0.657) 1.744 2.650 ( -0.871 -0.447 -4.461) 4.568 3.053 ( 1.133 4.976 -0.082) 5.104 3.178 ( 3.150 -4.729 2.074) 6.049 3.689 ( 0.256 -3.090 -1.502) 3.445 3.998 ( 2.277 3.859 2.033) 4.920 4.189 ( 1.776 -6.502 1.784) 6.972 4.552 ( 6.961 -2.471 4.372) 8.584 4.651 ( -0.976 -3.109 -4.496) 5.553 5.231 ( -2.840 -8.589 3.557) 9.721 5.325 ( -4.481 -8.611 -3.748) 10.406 5.479 ( -1.817 -0.428 0.608) 1.963 5.745 ( -1.399 -1.147 2.153) 2.812 6.010 ( 3.150 0.369 1.448) 3.486 6.285 ( 7.037 -2.233 -1.695) 7.575 6.554 ( -2.664 -6.646 -1.537) 7.323 6.900 ( 2.075 4.503 -0.050) 4.959 7.643 ( -5.433 9.063 0.383) 10.574 8.733 ( 6.169 -13.286 -0.760) 14.668 9.394 ( 1.877 -11.862 0.318) 12.014 9.535 ( -0.566 -19.191 -0.818) 19.217 9.839 ( -1.054 -5.862 0.606) 5.987 10.279 ( 7.591 12.873 -1.313) 15.002 10.689 ( -10.453 2.920 0.584) 10.869 11.743 ( -8.424 -3.067 0.335) 8.972 12.668 ( 9.719 -4.860 -0.465) 10.877 13.044 ( -7.232 -5.425 0.752) 9.071 13.629 ( 1.943 7.317 0.056) 7.571 15.357 ( -1.035 -7.834 -1.638) 8.071 15.766 ( -0.151 4.948 2.224) 5.427 16.513 ( -2.253 -9.036 -0.411) 9.322 17.779 ( -1.013 -13.673 -0.017) 13.711 18.966 ( -2.572 -0.024 -0.838) 2.706 20.362 ( 2.091 9.167 0.477) 9.415 21.908 ( 0.481 -6.422 0.763) 6.485 22.487 ( 1.015 13.460 -0.829) 13.524 ======================= Grid point 53 (40/267) ======================= q-point: (-0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -1.437 1.703 -0.757) 2.354 2.662 ( -0.550 -2.387 -2.166) 3.270 2.931 ( -0.000 8.251 0.104) 8.251 3.292 ( 2.298 -4.854 0.744) 5.421 3.731 ( 0.597 0.177 -0.197) 0.653 3.896 ( 0.263 7.066 0.583) 7.095 4.229 ( 0.128 2.027 2.173) 2.975 4.625 ( 5.449 1.380 2.775) 6.269 4.689 ( -0.438 -2.640 -4.451) 5.193 5.263 ( -3.338 1.859 0.799) 3.903 5.428 ( -0.727 1.715 0.374) 1.900 5.503 ( -0.321 -7.780 -0.020) 7.786 5.743 ( -1.739 0.584 0.877) 2.033 6.018 ( 0.852 0.034 0.638) 1.065 6.381 ( 5.807 -3.375 -1.179) 6.819 6.583 ( -1.812 4.142 -0.501) 4.548 6.826 ( 0.545 2.657 -0.234) 2.722 7.438 ( -5.065 7.519 0.520) 9.081 8.898 ( 3.094 -1.200 -0.388) 3.341 9.573 ( 4.328 5.280 -0.700) 6.863 9.768 ( -4.922 -7.919 0.823) 9.360 9.862 ( 0.942 20.115 0.064) 20.137 10.014 ( 0.544 -15.294 -0.199) 15.304 10.911 ( 2.616 -24.136 -0.316) 24.279 11.670 ( -6.767 6.875 0.166) 9.648 12.721 ( 3.659 4.605 -0.263) 5.888 13.099 ( -2.936 -4.509 0.553) 5.409 13.529 ( 0.770 5.007 -0.145) 5.068 15.446 ( -0.023 -4.200 0.353) 4.215 15.693 ( -0.413 2.908 -0.434) 2.969 16.702 ( -0.131 -11.521 0.268) 11.525 17.989 ( 0.695 -9.677 0.171) 9.703 18.928 ( -1.722 2.440 -0.778) 3.086 20.209 ( 0.233 8.322 0.440) 8.337 22.027 ( 0.130 -6.455 0.255) 6.461 22.243 ( -0.106 13.385 -0.307) 13.389 ======================= Grid point 54 (41/267) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 0.000 5.266 0.000) 5.266 2.711 ( -0.000 -3.037 -0.000) 3.037 2.757 ( 0.000 11.221 0.000) 11.221 3.385 ( -0.000 -4.140 -0.000) 4.140 3.591 ( 0.000 13.525 0.000) 13.525 3.859 ( -0.000 -1.626 -0.000) 1.626 4.161 ( 0.000 5.432 0.000) 5.432 4.539 ( 0.000 10.632 0.000) 10.632 4.741 ( -0.000 -3.441 -0.000) 3.441 5.151 ( 0.000 8.566 0.000) 8.566 5.338 ( 0.000 6.821 0.000) 6.821 5.638 ( -0.000 -6.236 -0.000) 6.236 5.704 ( 0.000 3.028 0.000) 3.028 6.028 ( -0.000 -0.600 -0.000) 0.600 6.367 ( 0.000 16.607 0.000) 16.607 6.497 ( -0.000 -6.980 -0.000) 6.980 6.793 ( 0.000 3.376 0.000) 3.376 7.324 ( 0.000 3.855 0.000) 3.855 8.811 ( 0.000 12.658 0.000) 12.658 9.282 ( 0.000 28.247 0.000) 28.247 9.379 ( 0.000 11.691 0.000) 11.691 10.177 ( -0.000 -22.113 -0.000) 22.113 10.318 ( -0.000 -15.518 -0.000) 15.518 11.375 ( 0.000 22.028 0.000) 22.028 11.427 ( -0.000 -28.850 -0.000) 28.850 12.559 ( 0.000 14.252 0.000) 14.252 13.157 ( -0.000 -2.827 -0.000) 2.827 13.460 ( 0.000 2.341 0.000) 2.341 15.549 ( -0.000 -7.751 -0.000) 7.751 15.660 ( 0.000 0.515 0.000) 0.515 16.900 ( -0.000 -9.728 -0.000) 9.728 18.144 ( -0.000 -6.968 -0.000) 6.968 18.841 ( 0.000 6.492 0.000) 6.492 20.078 ( 0.000 5.941 0.000) 5.941 22.006 ( 0.000 12.204 0.000) 12.204 22.153 ( -0.000 -7.312 -0.000) 7.312 ======================= Grid point 61 (42/267) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 14.563 0.000 4.649) 15.287 1.592 ( -5.372 -0.000 0.297) 5.380 1.670 ( 24.898 0.000 -10.894) 27.177 2.545 ( 18.479 0.000 -2.546) 18.653 2.545 ( 2.372 0.000 -2.743) 3.626 2.793 ( 4.125 0.000 -1.660) 4.446 2.972 ( 6.450 0.000 3.821) 7.497 3.579 ( -6.358 -0.000 0.828) 6.412 3.596 ( -8.560 -0.000 6.069) 10.493 4.253 ( -13.306 -0.000 -7.140) 15.101 4.261 ( 1.781 0.000 0.369) 1.818 5.050 ( -6.702 -0.000 1.487) 6.865 5.132 ( 0.490 0.000 0.149) 0.512 5.253 ( -3.475 -0.000 11.742) 12.245 5.779 ( 8.026 0.000 -12.917) 15.207 6.045 ( 12.129 0.000 2.278) 12.341 6.354 ( -0.271 -0.000 1.531) 1.555 6.841 ( 4.044 0.000 -0.074) 4.045 7.011 ( 14.919 0.000 3.509) 15.326 8.899 ( -3.433 -0.000 -1.428) 3.718 9.193 ( 9.355 0.000 0.352) 9.361 9.594 ( -6.485 -0.000 -0.059) 6.485 9.612 ( 1.480 0.000 -1.567) 2.156 10.848 ( -29.904 -0.000 -0.398) 29.906 11.282 ( 0.635 0.000 1.012) 1.195 12.660 ( 12.554 0.000 -4.126) 13.215 13.337 ( -6.860 -0.000 -2.675) 7.363 13.839 ( 0.740 0.000 0.162) 0.758 14.209 ( 8.035 0.000 -0.088) 8.036 15.333 ( -40.794 -0.000 9.836) 41.963 16.581 ( -0.127 -0.000 -0.344) 0.367 17.431 ( 0.076 0.000 0.220) 0.233 18.865 ( 4.818 0.000 -15.086) 15.837 20.383 ( 7.240 0.000 8.358) 11.058 21.442 ( -5.862 -0.000 -6.644) 8.860 23.605 ( -2.746 -0.000 -4.406) 5.191 ======================= Grid point 62 (43/267) ======================= q-point: ( 0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 14.139 -17.806 4.860) 23.250 1.833 ( 22.572 -7.130 -12.435) 26.739 2.168 ( -4.232 -42.987 -1.460) 43.219 2.568 ( 7.572 0.986 -2.741) 8.113 2.688 ( 1.808 -13.910 -0.907) 14.056 3.060 ( 3.835 -9.595 2.432) 10.615 3.360 ( 1.930 -42.050 -1.780) 42.132 3.510 ( -4.746 -0.271 5.178) 7.029 3.652 ( -6.742 -8.675 3.565) 11.551 4.248 ( -4.955 -6.342 -2.488) 8.424 4.288 ( -2.051 -6.306 -2.266) 7.007 4.993 ( -7.195 0.529 -0.190) 7.217 5.146 ( 0.496 -2.316 2.829) 3.689 5.356 ( -5.644 -12.264 6.100) 14.814 5.780 ( 1.641 0.543 -10.475) 10.617 6.179 ( 17.998 -1.187 2.832) 18.258 6.351 ( 1.477 0.916 1.208) 2.116 6.768 ( 9.760 6.573 0.810) 11.795 7.283 ( 11.217 -10.590 2.339) 15.603 8.819 ( -4.000 3.514 -0.856) 5.392 9.236 ( 9.367 2.110 -0.458) 9.613 9.635 ( 1.642 -4.059 -1.888) 4.768 9.941 ( -6.279 -35.553 0.319) 36.105 10.595 ( -29.442 1.938 -0.376) 29.508 11.220 ( -0.782 7.232 1.225) 7.377 12.764 ( 7.921 -1.604 -2.819) 8.559 13.204 ( -5.410 8.311 -2.843) 10.316 13.734 ( -0.072 7.555 -0.443) 7.568 14.279 ( 7.120 0.643 0.102) 7.150 15.308 ( -36.806 -25.047 8.709) 45.364 16.579 ( -0.015 0.220 -0.561) 0.603 17.337 ( 0.257 9.699 0.482) 9.715 18.881 ( 2.104 -1.648 -11.352) 11.662 20.460 ( 2.203 -3.163 7.384) 8.330 21.414 ( 0.812 -0.242 -3.640) 3.737 23.506 ( -1.513 7.139 -4.369) 8.505 ======================= Grid point 63 (44/267) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 16.189 -9.009 -8.135) 20.234 2.206 ( 15.409 -18.356 1.559) 24.017 2.584 ( -1.190 -9.871 0.055) 9.942 2.697 ( 3.885 -11.018 -3.734) 12.265 2.963 ( 0.206 -9.003 1.599) 9.146 3.390 ( 0.888 -18.672 1.458) 18.750 3.529 ( -5.601 -6.548 5.474) 10.208 3.850 ( -4.462 -21.843 -2.031) 22.386 4.089 ( -10.766 -31.563 1.202) 33.370 4.297 ( 1.909 -2.121 2.691) 3.922 4.617 ( 0.136 -28.431 -5.034) 28.874 4.940 ( -6.289 -0.564 -0.283) 6.321 5.265 ( 4.332 -8.904 3.094) 10.374 5.643 ( -2.261 -16.958 1.222) 17.152 5.798 ( -5.019 -11.896 -6.541) 14.474 6.306 ( 4.538 0.084 2.667) 5.265 6.385 ( 12.021 -2.051 1.299) 12.264 6.776 ( 11.168 0.555 0.142) 11.183 7.557 ( 14.464 -9.587 1.607) 17.427 8.736 ( -3.926 1.900 0.017) 4.362 9.251 ( 8.182 3.084 -1.307) 8.841 9.740 ( -2.159 -8.055 -1.634) 8.498 10.184 ( -26.496 3.388 0.259) 26.713 10.819 ( 5.523 -28.540 0.758) 29.079 11.083 ( -6.696 -7.688 0.086) 10.196 12.764 ( -4.235 3.756 0.137) 5.662 12.970 ( -5.166 11.110 -3.402) 12.716 13.705 ( 2.899 -5.578 -1.755) 6.526 14.260 ( 4.715 5.788 0.445) 7.478 15.638 ( -26.632 -31.682 6.774) 41.939 16.561 ( 0.272 1.802 -0.685) 1.946 17.130 ( 0.221 12.013 0.947) 12.053 18.894 ( -1.066 -1.629 -7.177) 7.437 20.563 ( 2.483 -4.456 3.947) 6.449 21.444 ( 3.354 -1.837 -0.473) 3.853 23.332 ( -0.219 9.911 -3.396) 10.479 ======================= Grid point 64 (45/267) ======================= q-point: ( 0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 4.699 -0.874 -4.334) 6.452 2.576 ( 13.450 -8.246 -0.954) 15.806 2.784 ( 2.610 -10.343 1.138) 10.727 2.952 ( 1.950 -11.300 -2.097) 11.657 3.106 ( 0.544 -14.942 -0.190) 14.953 3.547 ( 1.585 -3.171 0.117) 3.547 3.699 ( -5.500 -11.867 6.572) 14.638 4.242 ( 0.011 -16.796 -2.049) 16.920 4.381 ( -3.552 -8.900 2.388) 9.876 4.460 ( -6.526 -18.524 -1.680) 19.712 4.924 ( -5.758 -4.004 1.260) 7.126 5.053 ( -1.209 -17.647 -1.329) 17.738 5.547 ( 9.176 -13.872 2.343) 16.797 5.733 ( -0.035 -2.479 -4.311) 4.973 6.159 ( -11.580 -17.852 -0.458) 21.284 6.301 ( 1.921 1.598 0.851) 2.640 6.604 ( 11.854 -11.157 1.705) 16.368 7.027 ( 11.999 -23.679 -0.502) 26.550 7.824 ( 13.062 -6.264 0.252) 14.489 8.733 ( -0.268 -4.745 1.584) 5.010 9.245 ( 7.317 3.193 -2.045) 8.241 9.775 ( -11.151 4.924 -0.911) 12.224 10.034 ( -18.793 -14.326 -0.331) 23.633 10.766 ( -3.222 8.861 0.834) 9.465 11.772 ( 12.608 -34.644 0.166) 36.867 12.518 ( -5.307 17.966 0.212) 18.734 12.811 ( -11.953 -1.390 -1.574) 12.136 13.973 ( 3.054 -18.840 -1.935) 19.184 14.171 ( 1.394 3.586 0.067) 3.848 15.975 ( -13.871 -16.675 5.223) 22.310 16.519 ( -0.967 2.237 -0.673) 2.528 16.983 ( -1.065 1.115 0.627) 1.665 18.900 ( -2.474 -2.035 -4.058) 5.170 20.648 ( 3.665 -0.996 1.648) 4.140 21.528 ( 2.980 -4.828 0.880) 5.742 23.137 ( 0.233 10.688 -2.319) 10.939 ======================= Grid point 65 (46/267) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 0.037 0.691 -1.653) 1.792 2.689 ( 5.488 1.260 -2.699) 6.245 2.964 ( 3.842 -5.956 1.364) 7.218 3.065 ( -2.240 -6.004 0.244) 6.413 3.559 ( 6.788 -24.774 -3.657) 25.947 3.598 ( 0.350 -2.367 -0.637) 2.476 3.889 ( -2.039 -10.086 6.796) 12.332 4.421 ( 4.297 -4.737 2.966) 7.050 4.508 ( -5.797 -6.749 -1.271) 8.987 4.742 ( -2.547 -16.883 -2.568) 17.266 4.991 ( -6.366 -7.824 0.781) 10.117 5.297 ( -0.691 -10.446 0.463) 10.479 5.715 ( 0.539 -1.087 0.632) 1.368 5.902 ( 11.338 -9.599 0.239) 14.858 6.227 ( -8.094 -3.930 -0.932) 9.045 6.307 ( -0.375 -1.281 -0.891) 1.604 6.856 ( 5.500 -7.927 0.473) 9.660 7.697 ( 11.110 -29.752 0.274) 31.760 7.941 ( 1.350 -4.958 -0.957) 5.227 8.931 ( 3.810 -13.516 2.170) 14.210 9.228 ( 4.101 3.126 -1.811) 5.465 9.611 ( -9.196 -0.551 -0.642) 9.235 10.264 ( -6.100 -16.421 -0.997) 17.545 10.638 ( -8.974 -0.273 0.943) 9.027 12.088 ( -0.295 19.903 0.241) 19.907 12.348 ( 13.960 -13.208 0.007) 19.218 12.797 ( -13.961 -7.296 -0.343) 15.756 13.975 ( 2.434 10.042 0.462) 10.343 14.552 ( -1.750 -32.646 -2.144) 32.763 16.017 ( -2.514 4.246 4.425) 6.628 16.449 ( -2.596 3.498 -1.751) 4.695 17.137 ( -2.776 -17.492 0.559) 17.720 18.916 ( -2.300 -2.249 -1.901) 3.737 20.644 ( 3.182 4.522 0.645) 5.567 21.658 ( 1.841 -6.912 0.907) 7.210 22.938 ( 0.421 11.180 -1.350) 11.269 ======================= Grid point 66 (47/267) ======================= q-point: ( 0.64 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( -0.623 0.247 -0.427) 0.795 2.661 ( 0.709 2.470 -1.981) 3.245 3.089 ( 2.922 -4.751 0.416) 5.593 3.122 ( -1.003 -1.090 0.454) 1.549 3.634 ( 0.005 -2.464 -0.925) 2.632 3.988 ( 5.486 -15.359 -4.625) 16.952 4.031 ( -1.678 -5.478 6.544) 8.697 4.535 ( 2.697 -4.035 3.525) 5.998 4.563 ( -2.039 -4.185 -2.693) 5.378 5.019 ( 0.312 -14.588 0.717) 14.609 5.106 ( -5.187 -9.218 -1.234) 10.649 5.427 ( -0.696 -4.525 0.168) 4.581 5.731 ( 0.025 -0.617 0.874) 1.070 6.046 ( 4.114 0.283 0.972) 4.237 6.286 ( 4.306 -2.468 -0.352) 4.976 6.367 ( -4.970 -9.745 -1.538) 11.046 6.957 ( 1.517 -0.360 0.079) 1.561 7.791 ( 0.618 8.380 0.031) 8.402 8.397 ( 2.514 -27.338 -0.334) 27.455 9.223 ( 1.365 -15.644 0.556) 15.714 9.229 ( -0.084 -4.312 -0.354) 4.327 9.685 ( -0.549 -9.227 -0.452) 9.254 10.434 ( 9.713 -1.053 -0.839) 9.806 10.626 ( -16.275 -4.311 0.729) 16.852 11.754 ( -2.007 11.604 0.182) 11.777 12.626 ( 10.684 -6.983 -0.218) 12.765 12.860 ( -9.202 -8.752 0.237) 12.701 13.800 ( 1.068 10.042 0.190) 10.101 15.069 ( -1.088 -23.269 -1.234) 23.327 15.894 ( 0.181 7.793 2.278) 8.121 16.396 ( -1.609 -1.264 -0.955) 2.258 17.471 ( -1.275 -18.862 0.166) 18.906 18.935 ( -1.334 -1.509 -0.637) 2.112 20.542 ( 1.517 8.407 0.243) 8.546 21.796 ( 0.718 -6.738 0.478) 6.793 22.726 ( 0.389 12.302 -0.569) 12.321 ======================= Grid point 67 (48/267) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 0.000 0.316 0.000) 0.316 2.634 ( 0.000 0.022 0.000) 0.022 3.061 ( 0.000 5.613 0.000) 5.613 3.207 ( -0.000 -5.520 -0.000) 5.520 3.688 ( -0.000 -3.369 -0.000) 3.369 4.022 ( 0.000 4.369 0.000) 4.369 4.208 ( -0.000 -5.494 -0.000) 5.494 4.613 ( -0.000 -3.562 -0.000) 3.562 4.633 ( -0.000 -3.522 -0.000) 3.522 5.216 ( -0.000 -5.420 -0.000) 5.420 5.283 ( -0.000 -12.782 -0.000) 12.782 5.467 ( -0.000 -0.510 -0.000) 0.510 5.740 ( -0.000 -0.257 -0.000) 0.257 6.036 ( 0.000 1.306 0.000) 1.306 6.344 ( -0.000 -2.697 -0.000) 2.697 6.526 ( -0.000 -7.588 -0.000) 7.588 6.914 ( 0.000 4.817 0.000) 4.817 7.600 ( 0.000 11.300 0.000) 11.300 8.780 ( -0.000 -13.443 -0.000) 13.443 9.417 ( -0.000 -15.794 -0.000) 15.794 9.517 ( -0.000 -14.801 -0.000) 14.801 9.833 ( -0.000 -5.935 -0.000) 5.935 10.361 ( 0.000 22.028 0.000) 22.028 10.587 ( -0.000 -10.382 -0.000) 10.382 11.679 ( -0.000 -1.211 -0.000) 1.211 12.753 ( -0.000 -2.549 -0.000) 2.549 12.977 ( -0.000 -7.372 -0.000) 7.372 13.643 ( 0.000 7.451 0.000) 7.451 15.346 ( -0.000 -8.658 -0.000) 8.658 15.770 ( 0.000 5.825 0.000) 5.825 16.495 ( -0.000 -9.817 -0.000) 9.817 17.772 ( -0.000 -14.429 -0.000) 14.429 18.943 ( 0.000 0.093 0.000) 0.093 20.379 ( 0.000 9.688 0.000) 9.688 21.914 ( -0.000 -6.128 -0.000) 6.128 22.491 ( 0.000 13.576 0.000) 13.576 ======================= Grid point 76 (49/267) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -4.123 -0.000 -0.503) 4.154 1.661 ( 10.305 0.000 3.882) 11.012 1.970 ( 23.552 0.000 -12.814) 26.812 2.566 ( 1.786 0.000 -1.780) 2.522 2.695 ( 4.762 0.000 -3.015) 5.636 2.841 ( 3.467 0.000 -1.909) 3.958 3.058 ( 2.110 0.000 3.804) 4.350 3.493 ( -5.724 -0.000 0.849) 5.787 3.551 ( -2.061 -0.000 6.285) 6.615 4.070 ( -8.378 -0.000 -2.411) 8.718 4.285 ( 1.275 0.000 0.294) 1.309 4.947 ( -6.683 -0.000 0.666) 6.717 5.139 ( 0.367 0.000 0.138) 0.392 5.196 ( -7.792 -0.000 6.059) 9.870 5.777 ( -0.633 -0.000 -8.062) 8.087 6.308 ( 13.020 0.000 4.522) 13.783 6.385 ( 7.849 0.000 -1.099) 7.926 6.897 ( 3.409 0.000 -0.073) 3.410 7.304 ( 23.764 0.000 3.248) 23.985 8.816 ( -7.783 -0.000 -0.783) 7.823 9.325 ( 8.260 0.000 -0.452) 8.272 9.506 ( -5.386 -0.000 -0.039) 5.386 9.604 ( -1.393 -0.000 -1.831) 2.300 10.400 ( -29.420 -0.000 -0.434) 29.423 11.306 ( 1.301 0.000 1.587) 2.052 12.869 ( 18.345 0.000 -3.237) 18.629 13.238 ( -4.578 -0.000 -2.653) 5.291 13.850 ( 0.601 0.000 0.133) 0.616 14.295 ( 2.762 0.000 -0.240) 2.772 14.781 ( -38.709 -0.000 8.651) 39.664 16.577 ( -0.146 -0.000 -0.305) 0.339 17.433 ( 0.066 0.000 0.198) 0.209 18.857 ( 1.958 0.000 -10.701) 10.879 20.434 ( -3.227 -0.000 7.212) 7.901 21.432 ( 5.189 0.000 -1.661) 5.448 23.542 ( -2.877 -0.000 -4.851) 5.639 ======================= Grid point 77 (50/267) ======================= q-point: ( 0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 8.995 -20.796 3.653) 22.951 2.098 ( 5.049 -41.353 -1.294) 41.680 2.118 ( 13.732 -6.987 -10.022) 18.381 2.633 ( 3.135 0.716 -1.825) 3.698 2.703 ( 0.175 -13.346 -0.377) 13.352 3.049 ( -5.524 -8.304 -0.184) 9.976 3.375 ( 1.645 -33.113 -1.976) 33.213 3.479 ( -3.101 -3.734 4.655) 6.725 3.601 ( -2.749 -6.310 4.109) 8.016 4.143 ( -4.463 -14.356 -2.619) 15.260 4.307 ( 1.509 -2.078 0.799) 2.689 4.901 ( -5.010 0.443 0.066) 5.030 5.162 ( 0.292 -4.582 2.891) 5.426 5.285 ( -5.543 -12.565 1.959) 13.872 5.737 ( -1.487 1.129 -6.783) 7.035 6.350 ( 1.786 0.823 3.232) 3.783 6.470 ( 13.504 0.636 0.203) 13.521 6.885 ( 5.137 3.090 0.027) 5.995 7.559 ( 25.028 -5.584 2.336) 25.750 8.721 ( -9.664 1.621 -0.064) 9.799 9.355 ( 7.153 2.059 -1.447) 7.583 9.611 ( -4.023 -3.312 -1.202) 5.347 9.870 ( -3.500 -34.357 0.214) 34.536 10.186 ( -23.958 -3.836 -0.536) 24.269 11.224 ( 0.186 9.754 1.175) 9.827 12.908 ( 11.930 8.970 -1.269) 14.980 13.130 ( -2.610 8.428 -2.999) 9.319 13.724 ( -1.062 5.803 -0.376) 5.911 14.363 ( 4.271 0.821 -0.024) 4.349 14.839 ( -30.606 -31.489 6.855) 44.444 16.576 ( -0.021 0.085 -0.361) 0.371 17.343 ( 0.233 9.378 0.394) 9.389 18.853 ( 0.033 -0.648 -7.510) 7.538 20.471 ( -2.599 -5.220 4.398) 7.303 21.470 ( 5.796 0.273 0.343) 5.813 23.459 ( -2.042 5.634 -3.833) 7.113 ======================= Grid point 78 (51/267) ======================= q-point: ( 0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 8.960 -1.863 -6.241) 11.078 2.394 ( 8.130 -21.563 3.457) 23.302 2.590 ( 2.365 -12.841 0.512) 13.067 2.757 ( 5.562 -9.404 -2.227) 11.150 2.967 ( 0.100 -5.562 0.807) 5.621 3.305 ( -10.479 -26.984 -0.932) 28.962 3.517 ( 0.425 -2.950 2.468) 3.870 3.804 ( -0.642 -21.417 -2.083) 21.528 3.962 ( -7.335 -26.204 3.257) 27.405 4.323 ( 0.566 -4.247 1.069) 4.416 4.606 ( 0.538 -28.577 -2.340) 28.677 4.866 ( -3.425 -0.378 -0.168) 3.450 5.344 ( 4.309 -12.655 2.432) 13.588 5.598 ( -4.349 -24.194 2.581) 24.717 5.713 ( -2.252 -3.498 -6.397) 7.630 6.343 ( 1.056 1.493 1.507) 2.369 6.567 ( 9.708 -2.794 1.071) 10.159 6.888 ( 3.621 -1.607 -0.239) 3.968 7.846 ( 21.873 -5.127 0.990) 22.488 8.653 ( -7.838 -2.226 0.926) 8.200 9.357 ( 7.665 2.870 -2.002) 8.426 9.671 ( -8.390 -8.969 -0.478) 12.291 9.831 ( -17.472 8.252 0.040) 19.323 10.888 ( 3.240 -44.675 0.610) 44.796 11.009 ( -3.481 0.701 -0.186) 3.556 12.755 ( 2.053 11.636 0.544) 11.829 12.885 ( -4.794 13.707 -2.234) 14.692 13.746 ( 3.170 -6.997 -1.369) 7.802 14.306 ( 1.400 6.409 0.526) 6.581 15.342 ( -16.020 -37.001 4.193) 40.538 16.562 ( 0.166 1.715 -0.366) 1.761 17.137 ( 0.255 12.242 0.532) 12.256 18.848 ( -1.364 -1.005 -4.167) 4.498 20.587 ( -0.178 -6.830 1.879) 7.086 21.510 ( 4.102 -0.720 0.963) 4.274 23.307 ( -1.008 8.731 -2.334) 9.093 ======================= Grid point 79 (52/267) ======================= q-point: ( 0.57 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 1.024 1.759 -1.808) 2.723 2.730 ( 6.508 -3.569 0.092) 7.423 2.821 ( 1.471 -14.342 1.073) 14.457 2.960 ( -0.760 -1.270 -0.119) 1.485 3.124 ( 2.223 -23.808 -1.368) 23.951 3.557 ( -0.261 -3.588 -0.242) 3.606 3.643 ( -3.406 -14.840 2.412) 15.416 4.227 ( 0.066 -19.689 -2.418) 19.837 4.311 ( -4.162 -15.414 1.635) 16.050 4.436 ( 0.332 -10.064 0.570) 10.085 4.871 ( -1.972 -2.757 0.449) 3.419 5.040 ( -0.186 -18.313 -0.455) 18.320 5.658 ( 3.622 -12.034 1.276) 12.631 5.727 ( 1.308 -8.095 -1.628) 8.360 6.024 ( -5.664 -14.889 -0.567) 15.941 6.325 ( 0.803 1.132 0.336) 1.427 6.734 ( 4.599 -8.369 0.601) 9.568 7.137 ( 3.430 -27.009 -0.245) 27.227 7.996 ( 7.822 1.725 -0.172) 8.011 8.739 ( 0.046 -10.164 1.333) 10.252 9.360 ( 10.270 4.571 -1.795) 11.384 9.561 ( -16.044 4.831 0.592) 16.766 9.853 ( -5.331 -16.846 -0.436) 17.675 10.734 ( -1.267 11.348 0.279) 11.422 11.912 ( 5.416 -44.690 0.069) 45.017 12.477 ( -0.609 20.219 0.233) 20.230 12.665 ( -6.186 4.032 -0.750) 7.421 14.015 ( 2.559 -20.733 -1.187) 20.924 14.175 ( -0.579 7.941 0.510) 7.978 15.845 ( -5.422 -22.702 2.143) 23.439 16.510 ( -0.138 3.959 -0.308) 3.974 16.976 ( -0.211 2.622 0.203) 2.638 18.859 ( -1.127 -1.971 -1.586) 2.769 20.684 ( 0.861 -2.298 0.549) 2.515 21.572 ( 1.733 -3.856 0.608) 4.271 23.127 ( -0.290 9.987 -0.978) 10.039 ======================= Grid point 80 (53/267) ======================= q-point: ( 0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 0.000 1.090 0.000) 1.090 2.727 ( 0.000 3.770 0.000) 3.770 3.000 ( -0.000 -4.807 -0.000) 4.807 3.046 ( -0.000 -7.874 -0.000) 7.874 3.597 ( -0.000 -1.748 -0.000) 1.748 3.608 ( -0.000 -25.637 -0.000) 25.637 3.885 ( -0.000 -11.598 -0.000) 11.598 4.456 ( -0.000 -7.375 -0.000) 7.375 4.460 ( -0.000 -5.558 -0.000) 5.558 4.719 ( -0.000 -17.583 -0.000) 17.583 4.945 ( -0.000 -6.305 -0.000) 6.305 5.294 ( -0.000 -10.226 -0.000) 10.226 5.717 ( -0.000 -1.118 -0.000) 1.118 6.061 ( -0.000 -17.736 -0.000) 17.736 6.085 ( 0.000 0.523 0.000) 0.523 6.313 ( 0.000 0.777 0.000) 0.777 6.896 ( -0.000 -6.812 -0.000) 6.812 7.797 ( -0.000 -37.904 -0.000) 37.904 7.935 ( 0.000 6.368 0.000) 6.368 8.968 ( -0.000 -13.496 -0.000) 13.496 9.261 ( 0.000 6.883 0.000) 6.883 9.534 ( -0.000 -5.982 -0.000) 5.982 10.208 ( -0.000 -22.541 -0.000) 22.541 10.574 ( 0.000 5.570 0.000) 5.570 12.079 ( 0.000 21.825 0.000) 21.825 12.542 ( -0.000 -21.823 -0.000) 21.823 12.609 ( -0.000 -1.337 -0.000) 1.337 13.994 ( 0.000 10.430 0.000) 10.430 14.535 ( -0.000 -32.107 -0.000) 32.107 16.007 ( 0.000 1.761 0.000) 1.761 16.426 ( 0.000 4.289 0.000) 4.289 17.119 ( -0.000 -16.941 -0.000) 16.941 18.893 ( -0.000 -2.299 -0.000) 2.299 20.668 ( 0.000 4.322 0.000) 4.322 21.676 ( -0.000 -6.524 -0.000) 6.524 22.936 ( 0.000 10.846 0.000) 10.846 ======================= Grid point 92 (54/267) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -2.769 -0.000 -0.263) 2.781 1.797 ( 5.950 0.000 1.960) 6.264 2.253 ( 21.726 0.000 -9.734) 23.807 2.580 ( 0.883 0.000 -0.750) 1.159 2.676 ( -6.298 -0.000 -0.668) 6.333 2.876 ( 2.178 0.000 -1.401) 2.590 3.064 ( -2.007 -0.000 1.864) 2.739 3.426 ( -3.610 -0.000 0.601) 3.660 3.564 ( 0.063 0.000 4.135) 4.136 3.986 ( -2.780 -0.000 -0.011) 2.780 4.300 ( 0.672 0.000 0.166) 0.692 4.876 ( -3.277 -0.000 0.478) 3.311 5.116 ( -5.186 -0.000 2.812) 5.899 5.144 ( 0.187 0.000 0.085) 0.205 5.726 ( -1.730 -0.000 -4.557) 4.875 6.371 ( 0.661 0.000 2.218) 2.314 6.572 ( 9.841 0.000 0.210) 9.844 6.937 ( 1.976 0.000 -0.046) 1.977 7.732 ( 31.241 0.000 2.192) 31.318 8.642 ( -16.331 -0.000 -0.120) 16.331 9.421 ( 5.326 0.000 -1.704) 5.593 9.442 ( -3.073 -0.000 -0.018) 3.074 9.560 ( -3.843 -0.000 -0.398) 3.864 10.037 ( -17.722 -0.000 -0.426) 17.727 11.327 ( 0.670 0.000 1.025) 1.225 13.113 ( 6.182 0.000 0.579) 6.209 13.246 ( 17.794 0.000 -5.998) 18.777 13.858 ( 0.337 0.000 0.075) 0.345 14.124 ( -31.923 -0.000 4.914) 32.299 14.450 ( -4.544 -0.000 1.946) 4.943 16.574 ( -0.098 -0.000 -0.180) 0.206 17.435 ( 0.038 0.000 0.118) 0.124 18.835 ( 0.288 0.000 -5.588) 5.596 20.403 ( -3.066 -0.000 3.160) 4.403 21.517 ( 5.027 0.000 0.955) 5.117 23.487 ( -1.937 -0.000 -3.035) 3.600 ======================= Grid point 93 (55/267) ======================= q-point: ( 0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 2.280 -30.058 1.063) 30.163 2.070 ( -0.528 -34.257 -0.195) 34.261 2.384 ( 18.334 -5.086 -4.624) 19.580 2.616 ( -7.102 -7.820 -0.314) 10.568 2.693 ( -0.328 -7.641 0.455) 7.662 2.952 ( -4.687 -5.255 -0.614) 7.068 3.392 ( 1.566 -30.126 -1.797) 30.220 3.455 ( -2.160 -5.553 2.765) 6.568 3.595 ( -0.481 -3.636 1.931) 4.145 4.096 ( -1.194 -14.844 -0.765) 14.911 4.325 ( 0.598 -2.988 0.362) 3.069 4.852 ( -1.663 0.592 0.046) 1.766 5.184 ( 1.020 -8.683 2.793) 9.178 5.224 ( -2.958 -10.434 -1.038) 10.894 5.695 ( -0.899 1.005 -2.548) 2.883 6.372 ( 0.408 0.720 1.036) 1.326 6.611 ( 4.943 0.821 0.350) 5.023 6.924 ( 0.809 2.280 -0.049) 2.420 7.965 ( 24.263 -1.140 1.083) 24.314 8.525 ( -15.517 -2.155 0.159) 15.666 9.430 ( 4.241 0.165 -2.403) 4.878 9.525 ( -5.962 -1.025 1.218) 6.171 9.829 ( -2.243 -15.219 -0.042) 15.384 9.954 ( -6.608 -24.064 -0.329) 24.956 11.230 ( 0.064 10.726 0.457) 10.736 13.034 ( 2.530 10.536 0.917) 10.874 13.128 ( 4.616 19.663 -2.835) 20.395 13.700 ( -1.682 0.108 -0.102) 1.689 14.403 ( 1.250 2.200 0.063) 2.531 14.523 ( -13.067 -39.358 2.784) 41.564 16.575 ( -0.009 -0.010 -0.127) 0.128 17.347 ( 0.094 9.149 0.151) 9.151 18.826 ( -0.277 -0.011 -2.624) 2.639 20.453 ( -1.188 -6.339 1.305) 6.580 21.541 ( 2.676 0.622 0.710) 2.837 23.423 ( -0.925 5.100 -1.500) 5.395 ======================= Grid point 94 (56/267) ======================= q-point: ( 0.57 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 0.000 0.644 0.000) 0.644 2.464 ( -0.000 -23.227 -0.000) 23.227 2.620 ( -0.000 -12.102 -0.000) 12.102 2.806 ( -0.000 -8.825 -0.000) 8.825 2.983 ( 0.000 0.060 0.000) 0.060 3.187 ( -0.000 -34.394 -0.000) 34.394 3.529 ( -0.000 -2.969 -0.000) 2.969 3.799 ( -0.000 -21.392 -0.000) 21.392 3.913 ( -0.000 -24.408 -0.000) 24.408 4.328 ( -0.000 -5.447 -0.000) 5.447 4.606 ( -0.000 -27.941 -0.000) 27.941 4.841 ( -0.000 -0.289 -0.000) 0.289 5.389 ( -0.000 -13.702 -0.000) 13.702 5.563 ( -0.000 -27.102 -0.000) 27.102 5.683 ( -0.000 -0.513 -0.000) 0.513 6.355 ( 0.000 1.472 0.000) 1.472 6.647 ( -0.000 -3.225 -0.000) 3.225 6.905 ( -0.000 -2.272 -0.000) 2.272 8.061 ( 0.000 0.862 0.000) 0.862 8.563 ( -0.000 -8.077 -0.000) 8.077 9.475 ( 0.000 1.250 0.000) 1.250 9.497 ( -0.000 -2.843 -0.000) 2.843 9.734 ( 0.000 4.981 0.000) 4.981 10.915 ( -0.000 -61.022 -0.000) 61.022 10.981 ( 0.000 15.122 0.000) 15.122 12.804 ( 0.000 13.388 0.000) 13.388 12.815 ( 0.000 15.979 0.000) 15.979 13.770 ( -0.000 -7.706 -0.000) 7.706 14.315 ( 0.000 6.595 0.000) 6.595 15.230 ( -0.000 -39.274 -0.000) 39.274 16.563 ( 0.000 1.670 0.000) 1.670 17.140 ( 0.000 12.285 0.000) 12.285 18.827 ( -0.000 -0.776 -0.000) 0.776 20.588 ( -0.000 -7.626 -0.000) 7.626 21.545 ( -0.000 -0.311 -0.000) 0.311 23.293 ( 0.000 8.391 0.000) 8.391 ======================= Grid point 109 (57/267) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 0.000 0.000 0.000) 0.000 1.846 ( 0.000 0.000 0.000) 0.000 2.507 ( 0.000 0.000 -0.000) 0.000 2.512 ( -0.000 -0.000 0.000) 0.000 2.585 ( 0.000 0.000 0.000) 0.000 2.890 ( 0.000 0.000 0.000) 0.000 3.049 ( 0.000 0.000 0.000) 0.000 3.399 ( 0.000 0.000 0.000) 0.000 3.576 ( 0.000 0.000 0.000) 0.000 3.969 ( 0.000 0.000 0.000) 0.000 4.306 ( 0.000 0.000 0.000) 0.000 4.854 ( 0.000 0.000 0.000) 0.000 5.082 ( 0.000 0.000 0.000) 0.000 5.146 ( 0.000 0.000 0.000) 0.000 5.702 ( 0.000 0.000 0.000) 0.000 6.381 ( 0.000 0.000 0.000) 0.000 6.643 ( 0.000 0.000 0.000) 0.000 6.951 ( -0.000 -0.000 0.000) 0.000 8.085 ( -0.000 -0.000 0.000) 0.000 8.414 ( 0.000 0.000 0.000) 0.000 9.419 ( 0.000 0.000 0.000) 0.000 9.464 ( -0.000 -0.000 0.000) 0.000 9.514 ( 0.000 0.000 -0.000) 0.000 9.908 ( -0.000 -0.000 0.000) 0.000 11.334 ( 0.000 0.000 0.000) 0.000 13.122 ( 0.000 0.000 0.000) 0.000 13.601 ( -0.000 -0.000 0.000) 0.000 13.679 ( 0.000 0.000 0.000) 0.000 13.860 ( 0.000 0.000 0.000) 0.000 14.441 ( 0.000 0.000 0.000) 0.000 16.573 ( 0.000 0.000 0.000) 0.000 17.435 ( 0.000 0.000 0.000) 0.000 18.824 ( 0.000 0.000 0.000) 0.000 20.386 ( 0.000 0.000 0.000) 0.000 21.559 ( 0.000 0.000 0.000) 0.000 23.465 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 203 (58/267) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( 2.818 0.000 21.416) 21.601 0.581 ( 4.783 0.000 27.082) 27.501 0.957 ( -17.782 -0.000 43.501) 46.995 1.904 ( -0.628 -0.000 -0.349) 0.719 2.399 ( 0.305 0.000 -6.644) 6.651 2.448 ( 8.230 0.000 -15.766) 17.785 2.638 ( -0.775 -0.000 1.367) 1.571 3.818 ( 0.325 0.000 -0.331) 0.464 4.137 ( 12.652 0.000 -18.440) 22.363 4.162 ( 0.077 0.000 0.544) 0.549 4.326 ( 10.608 0.000 2.159) 10.826 5.068 ( -13.967 -0.000 -8.150) 16.171 5.116 ( -0.073 -0.000 0.393) 0.400 5.787 ( -4.455 -0.000 6.872) 8.190 5.846 ( 6.432 0.000 4.322) 7.750 5.990 ( -0.160 -0.000 7.324) 7.326 6.574 ( -3.011 -0.000 -0.240) 3.021 6.682 ( 0.005 0.000 -0.054) 0.054 7.129 ( 50.615 0.000 -1.292) 50.631 8.814 ( -0.569 -0.000 -0.937) 1.096 8.970 ( -12.454 -0.000 -0.419) 12.461 9.351 ( -0.495 -0.000 -0.697) 0.855 9.721 ( -58.484 -0.000 0.148) 58.485 9.849 ( -0.029 -0.000 -0.056) 0.063 11.826 ( 0.740 0.000 -0.355) 0.820 11.831 ( 5.446 0.000 0.056) 5.447 13.555 ( 0.174 0.000 -0.150) 0.230 13.786 ( 0.243 0.000 -0.417) 0.483 13.809 ( 0.038 0.000 0.125) 0.131 16.544 ( 19.053 0.000 5.001) 19.698 16.583 ( -0.048 -0.000 -0.220) 0.225 17.428 ( 0.027 0.000 0.133) 0.136 18.478 ( -97.481 -0.000 0.089) 97.481 18.725 ( 4.620 0.000 -4.305) 6.314 22.483 ( 1.550 0.000 -0.759) 1.726 23.332 ( 44.330 0.000 1.426) 44.353 ======================= Grid point 204 (59/267) ======================= q-point: ( 0.07 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 3.536 -16.507 19.633) 25.893 0.865 ( -3.659 -10.609 24.947) 27.355 1.385 ( 13.865 -41.123 12.396) 45.133 2.389 ( -0.299 -18.616 -6.400) 19.688 2.510 ( 6.318 -13.723 -7.291) 16.774 2.692 ( 2.157 -42.964 -1.369) 43.039 3.363 ( -7.652 -28.048 -15.133) 32.776 3.841 ( -3.102 -5.248 -1.288) 6.231 4.099 ( -1.232 5.966 2.977) 6.781 4.297 ( -0.181 -15.705 -20.205) 25.591 4.399 ( 13.530 -0.401 3.109) 13.888 4.977 ( -11.617 -3.591 -9.606) 15.496 5.124 ( -1.631 -1.021 1.579) 2.489 5.634 ( -12.037 9.824 11.148) 19.123 5.859 ( 2.526 0.596 0.993) 2.779 5.985 ( 2.447 1.016 9.570) 9.930 6.169 ( 12.813 -4.992 7.513) 15.670 6.551 ( -4.147 -0.561 -1.505) 4.447 7.811 ( -10.656 -0.931 -4.843) 11.742 8.799 ( -11.627 -3.101 -0.692) 12.053 8.933 ( 3.001 0.040 0.446) 3.034 9.413 ( -9.947 -11.186 -0.797) 14.990 9.767 ( 22.849 -3.855 1.605) 23.228 11.606 ( -20.101 -14.779 -9.831) 26.816 11.773 ( -2.853 4.640 -0.338) 5.457 12.564 ( 12.455 -110.825 -90.466) 143.602 13.576 ( -3.997 -6.544 -3.833) 8.572 13.719 ( 2.062 7.890 -0.290) 8.160 13.831 ( -1.736 -12.764 -6.217) 14.303 16.576 ( -2.163 -3.315 2.655) 4.767 16.961 ( 29.019 -10.684 -7.217) 31.754 17.403 ( 2.154 2.233 -0.307) 3.118 18.136 ( -56.811 -28.745 -1.716) 63.693 18.898 ( 27.445 -2.882 1.417) 27.633 22.431 ( -13.633 3.605 1.242) 14.156 23.008 ( 31.047 42.538 13.824) 54.447 ======================= Grid point 205 (60/267) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 0.707 -23.480 14.617) 27.667 1.205 ( 10.291 -18.376 5.064) 21.662 2.262 ( 10.701 -38.857 -2.887) 40.407 2.537 ( 5.606 -6.266 -11.551) 14.287 2.794 ( 4.017 -14.011 7.688) 16.479 3.422 ( -9.508 -11.800 -5.696) 16.189 3.786 ( 1.122 -25.736 0.556) 25.766 4.023 ( 1.211 2.128 5.513) 6.032 4.044 ( -0.077 -32.805 1.186) 32.826 4.509 ( 7.951 -4.795 2.134) 9.527 4.591 ( 0.239 -16.454 -11.522) 20.089 5.030 ( -2.835 -10.238 -12.204) 16.180 5.150 ( -4.617 -4.742 5.232) 8.437 5.550 ( -5.575 -5.819 0.048) 8.059 5.886 ( 0.934 -0.946 2.337) 2.689 6.025 ( 0.939 -2.772 2.600) 3.915 6.428 ( 2.172 -5.763 9.352) 11.198 6.628 ( 1.113 -17.537 -4.620) 18.170 7.617 ( -7.615 10.213 0.452) 12.748 8.757 ( -5.535 0.582 -0.549) 5.593 8.957 ( 0.151 -1.573 -0.653) 1.710 9.594 ( -7.124 -15.967 -0.079) 17.484 10.090 ( 20.430 -13.160 0.848) 24.316 11.434 ( -12.099 10.521 0.117) 16.034 11.638 ( -5.407 5.935 -0.050) 8.029 13.107 ( 1.844 6.519 -15.869) 17.254 13.491 ( -3.200 8.313 -2.389) 9.223 13.708 ( 7.979 2.580 -1.263) 8.480 14.465 ( -31.942 -52.550 -39.200) 72.928 16.586 ( -6.374 1.794 5.617) 8.683 17.101 ( -4.269 0.817 0.686) 4.400 17.430 ( -3.811 -6.102 4.037) 8.249 18.482 ( -8.151 -27.753 -20.303) 35.339 19.248 ( 33.622 -9.864 1.586) 35.075 22.117 ( -15.656 14.695 7.449) 22.728 22.734 ( 23.994 15.714 4.452) 29.025 ======================= Grid point 206 (61/267) ======================= q-point: ( 0.21 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 8.114 -16.969 3.604) 19.151 1.686 ( 6.272 -27.631 0.424) 28.337 2.679 ( 6.210 -7.112 -7.303) 11.936 2.769 ( 0.724 -14.340 -10.140) 17.578 3.195 ( 5.885 -21.683 7.139) 23.574 3.461 ( -7.303 -4.501 0.079) 8.579 3.922 ( -1.339 -2.845 4.774) 5.716 4.052 ( 1.411 -1.268 4.768) 5.132 4.628 ( 2.297 -8.525 -5.391) 10.345 4.717 ( -0.382 -20.387 1.619) 20.455 4.919 ( 8.917 -13.408 -0.312) 16.105 5.214 ( 2.147 -13.417 2.983) 13.911 5.268 ( -1.727 -10.758 -7.057) 12.981 5.756 ( -9.790 -17.552 -0.418) 20.102 5.921 ( 0.169 -2.920 3.481) 4.547 6.142 ( 6.274 -7.578 -2.716) 10.207 6.533 ( -4.298 -12.136 3.393) 13.315 7.087 ( 11.587 -20.962 -0.689) 23.962 7.410 ( -13.897 0.315 1.034) 13.939 8.705 ( -1.351 1.674 0.139) 2.155 8.992 ( -0.327 -2.729 -1.719) 3.241 9.885 ( -0.770 -18.155 -0.381) 18.175 10.518 ( 14.694 -18.397 0.669) 23.554 11.122 ( -11.918 12.948 0.634) 17.609 11.519 ( -5.703 1.201 0.281) 5.835 12.850 ( -0.707 17.552 -5.646) 18.452 13.334 ( -1.980 5.919 -1.336) 6.383 13.693 ( 9.088 5.711 -0.900) 10.771 14.890 ( -27.760 -29.345 -23.228) 46.597 16.434 ( -5.090 11.238 10.318) 16.082 17.001 ( -10.645 2.507 -0.568) 10.951 17.565 ( -11.805 -12.871 4.206) 17.964 18.790 ( 0.318 -13.394 -9.926) 16.674 19.666 ( 28.284 -8.647 0.220) 29.577 21.844 ( -9.675 5.557 2.862) 11.519 22.661 ( 15.498 10.292 0.582) 18.613 ======================= Grid point 207 (62/267) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 5.246 -12.754 -0.694) 13.808 2.195 ( 6.310 -21.944 -4.110) 23.200 2.825 ( 2.755 -4.749 -0.033) 5.490 2.958 ( 4.177 -10.862 -11.800) 16.574 3.418 ( -1.366 -2.114 2.175) 3.327 3.578 ( -7.424 -10.898 0.246) 13.188 4.035 ( 2.155 -8.559 5.932) 10.634 4.069 ( 1.585 1.635 3.654) 4.306 4.786 ( 3.170 -5.893 -1.640) 6.890 4.937 ( -4.314 -10.284 3.091) 11.572 5.150 ( 8.995 -6.594 0.949) 11.193 5.377 ( -1.087 -9.796 -4.811) 10.967 5.611 ( 3.668 -16.415 -2.748) 17.042 5.856 ( -6.680 -3.207 3.787) 8.322 6.055 ( 4.691 -9.454 2.874) 10.938 6.252 ( -3.492 -2.819 -1.454) 4.717 6.829 ( -0.396 -10.290 0.474) 10.309 7.280 ( 10.437 -5.782 1.338) 12.006 7.714 ( -10.751 -32.949 -0.860) 34.669 8.726 ( 2.156 -5.440 0.876) 5.917 9.048 ( -0.230 -4.421 -2.617) 5.143 10.136 ( -5.073 -7.923 -1.468) 9.522 10.749 ( -9.317 6.905 1.679) 11.718 11.028 ( 15.206 -13.522 0.125) 20.349 11.576 ( -6.268 -12.944 0.375) 14.387 12.467 ( -2.688 21.038 -2.656) 21.375 13.247 ( -1.261 2.124 -0.468) 2.514 13.629 ( 7.884 7.697 -1.344) 11.100 15.111 ( -15.700 -18.293 -14.624) 28.195 16.189 ( -3.399 13.904 11.912) 18.622 16.879 ( -11.685 1.441 -0.866) 11.806 17.713 ( -11.830 -11.805 2.191) 16.856 18.956 ( 0.894 -6.592 -4.071) 7.800 19.948 ( 19.616 -3.120 1.026) 19.889 21.775 ( -5.749 -3.055 0.079) 6.510 22.572 ( 11.548 10.542 -0.295) 15.638 ======================= Grid point 208 (63/267) ======================= q-point: ( 0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 2.537 -7.545 -3.164) 8.566 2.523 ( 2.095 -12.294 -6.057) 13.865 2.891 ( 0.390 -2.189 0.124) 2.227 3.130 ( 5.808 -2.142 -8.335) 10.382 3.482 ( -0.357 -7.452 4.124) 8.524 3.691 ( -2.699 -8.860 -3.014) 9.740 4.037 ( 0.560 3.207 2.507) 4.109 4.223 ( 0.808 -7.935 3.076) 8.549 4.846 ( -2.859 -1.449 5.054) 5.984 5.127 ( -1.084 -11.369 2.117) 11.616 5.298 ( 6.851 -3.777 -2.820) 8.316 5.558 ( 3.709 -8.045 -5.998) 10.699 5.773 ( -0.079 -3.041 2.289) 3.807 5.863 ( -10.415 -3.858 1.902) 11.268 6.221 ( -3.037 0.080 1.186) 3.261 6.376 ( 11.715 -13.009 2.332) 17.661 6.838 ( -6.190 0.835 0.674) 6.283 7.528 ( 10.141 -7.315 0.989) 12.543 8.217 ( -6.468 -27.933 -0.809) 28.684 8.979 ( 5.436 -18.336 1.029) 19.152 9.152 ( 0.299 -8.380 -2.776) 8.833 10.048 ( -10.117 7.722 -2.315) 12.936 10.535 ( -7.386 9.163 1.106) 11.821 11.380 ( 7.011 -5.257 0.363) 8.771 11.783 ( 2.084 -8.079 -0.240) 8.347 12.174 ( -4.412 0.173 -0.394) 4.433 13.233 ( -0.372 -1.057 0.201) 1.138 13.534 ( 5.689 7.453 -1.867) 9.560 15.274 ( -5.193 -10.829 -9.127) 15.084 15.962 ( -1.958 10.849 9.700) 14.685 16.783 ( -10.325 -0.025 0.184) 10.327 17.826 ( -8.713 -8.568 0.538) 12.232 19.038 ( 0.433 -2.815 -1.847) 3.395 20.091 ( 12.560 -0.072 0.773) 12.584 21.840 ( -3.720 -7.065 -0.373) 7.993 22.450 ( 9.043 10.813 -0.295) 14.099 ======================= Grid point 209 (64/267) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 0.787 -3.227 -4.094) 5.272 2.666 ( -2.476 -5.688 -7.623) 9.828 2.933 ( 1.133 -2.080 -1.239) 2.673 3.101 ( 2.544 4.623 -0.269) 5.283 3.627 ( 0.965 -6.012 0.266) 6.094 3.888 ( 5.141 -9.625 -3.352) 11.415 3.980 ( -0.437 2.324 0.624) 2.445 4.325 ( -0.384 -2.474 1.035) 2.710 4.847 ( -4.890 -0.505 7.505) 8.972 5.321 ( -0.530 -9.888 2.600) 10.238 5.378 ( 4.330 -1.139 -5.149) 6.823 5.618 ( 1.058 1.265 -1.146) 2.008 5.841 ( 0.338 -1.904 -0.393) 1.974 5.857 ( -2.815 -2.240 1.662) 3.963 6.195 ( -4.410 -0.372 2.961) 5.325 6.632 ( 7.018 -5.164 1.917) 8.921 6.794 ( -5.059 -1.108 0.342) 5.191 7.701 ( 8.104 -5.015 2.353) 9.816 8.549 ( -4.764 -11.927 -1.376) 12.917 9.338 ( 1.701 -12.772 -1.588) 12.982 9.435 ( 3.147 -23.523 1.195) 23.763 9.850 ( -3.639 3.744 -3.169) 6.108 10.279 ( -4.341 14.733 0.189) 15.360 11.115 ( -7.952 22.570 -0.634) 23.939 12.064 ( 16.513 -10.872 0.351) 19.774 12.293 ( -10.891 -10.865 0.553) 15.394 13.270 ( 1.019 -2.107 0.571) 2.409 13.450 ( 2.596 4.263 -2.183) 5.448 15.381 ( -0.488 -4.963 -3.213) 5.932 15.817 ( -0.740 6.050 3.876) 7.223 16.733 ( -6.247 -1.011 1.799) 6.579 17.901 ( -4.450 -4.952 -0.465) 6.674 19.063 ( -0.218 -0.368 -1.105) 1.185 20.157 ( 6.613 0.383 0.365) 6.635 21.949 ( -2.807 -6.905 -0.610) 7.479 22.323 ( 6.065 8.737 0.247) 10.639 ======================= Grid point 210 (65/267) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( -0.309 -0.453 -4.226) 4.261 2.683 ( -3.972 -1.728 -9.135) 10.110 2.940 ( -0.554 2.512 -0.440) 2.610 3.080 ( 4.230 -0.565 0.946) 4.371 3.723 ( -0.703 -4.016 1.577) 4.372 3.886 ( 2.275 5.048 -0.458) 5.556 4.084 ( 5.216 -4.276 -6.268) 9.208 4.309 ( -1.315 3.773 2.171) 4.548 4.831 ( -4.170 -0.062 7.108) 8.241 5.363 ( 1.702 3.899 -3.155) 5.297 5.495 ( -0.375 -8.278 3.138) 8.861 5.594 ( -0.237 1.177 0.434) 1.277 5.823 ( -1.261 1.150 -0.611) 1.813 5.890 ( 6.486 2.023 -1.084) 6.880 6.178 ( -4.260 -0.023 3.654) 5.613 6.684 ( -0.980 0.617 1.062) 1.571 6.799 ( -0.900 -0.579 0.623) 1.238 7.808 ( 0.001 -0.924 3.496) 3.616 8.611 ( -0.544 0.315 -1.914) 2.014 9.451 ( -0.450 -0.033 -0.069) 0.456 9.782 ( 0.074 8.754 0.046) 8.754 9.892 ( 2.310 -14.729 -3.985) 15.432 10.024 ( -1.263 3.733 1.376) 4.174 10.779 ( -0.064 1.700 -1.449) 2.234 12.289 ( 13.290 -0.376 0.224) 13.297 12.300 ( -13.649 0.552 0.790) 13.683 13.301 ( 1.886 0.526 0.697) 2.078 13.415 ( -0.844 -0.250 -2.311) 2.473 15.461 ( 0.409 -4.989 1.825) 5.328 15.715 ( -0.639 5.861 -1.616) 6.113 16.735 ( -0.208 -1.184 2.783) 3.032 17.939 ( 0.339 -1.099 -0.551) 1.275 19.044 ( -1.210 1.583 -1.379) 2.423 20.186 ( 0.936 -0.638 0.418) 1.208 22.001 ( 0.790 1.548 -1.306) 2.174 22.265 ( -0.851 -1.539 1.094) 2.071 ======================= Grid point 211 (66/267) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -2.335 2.650 -4.614) 5.811 2.653 ( -2.153 0.577 -8.638) 8.921 2.863 ( -2.528 3.924 2.251) 5.182 3.137 ( 4.077 -1.202 -3.541) 5.532 3.711 ( -3.517 5.102 1.991) 6.509 3.855 ( 2.609 -0.373 -1.540) 3.052 4.085 ( 5.098 6.566 -5.158) 9.783 4.216 ( 0.479 6.031 5.165) 7.955 4.836 ( -2.298 -1.661 6.405) 7.005 5.257 ( -0.364 7.500 -1.873) 7.739 5.512 ( -4.913 4.282 1.585) 6.707 5.630 ( 1.275 -1.756 -1.602) 2.697 5.794 ( 1.508 1.118 -0.040) 1.878 5.905 ( 10.955 2.716 0.682) 11.307 6.141 ( -3.738 1.324 2.408) 4.640 6.617 ( -7.022 4.714 1.701) 8.627 6.792 ( 1.925 1.199 0.252) 2.282 7.735 ( -8.981 4.931 3.098) 10.704 8.536 ( 4.921 11.229 -1.728) 12.381 9.331 ( -2.814 17.858 -2.263) 18.219 9.402 ( -1.207 15.736 0.951) 15.811 9.973 ( 3.324 -0.367 -0.347) 3.362 10.231 ( 4.099 -15.911 -0.996) 16.461 11.085 ( 8.279 -22.770 -1.237) 24.260 12.068 ( -16.585 11.348 0.439) 20.100 12.285 ( 10.824 10.381 0.416) 15.003 13.279 ( 0.556 2.656 0.887) 2.854 13.438 ( -2.277 -4.179 -2.561) 5.404 15.546 ( -1.019 5.661 -6.530) 8.702 15.625 ( 2.346 -5.778 6.734) 9.178 16.780 ( 5.239 -0.824 2.630) 5.920 17.946 ( 5.943 2.806 0.528) 6.593 18.978 ( -2.931 3.680 -2.781) 5.465 20.200 ( -4.324 -2.221 1.137) 4.993 21.916 ( 2.619 7.551 -1.127) 8.071 22.351 ( -6.362 -9.014 0.660) 11.052 ======================= Grid point 212 (67/267) ======================= q-point: (-0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( -5.316 7.211 -4.992) 10.255 2.554 ( -3.828 7.690 -4.741) 9.811 2.798 ( -2.408 1.573 1.508) 3.248 3.126 ( 2.953 4.682 -9.402) 10.910 3.559 ( -3.033 7.235 1.949) 8.084 3.856 ( 3.543 4.280 -2.850) 6.245 3.994 ( 4.752 5.322 3.348) 7.881 4.097 ( 1.071 8.753 4.505) 9.902 4.880 ( -1.640 -2.717 5.830) 6.638 5.085 ( -2.792 9.406 -1.659) 9.951 5.343 ( -6.539 9.315 0.570) 11.395 5.585 ( 3.875 6.533 -4.654) 8.908 5.812 ( -0.067 -0.917 2.216) 2.400 5.912 ( 10.862 7.835 2.681) 13.659 6.111 ( -0.929 0.023 -1.446) 1.719 6.400 ( -13.090 10.677 3.197) 17.191 6.812 ( 5.052 -0.828 0.042) 5.120 7.536 ( -11.034 10.158 1.110) 15.039 8.210 ( 6.492 28.032 -0.930) 28.789 8.978 ( -2.807 14.253 0.736) 14.546 9.162 ( -2.004 9.892 -2.139) 10.317 10.111 ( 10.123 -5.799 -1.235) 11.731 10.507 ( 6.612 -10.568 0.599) 12.480 11.366 ( -6.088 3.921 -0.019) 7.241 11.766 ( -2.556 9.427 -0.530) 9.781 12.186 ( 5.077 -0.963 -0.094) 5.169 13.245 ( 0.462 1.003 0.514) 1.218 13.514 ( -3.984 -7.006 -2.379) 8.403 15.341 ( 6.372 14.345 -8.939) 18.064 15.873 ( 1.180 -15.647 8.823) 18.002 16.848 ( 8.863 -0.394 1.702) 9.033 17.932 ( 13.250 6.752 3.288) 15.230 18.848 ( -6.188 6.158 -5.848) 10.507 20.213 ( -8.675 -4.181 2.908) 10.059 21.785 ( 1.457 7.868 -1.404) 8.124 22.470 ( -8.633 -9.554 -0.015) 12.876 ======================= Grid point 213 (68/267) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -8.093 12.935 -5.224) 16.128 2.271 ( -9.810 17.543 2.374) 20.240 2.744 ( -0.225 4.111 -3.977) 5.725 3.000 ( 2.299 6.860 -9.101) 11.626 3.447 ( -0.866 6.102 -0.220) 6.167 3.665 ( 2.981 17.923 -0.140) 18.170 3.962 ( 6.710 5.014 7.996) 11.580 4.008 ( -2.606 0.562 2.584) 3.712 4.858 ( -5.722 7.803 -1.007) 9.729 4.910 ( -0.947 6.025 3.132) 6.856 5.135 ( -4.940 6.227 -0.023) 7.948 5.444 ( 2.790 12.275 -1.981) 12.743 5.737 ( 0.136 10.191 -0.022) 10.192 5.859 ( 8.344 4.346 2.449) 9.722 6.015 ( -10.421 8.506 1.420) 13.526 6.187 ( -0.217 3.855 -1.629) 4.190 6.825 ( -0.360 9.351 0.381) 9.366 7.225 ( -7.675 9.226 0.306) 12.005 7.690 ( 9.647 33.623 -1.347) 35.006 8.796 ( -2.374 3.911 3.187) 5.576 9.022 ( 0.573 4.826 -3.903) 6.233 10.165 ( 4.365 8.766 -0.962) 9.840 10.744 ( 8.660 -7.601 1.580) 11.631 11.029 ( -15.004 13.148 0.123) 19.950 11.562 ( 7.170 12.707 -0.012) 14.591 12.485 ( 3.747 -21.634 -2.184) 22.065 13.263 ( 1.203 -2.422 -0.189) 2.711 13.610 ( -5.896 -7.553 -1.838) 9.756 15.105 ( 18.883 18.917 -12.757) 29.616 16.218 ( -0.606 -18.699 9.990) 21.209 16.931 ( 11.171 -0.463 0.459) 11.190 17.906 ( 22.647 12.521 8.677) 27.294 18.639 ( -11.666 7.003 -11.756) 17.982 20.248 ( -12.650 -7.475 6.196) 15.946 21.648 ( -0.656 7.137 -2.679) 7.652 22.558 ( -9.758 -7.377 -0.654) 12.250 ======================= Grid point 214 (69/267) ======================= q-point: (-0.21 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -8.887 19.279 -5.430) 21.913 1.824 ( -14.451 21.894 11.318) 28.571 2.628 ( 2.124 6.816 -11.208) 13.289 2.866 ( 0.388 10.813 -8.175) 13.561 3.076 ( -8.328 28.101 5.421) 29.806 3.511 ( 6.120 3.260 -0.663) 6.966 3.941 ( 6.544 4.418 6.686) 10.346 4.001 ( -3.174 -0.722 3.917) 5.092 4.636 ( -9.293 14.084 -1.831) 16.973 4.678 ( 3.188 17.273 -2.197) 17.701 4.964 ( -4.943 19.220 -0.586) 19.854 5.215 ( -0.795 5.022 4.534) 6.812 5.597 ( -4.156 3.661 -0.462) 5.558 5.686 ( 9.174 19.099 -4.393) 21.638 5.902 ( -2.942 -0.249 4.554) 5.428 6.138 ( -2.156 1.778 -3.501) 4.480 6.381 ( -0.331 27.538 1.640) 27.589 7.105 ( -7.916 20.590 -0.326) 22.062 7.326 ( 16.036 -0.357 -0.541) 16.049 8.786 ( -1.043 -2.134 2.740) 3.627 8.955 ( 1.855 3.090 -3.343) 4.916 9.894 ( -0.797 18.401 -0.267) 18.421 10.520 ( -13.770 18.612 0.676) 23.161 11.133 ( 11.252 -13.662 0.950) 17.725 11.514 ( 6.409 -1.253 0.072) 6.531 12.883 ( 2.685 -19.268 -4.685) 20.011 13.351 ( 1.910 -6.108 -1.071) 6.489 13.682 ( -7.478 -6.032 -1.115) 9.672 14.868 ( 34.945 25.761 -20.314) 47.931 16.532 ( -2.178 -12.966 8.843) 15.845 17.042 ( 11.174 -3.287 -0.672) 11.666 17.787 ( 24.362 24.980 13.186) 37.301 18.433 ( -11.102 -0.076 -18.163) 21.288 20.337 ( -21.627 -14.154 8.333) 27.156 21.505 ( -1.688 6.536 -2.513) 7.203 22.585 ( -9.371 -3.529 -0.840) 10.049 ======================= Grid point 215 (70/267) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -6.219 22.854 -0.335) 23.687 1.356 ( -19.299 19.128 19.494) 33.442 2.226 ( -10.427 43.512 1.764) 44.778 2.520 ( 1.107 5.057 -14.523) 15.418 2.751 ( -2.143 11.787 1.023) 12.024 3.512 ( 8.707 5.309 -2.642) 10.534 3.824 ( 1.908 43.451 2.548) 43.567 3.984 ( -1.499 8.524 2.200) 8.930 4.012 ( -4.988 4.276 3.126) 7.276 4.445 ( -5.064 11.634 -1.281) 12.753 4.582 ( 8.962 17.721 -9.438) 21.987 5.197 ( -3.077 0.412 2.776) 4.164 5.385 ( -10.260 6.888 -6.409) 13.921 5.594 ( 3.698 0.515 2.600) 4.550 5.883 ( -2.461 1.686 0.611) 3.045 6.021 ( 6.018 14.734 8.814) 18.193 6.052 ( 2.449 8.105 -2.712) 8.891 6.717 ( -1.151 13.438 -0.219) 13.489 7.537 ( 11.339 -7.927 -1.089) 13.878 8.829 ( 2.614 -0.515 1.497) 3.056 8.917 ( 1.062 1.283 -1.981) 2.588 9.588 ( 4.860 15.540 -0.291) 16.285 10.101 ( -18.568 13.538 0.999) 23.001 11.463 ( 10.588 -12.431 1.107) 16.367 11.638 ( 5.605 -6.058 -0.128) 8.254 13.179 ( 2.091 -12.157 -11.736) 17.027 13.504 ( 2.760 -8.849 -1.896) 9.461 13.714 ( -7.206 -3.772 -0.943) 8.188 14.517 ( 50.195 44.273 -37.773) 76.853 16.660 ( 1.151 -0.141 5.506) 5.627 17.185 ( 7.132 0.027 -3.469) 7.931 17.397 ( 4.199 25.544 5.535) 26.472 18.435 ( 5.191 -4.748 -14.577) 16.186 20.366 ( -62.855 -15.679 -17.783) 67.178 21.487 ( 19.563 -2.958 23.763) 30.921 22.557 ( -6.668 -0.539 0.735) 6.730 ======================= Grid point 216 (71/267) ======================= q-point: (-0.07 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( -1.297 17.114 14.792) 22.658 0.935 ( -14.518 20.388 22.851) 33.891 1.335 ( -20.459 37.949 18.956) 47.096 2.419 ( 0.956 11.516 -10.403) 15.549 2.490 ( 0.593 15.824 -7.485) 17.515 2.691 ( -0.406 47.678 -1.154) 47.694 3.472 ( 5.144 19.539 -15.556) 25.499 3.878 ( 2.629 9.186 -5.824) 11.190 4.059 ( 4.271 -2.777 8.711) 10.091 4.231 ( 3.022 8.853 -2.052) 9.577 4.339 ( 6.471 11.102 -15.216) 19.916 5.142 ( -2.209 2.415 -0.548) 3.319 5.210 ( -13.924 2.034 -7.063) 15.745 5.731 ( -4.955 -17.858 13.428) 22.887 5.829 ( 9.065 5.351 5.784) 12.011 5.857 ( 1.134 6.368 5.060) 8.213 5.988 ( 3.416 2.513 4.277) 6.023 6.595 ( -1.337 1.468 0.061) 1.986 7.691 ( 25.736 9.567 -6.153) 28.137 8.830 ( 8.105 4.321 -0.527) 9.200 8.931 ( -3.559 -3.716 0.621) 5.183 9.407 ( 7.796 9.577 -0.859) 12.379 9.794 ( -21.550 3.430 2.007) 21.913 11.715 ( 8.689 -6.747 0.925) 11.040 11.773 ( 3.347 -4.335 -0.535) 5.503 12.863 ( 14.322 99.355 -100.551) 142.081 13.599 ( 6.598 11.252 -7.299) 14.947 13.721 ( -2.431 -6.975 -0.944) 7.447 13.826 ( 8.756 16.949 -8.986) 21.088 16.601 ( -0.147 8.373 5.148) 9.830 16.782 ( -2.816 22.361 -5.472) 23.193 17.381 ( 0.811 -4.615 0.584) 4.722 18.552 ( 13.714 -2.577 -11.620) 18.159 19.658 (-122.480 8.630 -44.477) 130.591 22.207 ( 51.490 -30.869 38.257) 71.188 22.564 ( -3.356 -9.555 12.670) 16.220 ======================= Grid point 218 (72/267) ======================= q-point: ( 0.07 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 14.522 0.000 16.286) 21.820 0.767 ( 6.495 0.000 25.765) 26.571 1.218 ( 25.392 0.000 21.327) 33.160 1.865 ( -4.111 -0.000 -0.493) 4.141 2.384 ( 1.693 0.000 -6.988) 7.190 2.556 ( 13.336 0.000 -7.848) 15.474 2.649 ( 1.483 0.000 1.192) 1.902 3.800 ( -2.499 -0.000 -0.287) 2.515 4.061 ( -4.542 -0.000 -24.790) 25.203 4.177 ( 1.549 0.000 0.570) 1.651 4.525 ( 12.571 0.000 3.990) 13.189 4.832 ( -13.688 -0.000 -9.885) 16.884 5.118 ( 0.126 0.000 0.388) 0.407 5.657 ( -16.331 -0.000 11.877) 20.193 5.902 ( 3.182 0.000 0.262) 3.192 6.038 ( -4.382 -0.000 13.465) 14.160 6.516 ( -4.229 -0.000 -1.528) 4.496 6.695 ( 1.688 0.000 -0.059) 1.689 6.900 ( -31.624 -0.000 12.191) 33.892 8.802 ( 6.293 0.000 -4.494) 7.733 8.956 ( 1.529 0.000 0.449) 1.594 9.385 ( 5.267 0.000 -1.302) 5.425 9.829 ( -2.695 -0.000 -0.058) 2.696 10.406 ( 75.853 0.000 -25.822) 80.128 11.786 ( -6.320 -0.000 -0.316) 6.328 11.940 ( 11.470 0.000 -11.327) 16.121 13.557 ( -0.659 -0.000 -0.331) 0.737 13.807 ( 3.990 0.000 -0.547) 4.027 13.813 ( 0.345 0.000 0.133) 0.370 16.581 ( -0.039 -0.000 -0.240) 0.243 17.135 ( 35.214 0.000 -7.246) 35.952 17.429 ( 0.059 0.000 0.146) 0.158 17.481 ( -29.150 -0.000 0.571) 29.156 19.121 ( 35.578 0.000 7.425) 36.345 22.348 ( -18.509 -0.000 -0.807) 18.527 23.608 ( 4.831 0.000 -13.834) 14.653 ======================= Grid point 219 (73/267) ======================= q-point: ( 0.14 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 7.813 -8.725 14.514) 18.650 1.040 ( 14.283 -12.706 11.456) 22.286 1.716 ( 23.489 -29.020 3.011) 37.456 2.355 ( -1.147 -23.422 -3.860) 23.765 2.569 ( 3.120 -24.891 -2.373) 25.197 2.766 ( 8.675 -23.219 1.215) 24.817 3.220 ( -3.133 -36.741 -6.931) 37.520 3.787 ( -4.189 -2.831 0.503) 5.080 4.063 ( -5.071 -4.244 -5.022) 8.303 4.209 ( -0.597 -8.823 -6.952) 11.249 4.590 ( 8.577 2.262 -2.179) 9.134 4.793 ( -3.958 -8.148 -6.882) 11.376 5.116 ( -0.375 0.157 1.290) 1.352 5.509 ( -10.457 3.917 7.780) 13.610 5.908 ( 2.835 2.010 0.890) 3.587 5.995 ( -6.609 -0.743 8.223) 10.575 6.370 ( 10.472 -1.459 4.914) 11.660 6.469 ( -5.239 0.525 -2.205) 5.709 7.464 ( -24.952 -22.495 0.553) 33.600 8.734 ( 3.324 4.292 -1.774) 5.711 8.959 ( 1.340 0.635 0.338) 1.521 9.379 ( 3.743 -3.711 -0.996) 5.364 10.046 ( 10.685 -10.921 1.227) 15.328 11.309 ( -10.701 -21.394 -8.281) 25.314 11.677 ( -10.494 4.157 -0.161) 11.289 12.455 ( 9.643 -58.782 -43.191) 73.578 13.487 ( -6.882 4.389 0.083) 8.163 13.730 ( -0.497 5.284 -0.440) 5.325 13.859 ( 8.017 0.235 -1.031) 8.086 16.571 ( -0.137 0.062 0.675) 0.692 17.107 ( -27.331 -3.672 18.987) 33.481 17.325 ( -3.756 4.717 -0.353) 6.040 17.919 ( 30.129 -26.930 -35.658) 53.894 19.451 ( 41.578 -2.526 11.935) 43.330 22.136 ( -25.585 5.325 -0.386) 26.137 23.311 ( 11.071 24.586 -5.102) 27.442 ======================= Grid point 220 (74/267) ======================= q-point: ( 0.21 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 9.805 -21.887 -2.016) 24.067 1.426 ( 15.946 -13.821 8.749) 22.844 2.388 ( 8.905 -27.110 -8.712) 29.835 2.563 ( 4.074 -8.376 -9.040) 12.980 2.928 ( 6.747 -14.657 11.988) 20.101 3.288 ( -5.170 -14.321 -1.101) 15.266 3.802 ( -0.690 -12.128 4.230) 12.863 4.014 ( -1.842 -29.640 -2.494) 29.802 4.102 ( 4.699 -11.592 3.815) 13.077 4.519 ( -4.569 -26.529 -2.750) 27.059 4.617 ( 3.463 -4.354 -4.554) 7.190 5.015 ( 8.618 -13.417 -7.060) 17.439 5.124 ( -1.479 -1.591 3.890) 4.455 5.463 ( -5.751 -4.829 -0.193) 7.511 5.914 ( 1.859 -1.158 1.394) 2.596 6.043 ( -0.597 -6.257 2.864) 6.907 6.411 ( -4.841 -0.150 1.804) 5.169 6.646 ( 0.024 -20.258 -0.811) 20.275 7.465 ( -10.576 3.060 1.323) 11.089 8.722 ( 1.471 0.534 -0.731) 1.727 8.964 ( 1.585 -0.333 -0.382) 1.664 9.577 ( 3.838 -14.591 -0.983) 15.119 10.354 ( 14.465 -12.906 1.065) 19.415 11.218 ( -16.559 8.503 -0.118) 18.615 11.527 ( -9.482 3.615 0.529) 10.162 13.055 ( 0.187 0.413 -15.256) 15.263 13.379 ( -11.998 -1.118 -4.952) 13.028 13.811 ( -1.909 -14.550 -5.302) 15.603 13.930 ( -10.099 -17.004 -9.154) 21.793 16.551 ( -1.791 3.285 2.962) 4.773 17.031 ( -13.364 1.776 10.613) 17.158 17.246 ( -16.609 -6.717 5.151) 18.642 18.454 ( 13.686 -20.727 -27.442) 37.013 19.831 ( 37.636 -2.743 12.456) 39.738 21.841 ( -21.065 5.581 -1.028) 21.816 23.028 ( 14.905 16.563 -2.709) 22.447 ======================= Grid point 221 (75/267) ======================= q-point: ( 0.29 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 10.151 -16.772 -8.637) 21.423 1.832 ( 13.287 -20.472 4.733) 24.861 2.715 ( 0.370 -9.300 -4.311) 10.258 2.755 ( 5.496 -11.900 -10.249) 16.639 3.286 ( -0.020 -16.465 4.699) 17.122 3.386 ( -0.848 -2.420 1.787) 3.125 3.935 ( -1.464 -5.899 8.745) 10.650 4.115 ( 4.256 -0.484 3.438) 5.493 4.577 ( -4.105 -20.224 -3.672) 20.961 4.724 ( -1.044 -8.080 -1.674) 8.318 5.060 ( 9.520 -17.593 0.508) 20.010 5.182 ( -4.511 -7.568 1.783) 8.989 5.320 ( 4.662 -15.544 -1.378) 16.287 5.609 ( -5.788 -14.441 -3.318) 15.908 5.989 ( 7.265 -3.705 4.059) 9.109 6.219 ( 5.205 -4.627 -1.382) 7.100 6.512 ( 0.930 -19.072 1.282) 19.138 7.012 ( -21.110 -23.708 -1.091) 31.763 7.372 ( 8.886 0.157 0.812) 8.924 8.711 ( 1.623 0.918 0.707) 1.995 8.992 ( 1.696 -1.597 -1.692) 2.879 9.900 ( 2.409 -15.686 -1.223) 15.917 10.714 ( 9.714 -12.017 1.383) 15.514 10.923 ( -14.184 5.342 -0.197) 15.158 11.439 ( -4.422 -0.778 0.639) 4.535 12.801 ( -3.314 18.158 -3.429) 18.774 13.277 ( -5.332 3.012 -2.205) 6.509 13.835 ( 10.262 7.383 -0.923) 12.675 14.380 ( -26.505 -38.811 -14.575) 49.207 16.420 ( -2.660 10.273 8.093) 13.346 16.876 ( -8.099 6.459 1.872) 10.527 17.356 ( -18.552 -16.040 6.361) 25.336 18.768 ( 4.381 -12.603 -15.901) 20.757 20.113 ( 26.661 0.724 9.820) 28.421 21.675 ( -11.531 -1.144 -1.950) 11.751 22.869 ( 12.261 12.401 -2.150) 17.572 ======================= Grid point 222 (76/267) ======================= q-point: ( 0.36 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 7.040 -9.025 -4.449) 12.281 2.277 ( 7.850 -16.896 -4.827) 19.245 2.830 ( 0.006 -4.690 -1.981) 5.092 3.020 ( 8.926 -13.286 -8.647) 18.193 3.393 ( -4.918 -2.568 5.987) 8.162 3.514 ( -0.009 -8.181 -3.251) 8.803 4.050 ( -1.856 -4.374 7.707) 9.054 4.163 ( 6.585 -1.088 3.251) 7.424 4.797 ( -1.461 -3.337 -0.248) 3.651 4.873 ( -5.260 -14.912 1.773) 15.912 5.278 ( 5.647 -3.973 -2.525) 7.352 5.356 ( 2.479 -13.012 -0.970) 13.282 5.587 ( -7.426 -13.517 -0.021) 15.423 5.751 ( -4.037 -4.468 0.262) 6.027 6.217 ( 3.541 -4.023 0.694) 5.404 6.261 ( 13.367 -7.150 3.356) 15.526 6.779 ( -7.812 -2.303 0.232) 8.148 7.333 ( -0.933 -26.712 -0.239) 26.729 7.669 ( 5.324 -21.693 -1.047) 22.361 8.779 ( 3.925 -7.683 2.006) 8.858 9.043 ( 1.346 -3.631 -2.810) 4.785 10.051 ( -6.184 -0.675 -1.936) 6.515 10.597 ( -10.862 6.310 0.868) 12.591 11.179 ( 0.379 -19.611 0.436) 19.620 11.551 ( 6.579 -11.189 0.457) 12.988 12.401 ( -4.986 20.274 -1.404) 20.925 13.209 ( -3.985 0.265 -0.557) 4.033 13.743 ( 7.999 9.510 -1.468) 12.513 14.822 ( -14.544 -29.193 -10.022) 34.121 16.199 ( -2.279 13.461 10.457) 17.197 16.724 ( -9.233 2.977 -0.812) 9.735 17.536 ( -13.781 -14.950 3.561) 20.642 18.934 ( 0.341 -7.287 -8.547) 11.237 20.247 ( 17.599 3.727 5.751) 18.886 21.687 ( -4.996 -6.241 -1.217) 8.087 22.727 ( 9.522 11.815 -1.366) 15.236 ======================= Grid point 223 (77/267) ======================= q-point: ( 0.43 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 3.059 -4.954 -4.717) 7.494 2.520 ( 1.667 -8.101 -6.277) 10.383 2.898 ( 1.803 -2.873 -1.696) 3.792 3.178 ( 2.783 0.940 -2.383) 3.782 3.516 ( 3.238 -8.640 -0.623) 9.248 3.672 ( 2.193 -12.664 -2.818) 13.158 4.065 ( 1.400 2.778 4.261) 5.276 4.276 ( 4.150 -4.264 3.224) 6.767 4.807 ( -5.240 -1.177 4.708) 7.142 5.104 ( -2.617 -13.023 0.999) 13.321 5.358 ( 2.113 -2.966 -4.418) 5.725 5.580 ( 0.058 -6.878 -2.077) 7.185 5.728 ( -3.487 -7.962 0.014) 8.692 5.787 ( -1.080 -3.691 3.709) 5.343 6.192 ( -1.462 1.795 1.900) 2.995 6.599 ( 14.906 -8.891 2.564) 17.544 6.708 ( -10.640 -1.083 -0.281) 10.699 7.662 ( 7.396 -7.273 0.990) 10.420 8.168 ( 0.707 -26.796 -1.013) 26.824 9.071 ( 5.883 -18.497 2.230) 19.538 9.151 ( 1.297 -8.643 -3.043) 9.254 9.896 ( -9.269 6.507 -2.503) 11.599 10.434 ( -6.390 6.850 0.333) 9.374 11.343 ( -10.028 3.475 -0.293) 10.617 11.884 ( 7.508 -16.207 0.377) 17.866 12.124 ( -0.064 2.081 0.088) 2.084 13.206 ( -3.562 -2.879 0.436) 4.601 13.615 ( 6.238 9.454 -2.022) 11.506 15.166 ( -4.477 -17.676 -6.270) 19.282 15.976 ( -1.639 11.021 7.570) 13.471 16.641 ( -9.088 -1.543 0.508) 9.232 17.703 ( -8.477 -11.710 1.206) 14.506 19.014 ( -1.450 -3.743 -4.362) 5.928 20.279 ( 11.269 5.011 2.643) 12.613 21.792 ( -2.200 -7.749 -0.498) 8.070 22.570 ( 7.225 11.920 -0.584) 13.951 ======================= Grid point 224 (78/267) ======================= q-point: ( 0.50 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 0.402 -2.118 -4.689) 5.160 2.599 ( -1.646 -3.082 -6.848) 7.688 2.956 ( 3.012 -1.308 -1.829) 3.759 3.133 ( 1.256 3.204 0.687) 3.510 3.641 ( 1.090 -5.021 -1.114) 5.257 3.954 ( 3.699 -9.807 -3.514) 11.055 4.023 ( 7.400 2.739 1.674) 8.067 4.350 ( 2.720 -0.036 1.018) 2.904 4.799 ( -5.619 -1.091 6.022) 8.308 5.315 ( -1.379 -11.484 2.347) 11.802 5.393 ( 0.053 -0.751 -4.203) 4.270 5.595 ( -3.905 0.185 0.552) 3.948 5.809 ( 0.169 -1.988 -0.192) 2.004 5.907 ( 4.245 -4.939 1.323) 6.645 6.159 ( -2.340 0.773 2.678) 3.640 6.672 ( -4.627 -1.948 0.719) 5.071 6.778 ( 5.091 -1.678 0.742) 5.412 7.790 ( 1.779 -2.413 3.105) 4.316 8.522 ( 2.360 -11.025 -1.586) 11.386 9.355 ( 1.386 -10.600 -0.620) 10.708 9.483 ( 2.691 -21.412 0.011) 21.580 9.817 ( 0.860 -4.840 -1.977) 5.298 10.215 ( -3.862 13.337 -0.751) 13.905 10.985 ( -9.248 20.009 -0.825) 22.058 12.107 ( -12.769 -10.002 0.506) 16.228 12.304 ( 14.218 -8.465 0.488) 16.554 13.249 ( -4.116 -4.044 1.044) 5.863 13.498 ( 4.879 6.926 -2.542) 8.845 15.364 ( -0.394 -7.631 -1.398) 7.768 15.815 ( -1.295 6.900 1.730) 7.231 16.652 ( -5.870 -5.266 2.375) 8.235 17.841 ( -3.448 -8.145 -0.170) 8.846 19.035 ( -2.358 -0.971 -2.139) 3.329 20.254 ( 5.844 4.890 0.981) 7.683 21.916 ( -1.304 -7.070 -0.546) 7.210 22.402 ( 4.517 11.004 0.191) 11.897 ======================= Grid point 225 (79/267) ======================= q-point: (-0.43 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( -1.380 0.435 -4.904) 5.113 2.612 ( -0.863 -1.639 -6.193) 6.464 2.936 ( -0.120 4.440 0.112) 4.443 3.135 ( 3.812 -1.320 -2.467) 4.729 3.722 ( -0.048 -2.772 1.035) 2.959 3.917 ( 1.079 5.366 1.757) 5.749 4.180 ( 11.434 -2.691 -6.571) 13.459 4.317 ( 0.748 4.945 1.736) 5.294 4.797 ( -4.297 -1.559 6.050) 7.582 5.356 ( -1.073 3.720 -2.764) 4.757 5.495 ( -1.499 -6.415 2.973) 7.227 5.564 ( -3.039 -0.854 0.991) 3.308 5.817 ( -0.532 0.460 -1.637) 1.782 6.000 ( 8.479 -0.731 0.929) 8.560 6.137 ( -2.492 0.505 2.050) 3.266 6.664 ( -2.322 2.237 1.135) 3.418 6.799 ( 0.588 -0.012 0.653) 0.879 7.756 ( -8.521 3.929 4.028) 10.211 8.659 ( 7.476 -1.363 -2.413) 7.974 9.459 ( 1.592 -0.000 0.046) 1.592 9.797 ( 1.860 17.503 -0.003) 17.602 9.907 ( 1.642 -18.473 -2.879) 18.768 9.995 ( -3.148 1.660 0.730) 3.633 10.789 ( 2.311 -9.271 -1.587) 9.686 12.077 ( -16.027 2.146 0.692) 16.185 12.478 ( 11.402 0.909 0.247) 11.441 13.273 ( -5.174 -1.839 1.048) 5.590 13.432 ( 3.639 3.226 -2.602) 5.515 15.473 ( -0.149 -5.336 2.146) 5.754 15.695 ( -0.859 5.506 -1.907) 5.890 16.741 ( -0.707 -6.036 2.739) 6.666 17.949 ( 1.234 -4.796 -0.564) 4.984 19.005 ( -3.038 1.752 -1.186) 3.702 20.200 ( 0.673 3.573 0.263) 3.645 22.006 ( 0.676 -2.059 -1.324) 2.539 22.259 ( -0.616 5.040 1.138) 5.204 ======================= Grid point 226 (80/267) ======================= q-point: (-0.36 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( -2.834 4.107 -5.218) 7.220 2.617 ( 1.239 0.974 -4.982) 5.225 2.834 ( -2.597 4.782 1.931) 5.774 3.177 ( 4.461 0.094 -7.046) 8.340 3.687 ( -1.270 6.954 3.299) 7.801 3.877 ( 0.403 -0.525 1.081) 1.268 4.179 ( 9.653 8.538 -5.776) 14.123 4.248 ( 1.679 4.348 3.060) 5.575 4.825 ( -2.784 -2.771 5.804) 7.008 5.228 ( -2.452 8.278 -1.856) 8.831 5.441 ( -5.223 5.823 1.609) 7.986 5.630 ( 0.005 -2.047 -1.251) 2.399 5.798 ( -1.617 -0.312 -0.457) 1.709 6.061 ( 2.603 1.551 5.602) 6.369 6.132 ( 8.343 0.237 -3.476) 9.041 6.519 ( -6.637 9.964 1.876) 12.118 6.820 ( 1.083 -0.921 0.624) 1.553 7.593 ( -11.434 5.776 3.446) 13.265 8.636 ( 8.756 11.668 -1.823) 14.701 9.290 ( -1.427 19.841 -2.412) 20.038 9.384 ( -1.655 17.637 0.821) 17.733 10.044 ( 6.547 -7.735 -0.427) 10.142 10.280 ( 2.644 -18.093 -0.411) 18.289 11.191 ( 6.905 -21.637 -1.110) 22.739 11.816 ( -17.430 10.459 0.509) 20.334 12.428 ( 8.151 12.195 0.075) 14.669 13.253 ( -3.918 0.127 0.763) 3.993 13.419 ( 0.789 -0.731 -2.443) 2.670 15.507 ( -0.518 3.837 -6.153) 7.270 15.683 ( 1.644 -7.037 6.530) 9.740 16.859 ( 3.879 -4.777 2.186) 6.531 18.037 ( 5.998 -2.329 -0.054) 6.435 18.915 ( -3.986 5.359 -1.138) 6.775 20.142 ( -3.980 1.392 0.099) 4.218 21.949 ( 2.493 8.219 -1.100) 8.659 22.263 ( -5.796 -6.600 0.763) 8.816 ======================= Grid point 227 (81/267) ======================= q-point: (-0.29 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( -3.332 9.207 -4.747) 10.881 2.501 ( -1.670 11.797 -1.375) 11.993 2.776 ( -1.235 0.865 1.161) 1.903 3.131 ( 3.746 6.356 -10.563) 12.885 3.548 ( -0.618 6.490 3.202) 7.263 3.889 ( 1.615 1.947 0.594) 2.598 4.085 ( 8.148 8.450 -4.963) 12.745 4.128 ( -1.169 8.465 7.006) 11.050 4.870 ( -2.604 -2.336 4.755) 5.904 5.025 ( -4.072 10.185 -1.385) 11.056 5.259 ( -5.048 9.447 0.711) 10.735 5.599 ( 0.814 4.320 -3.990) 5.937 5.804 ( -2.239 -0.313 2.146) 3.117 6.029 ( 2.059 3.855 3.978) 5.910 6.097 ( -2.860 11.346 -1.649) 11.816 6.331 ( 6.949 5.766 -0.184) 9.032 6.840 ( -1.739 -1.575 0.736) 2.459 7.377 ( -10.734 11.210 2.017) 15.651 8.331 ( 9.120 27.217 -0.619) 28.711 8.937 ( -3.364 13.897 1.603) 14.388 9.141 ( 1.081 8.826 -4.073) 9.781 10.268 ( 12.317 -5.190 -0.930) 13.398 10.597 ( 4.319 -14.513 1.215) 15.191 11.172 ( -17.381 17.810 0.744) 24.897 11.792 ( 4.184 -5.817 -1.139) 7.255 12.250 ( 3.523 3.643 -0.800) 5.131 13.235 ( -1.707 -0.798 0.269) 1.904 13.460 ( -2.024 -4.541 -2.081) 5.390 15.396 ( 6.630 7.338 -10.326) 14.298 15.921 ( -0.295 -15.118 9.661) 17.944 16.977 ( 7.324 -3.263 1.361) 8.133 18.131 ( 10.950 -1.336 1.079) 11.084 18.733 ( -5.625 10.884 -1.729) 12.373 20.095 ( -8.373 -1.160 0.061) 8.453 21.794 ( 0.654 9.191 -0.423) 9.224 22.359 ( -6.173 -7.940 0.030) 10.057 ======================= Grid point 228 (82/267) ======================= q-point: (-0.21 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( -2.265 15.287 -3.367) 15.816 2.170 ( -6.282 21.254 4.851) 22.688 2.730 ( 0.714 4.566 -3.824) 5.998 3.000 ( 2.788 7.113 -8.666) 11.553 3.435 ( -0.298 9.621 -0.767) 9.657 3.721 ( 4.250 17.590 0.233) 18.097 3.978 ( -3.639 1.124 3.731) 5.332 4.064 ( 2.898 3.323 4.701) 6.445 4.773 ( -4.766 9.853 -0.851) 10.979 4.892 ( -1.834 4.300 0.453) 4.696 5.080 ( -2.826 5.702 0.581) 6.391 5.458 ( 0.128 13.434 -0.611) 13.448 5.665 ( -5.957 11.436 -3.255) 13.299 5.883 ( -5.372 1.358 4.422) 7.089 6.026 ( 5.401 2.673 0.986) 6.106 6.256 ( 11.390 13.115 -2.080) 17.494 6.807 ( -0.915 11.766 0.171) 11.803 7.066 ( -12.943 5.966 1.895) 14.378 7.857 ( 10.595 30.579 -1.058) 32.379 8.772 ( -2.830 2.601 2.959) 4.850 9.035 ( 3.373 4.501 -4.595) 7.263 10.241 ( 6.658 17.399 -0.143) 18.630 10.730 ( -13.457 13.104 0.653) 18.795 10.922 ( 3.217 -15.795 1.271) 16.170 11.658 ( 4.955 13.344 -0.084) 14.235 12.513 ( 1.991 -21.547 -3.659) 21.946 13.267 ( -0.221 -3.598 -0.305) 3.617 13.530 ( -3.554 -5.557 -1.427) 6.749 15.307 ( 16.105 8.678 -15.517) 23.988 16.237 ( -3.021 -17.560 10.937) 20.907 17.091 ( 9.442 -2.275 0.393) 9.720 18.258 ( 13.498 -2.549 0.470) 13.745 18.413 ( -6.440 19.401 -1.412) 20.491 20.050 ( -15.704 -2.923 -1.920) 16.088 21.641 ( 1.547 7.873 2.149) 8.306 22.445 ( -5.438 -5.983 -0.338) 8.092 ======================= Grid point 229 (83/267) ======================= q-point: (-0.14 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 0.799 20.687 -0.465) 20.708 1.692 ( -10.352 25.467 11.979) 29.987 2.616 ( 2.817 6.705 -10.249) 12.567 2.827 ( 0.130 17.376 -9.557) 19.831 3.035 ( -1.089 26.829 6.808) 27.701 3.570 ( 2.478 2.735 -2.095) 4.244 3.964 ( -3.177 -0.884 4.679) 5.724 4.040 ( 1.317 2.409 4.517) 5.286 4.530 ( -3.138 16.226 -0.483) 16.534 4.708 ( 2.938 17.787 -2.116) 18.152 4.893 ( -4.014 15.769 -3.821) 16.714 5.205 ( -2.063 5.749 2.622) 6.647 5.460 ( -7.899 7.565 -2.967) 11.332 5.859 ( 6.758 9.639 1.053) 11.819 5.888 ( 1.936 13.719 -0.880) 13.883 6.087 ( -3.052 2.874 -1.673) 4.514 6.448 ( 6.952 19.859 5.651) 21.787 6.961 ( -8.483 8.521 -0.525) 12.035 7.521 ( 8.470 7.741 -0.859) 11.507 8.776 ( -2.093 -3.197 2.098) 4.359 8.985 ( 3.412 3.130 -3.341) 5.710 9.918 ( 3.049 16.943 1.021) 17.245 10.337 ( -9.417 21.910 -0.218) 23.849 11.253 ( 3.825 -16.011 1.372) 16.518 11.582 ( 2.521 -1.557 -0.160) 2.968 12.887 ( 1.654 -18.434 -6.963) 19.775 13.362 ( 0.381 -6.904 -0.688) 6.949 13.596 ( -3.084 -4.607 -0.920) 5.620 15.217 ( 23.658 14.125 -25.802) 37.748 16.525 ( -4.897 -13.662 10.792) 18.086 17.202 ( 9.143 -2.583 -0.584) 9.519 17.906 ( -14.001 26.477 -8.269) 31.072 18.431 ( 20.075 -1.654 3.975) 20.531 19.886 ( -33.822 2.729 -12.723) 36.239 21.610 ( 11.835 -0.322 14.093) 18.406 22.490 ( -3.890 -2.828 -0.586) 4.845 ======================= Grid point 230 (84/267) ======================= q-point: (-0.07 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 5.259 21.688 6.665) 23.291 1.190 ( -13.639 22.442 19.752) 32.860 2.161 ( 1.455 45.843 1.477) 45.889 2.509 ( 5.348 5.358 -13.961) 15.882 2.745 ( 0.361 13.221 2.255) 13.417 3.552 ( -1.865 1.265 -6.257) 6.650 3.788 ( -2.802 52.099 -0.170) 52.174 3.991 ( -0.860 0.713 5.123) 5.243 4.028 ( 2.134 7.444 3.334) 8.431 4.418 ( 2.116 10.229 0.874) 10.482 4.623 ( 3.647 14.380 -13.298) 19.923 5.137 ( -4.562 2.544 -5.845) 7.839 5.224 ( -8.300 8.634 0.962) 12.015 5.612 ( -2.300 4.912 0.346) 5.435 5.869 ( -0.032 0.846 1.277) 1.532 6.008 ( -0.374 4.363 1.425) 4.605 6.262 ( 12.047 13.275 10.610) 20.831 6.673 ( -3.439 11.432 -2.338) 12.165 7.647 ( 3.525 -11.585 -1.062) 12.156 8.833 ( -3.323 -4.014 0.969) 5.301 8.948 ( 2.524 2.934 -1.802) 4.270 9.738 ( 5.078 7.172 1.948) 9.001 9.843 ( -5.646 23.924 -0.838) 24.595 11.539 ( -1.434 -13.350 0.834) 13.453 11.679 ( 0.008 -6.389 -0.274) 6.395 13.147 ( 2.026 -9.660 -15.451) 18.335 13.520 ( 0.154 -10.194 -0.600) 10.213 13.650 ( -0.035 -2.723 -1.719) 3.221 14.860 ( 15.208 41.126 -52.841) 68.664 16.670 ( -5.955 -2.777 8.375) 10.645 17.247 ( -13.706 24.361 -8.973) 29.357 17.321 ( 12.127 1.365 -3.424) 12.675 18.606 ( 14.602 -0.846 2.079) 14.774 19.285 ( -50.373 24.037 -24.695) 61.034 22.011 ( 23.696 -25.328 31.428) 46.805 22.496 ( 0.184 -0.239 -1.070) 1.112 ======================= Grid point 233 (85/267) ======================= q-point: ( 0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 10.615 0.000 8.074) 13.337 1.014 ( 16.808 0.000 10.840) 20.001 1.720 ( 32.255 0.000 5.098) 32.656 1.788 ( -6.059 -0.000 0.167) 6.061 2.388 ( 3.000 0.000 -6.799) 7.432 2.686 ( 2.741 0.000 0.909) 2.888 2.755 ( 14.232 0.000 3.311) 14.612 3.747 ( -4.402 -0.000 -0.257) 4.409 3.874 ( -7.576 -0.000 -15.486) 17.240 4.207 ( 2.123 0.000 0.529) 2.188 4.565 ( -12.677 -0.000 -8.829) 15.449 4.781 ( 17.530 0.000 1.814) 17.624 5.122 ( 0.306 0.000 0.346) 0.461 5.485 ( -12.566 -0.000 9.509) 15.759 5.912 ( -15.834 -0.000 8.910) 18.168 5.955 ( 1.150 0.000 0.334) 1.198 6.445 ( -4.170 -0.000 0.621) 4.216 6.730 ( 3.053 0.000 -0.066) 3.054 6.758 ( 1.659 0.000 4.793) 5.072 8.874 ( 4.648 0.000 -3.528) 5.835 8.984 ( 3.379 0.000 0.579) 3.428 9.468 ( 6.284 0.000 -1.522) 6.466 9.772 ( -4.905 -0.000 -0.037) 4.905 11.036 ( 24.832 0.000 -8.340) 26.195 11.616 ( -16.630 -0.000 -0.144) 16.630 12.082 ( 16.996 0.000 -18.389) 25.040 13.509 ( -5.300 -0.000 -0.896) 5.375 13.820 ( 0.591 0.000 0.112) 0.602 13.913 ( 10.090 0.000 -0.741) 10.117 16.580 ( -0.057 -0.000 -0.225) 0.232 16.751 ( -45.406 -0.000 19.490) 49.412 17.431 ( 0.086 0.000 0.141) 0.165 17.875 ( 43.008 0.000 -37.280) 56.917 19.780 ( 43.687 0.000 17.326) 46.997 21.975 ( -29.061 -0.000 -2.530) 29.171 23.546 ( -1.616 -0.000 -14.445) 14.536 ======================= Grid point 234 (86/267) ======================= q-point: ( 0.21 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 12.666 -6.554 -3.760) 14.748 1.333 ( 17.617 -14.229 10.035) 24.769 2.031 ( 18.546 -18.426 -5.572) 26.731 2.329 ( -0.359 -25.753 -0.704) 25.765 2.585 ( 1.406 -27.510 -2.389) 27.649 2.936 ( 10.010 -11.527 8.193) 17.326 3.211 ( 3.682 -40.979 -3.039) 41.256 3.721 ( -5.329 -2.706 1.244) 6.105 3.924 ( -8.315 -14.257 -5.883) 17.522 4.219 ( 2.269 -0.737 0.148) 2.390 4.500 ( -9.657 -4.483 -6.678) 12.568 4.952 ( 18.402 -3.859 -0.783) 18.818 5.121 ( 0.282 0.260 1.467) 1.516 5.409 ( -5.812 1.069 4.979) 7.728 5.839 ( -14.626 -4.684 2.609) 15.578 5.967 ( 2.296 -0.463 1.763) 2.932 6.402 ( -2.670 1.787 -0.417) 3.240 6.521 ( 8.240 3.187 2.500) 9.182 7.229 ( -7.796 -19.877 0.995) 21.374 8.802 ( 4.720 6.036 -1.394) 7.788 8.998 ( 4.601 1.423 0.259) 4.823 9.461 ( 6.955 -2.484 -1.317) 7.502 10.101 ( -1.832 -24.326 -0.248) 24.396 11.186 ( -6.395 -0.161 -0.954) 6.467 11.468 ( -16.845 0.565 0.467) 16.861 12.441 ( 8.273 -31.102 -22.891) 39.494 13.379 ( -7.558 8.645 -0.263) 11.486 13.725 ( 0.151 7.375 -0.189) 7.379 14.002 ( 10.855 0.540 -0.821) 10.900 16.566 ( -4.772 -2.406 2.268) 5.806 16.630 ( -36.979 -12.530 14.612) 41.689 17.330 ( 0.873 9.441 0.010) 9.481 18.216 ( 26.352 -13.558 -30.964) 42.860 20.129 ( 37.664 0.165 20.343) 42.807 21.731 ( -26.204 2.326 -3.762) 26.575 23.374 ( 4.160 12.766 -10.957) 17.330 ======================= Grid point 235 (87/267) ======================= q-point: ( 0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 14.778 -19.484 -11.586) 27.060 1.734 ( 19.597 -11.554 9.786) 24.765 2.454 ( 6.164 -17.491 -8.501) 20.401 2.579 ( 2.699 -10.282 -6.530) 12.476 3.021 ( -0.751 -15.213 6.537) 16.575 3.294 ( 4.623 -12.149 3.365) 13.427 3.795 ( -4.191 -9.276 7.340) 12.550 3.954 ( -3.943 -29.961 -5.180) 30.660 4.193 ( 5.309 -10.597 2.726) 12.162 4.423 ( -7.357 -28.946 -0.096) 29.866 4.595 ( -1.620 -16.793 -4.187) 17.382 5.092 ( -0.006 -2.219 -0.679) 2.321 5.197 ( 6.746 -5.445 2.565) 9.041 5.428 ( 4.956 -4.590 -1.729) 6.973 5.942 ( -0.551 -13.782 -1.946) 13.930 6.039 ( 0.919 -7.096 4.440) 8.421 6.357 ( -2.154 0.652 -0.082) 2.252 6.613 ( -2.259 -7.881 0.367) 8.206 7.384 ( -1.023 -4.315 0.553) 4.469 8.760 ( 2.435 2.504 0.291) 3.505 9.012 ( 5.458 1.081 -0.776) 5.617 9.655 ( 6.072 -12.558 -1.300) 14.009 10.523 ( 8.071 -19.195 0.412) 20.827 10.960 ( -18.172 10.560 -0.015) 21.017 11.375 ( -11.346 -1.417 0.951) 11.474 12.960 ( -5.013 -17.924 -16.008) 24.549 13.128 ( -14.957 4.751 -0.491) 15.701 13.676 ( -3.326 -8.440 -1.997) 9.289 14.027 ( 10.436 5.034 -0.798) 11.614 16.538 ( -3.170 3.684 3.343) 5.899 16.717 ( -30.895 -18.923 12.669) 38.381 17.147 ( -1.667 8.652 -0.221) 8.814 18.546 ( 12.582 -12.840 -22.644) 28.912 20.378 ( 25.558 3.039 18.269) 31.563 21.549 ( -15.463 -1.110 -3.984) 16.006 23.167 ( 7.849 12.417 -6.823) 16.197 ======================= Grid point 236 (88/267) ======================= q-point: ( 0.36 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 11.806 -16.288 -12.590) 23.732 2.090 ( 17.642 -11.360 5.818) 21.774 2.703 ( 1.373 -9.428 -3.494) 10.148 2.801 ( 5.183 -13.524 -6.782) 15.993 3.236 ( -6.290 -10.072 3.562) 12.398 3.444 ( 5.104 -2.988 0.232) 5.919 3.937 ( -3.914 -7.691 7.985) 11.757 4.190 ( 3.779 -3.566 1.401) 5.381 4.499 ( -4.995 -20.846 -0.270) 21.438 4.670 ( -4.600 -9.474 -1.730) 10.673 5.095 ( -3.955 -15.631 0.766) 16.141 5.197 ( -1.624 -18.478 -0.845) 18.568 5.299 ( 1.830 -3.797 1.868) 4.610 5.616 ( 5.093 -8.631 -3.188) 10.516 6.172 ( 13.703 -6.790 3.851) 15.771 6.281 ( 3.865 -1.519 1.285) 4.347 6.577 ( 4.103 -37.576 -1.102) 37.815 6.683 ( -16.328 -6.278 -0.549) 17.502 7.512 ( 9.281 -8.144 -0.720) 12.369 8.744 ( 1.596 0.016 2.151) 2.679 9.031 ( 4.726 0.453 -2.218) 5.240 9.916 ( -0.258 -10.721 -1.399) 10.816 10.635 ( -18.017 8.317 -0.010) 19.844 10.859 ( 1.589 -12.026 1.050) 12.176 11.435 ( 4.790 -10.089 0.238) 11.170 12.722 ( -6.011 19.104 -1.304) 20.070 13.141 ( -11.336 -4.223 -3.963) 12.729 13.950 ( 2.895 1.953 -3.005) 4.607 14.073 ( -5.721 -28.693 -4.483) 29.600 16.413 ( -3.770 8.740 7.823) 12.321 16.741 ( -12.957 2.317 3.457) 13.609 17.130 ( -13.024 -14.162 2.028) 19.347 18.766 ( 4.217 -9.418 -14.560) 17.846 20.481 ( 16.069 5.398 11.653) 20.571 21.533 ( -5.656 -5.767 -2.037) 8.331 22.998 ( 7.442 11.434 -3.770) 14.154 ======================= Grid point 237 (89/267) ======================= q-point: ( 0.43 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 6.753 -6.302 -7.230) 11.730 2.393 ( 9.929 -8.510 -1.691) 13.186 2.839 ( 2.615 -5.140 -1.851) 6.057 3.103 ( 5.517 -12.573 -5.084) 14.641 3.351 ( -1.926 -9.285 2.587) 9.829 3.529 ( 2.863 -4.176 -2.176) 5.511 4.053 ( -2.397 -5.424 6.501) 8.799 4.271 ( 6.526 -1.825 1.100) 6.865 4.732 ( -7.684 -4.784 2.664) 9.436 4.818 ( -2.591 -15.297 0.011) 15.515 5.236 ( -6.103 -8.268 -4.197) 11.101 5.401 ( -5.225 -10.356 1.559) 11.703 5.545 ( 9.064 -11.947 0.862) 15.021 5.731 ( -0.415 -3.303 0.485) 3.364 6.235 ( 0.831 2.508 1.283) 2.937 6.506 ( 9.141 -10.910 0.813) 14.256 6.629 ( -6.262 -1.636 1.566) 6.659 7.370 ( 7.229 -35.786 -0.657) 36.515 7.774 ( 7.945 -13.767 -0.877) 15.920 8.851 ( 3.986 -9.989 3.297) 11.250 9.066 ( 3.523 -2.060 -3.236) 5.209 9.922 ( -10.339 4.349 -1.804) 11.360 10.458 ( -8.290 1.677 0.199) 8.460 11.056 ( -13.872 -16.272 0.434) 21.387 11.753 ( 17.287 -11.851 0.276) 20.961 12.315 ( -5.828 18.317 -0.512) 19.228 13.119 ( -7.919 -2.731 -0.821) 8.417 13.842 ( 6.328 10.077 -1.664) 12.014 14.625 ( -7.494 -33.661 -5.290) 34.889 16.204 ( -3.157 12.797 8.593) 15.734 16.594 ( -7.968 3.439 -0.731) 8.709 17.355 ( -12.011 -18.157 2.147) 21.876 18.897 ( -0.128 -6.410 -8.367) 10.541 20.487 ( 11.219 6.811 5.821) 14.358 21.636 ( -1.262 -7.820 -0.535) 7.939 22.834 ( 6.046 11.599 -1.693) 13.189 ======================= Grid point 238 (90/267) ======================= q-point: ( 0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 2.380 -2.553 -5.031) 6.123 2.533 ( 3.513 -3.007 -3.796) 5.983 2.935 ( 4.276 -3.385 -2.262) 5.904 3.184 ( -1.007 1.099 0.654) 1.627 3.554 ( 3.186 -5.829 -3.650) 7.579 3.732 ( 6.768 -16.263 -2.233) 17.756 4.112 ( 1.818 -0.109 5.282) 5.587 4.360 ( 5.949 -2.089 -0.524) 6.327 4.738 ( -6.680 -2.023 4.007) 8.048 5.071 ( -2.224 -14.116 1.899) 14.415 5.305 ( -6.067 -5.832 -4.500) 9.543 5.520 ( -5.186 -5.417 0.666) 7.529 5.765 ( 1.197 -2.914 -1.054) 3.322 5.818 ( 7.460 -8.468 4.066) 11.995 6.191 ( 0.299 2.743 1.287) 3.045 6.552 ( -9.479 -4.332 -0.817) 10.454 6.800 ( 10.576 -4.150 1.862) 11.513 7.755 ( 4.564 -5.461 2.185) 7.445 8.219 ( 6.118 -24.797 -0.959) 25.558 9.148 ( 2.298 -14.553 -0.333) 14.738 9.178 ( 4.737 -11.396 0.057) 12.341 9.762 ( -7.076 1.503 -2.064) 7.522 10.359 ( -3.621 5.689 -0.373) 6.754 11.142 ( -16.144 0.312 -0.435) 16.153 11.894 ( -4.732 0.607 0.368) 4.785 12.235 ( 12.902 -8.961 0.207) 15.710 13.132 ( -6.874 -4.502 0.555) 8.236 13.692 ( 5.293 10.237 -2.162) 11.726 15.095 ( -2.431 -21.817 -3.154) 22.178 15.974 ( -2.358 11.113 4.147) 12.094 16.526 ( -6.968 -2.279 1.408) 7.465 17.594 ( -6.865 -15.016 0.809) 16.530 18.966 ( -2.098 -3.737 -4.273) 6.052 20.430 ( 7.558 7.873 2.461) 11.187 21.775 ( -0.027 -7.672 -0.307) 7.678 22.654 ( 4.604 12.221 -0.361) 13.064 ======================= Grid point 239 (91/267) ======================= q-point: ( 0.57 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( -0.081 -0.705 -4.324) 4.381 2.572 ( 1.362 -1.198 -3.605) 4.036 3.000 ( 3.952 0.501 -2.094) 4.500 3.143 ( 0.342 1.238 -0.981) 1.616 3.654 ( 1.431 -4.670 -0.954) 4.977 3.980 ( 1.815 -2.890 -1.120) 3.592 4.170 ( 9.337 -3.926 2.602) 10.458 4.403 ( 5.155 1.720 -3.832) 6.650 4.739 ( -5.602 -2.212 4.962) 7.804 5.306 ( -1.109 -11.706 0.836) 11.789 5.341 ( -4.603 -3.631 -1.602) 6.077 5.539 ( -3.732 -0.836 1.271) 4.030 5.792 ( -2.468 -1.284 -0.997) 2.955 6.006 ( 6.849 -4.431 3.254) 8.783 6.156 ( 1.836 1.629 -0.446) 2.495 6.601 ( -4.258 -5.740 0.821) 7.194 6.859 ( 4.386 3.026 0.860) 5.398 7.779 ( -4.952 3.155 4.299) 7.277 8.596 ( 7.808 -11.577 -1.843) 14.085 9.377 ( 1.770 -10.340 0.513) 10.502 9.507 ( 1.140 -19.578 -1.758) 19.689 9.846 ( 2.264 -10.386 0.688) 10.652 10.179 ( 0.848 12.971 -1.876) 13.133 10.838 ( -10.241 14.218 -1.022) 17.553 11.916 ( -12.967 -6.696 0.557) 14.604 12.502 ( 12.272 -7.055 0.262) 14.158 13.170 ( -6.917 -4.567 1.113) 8.363 13.556 ( 4.322 7.526 -2.651) 9.075 15.358 ( -0.246 -9.312 0.448) 9.326 15.795 ( -1.791 7.409 -0.626) 7.648 16.586 ( -4.639 -8.131 2.757) 9.759 17.799 ( -2.156 -11.126 -0.141) 11.334 18.986 ( -2.798 -1.110 -1.722) 3.468 20.329 ( 3.758 8.035 0.642) 8.894 21.904 ( -0.069 -6.674 -0.733) 6.715 22.457 ( 2.803 12.405 0.560) 12.730 ======================= Grid point 240 (92/267) ======================= q-point: (-0.36 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( -0.983 1.557 -4.214) 4.599 2.605 ( 2.359 -1.790 -2.341) 3.775 2.935 ( -0.132 6.537 0.107) 6.540 3.172 ( 3.646 -2.134 -5.874) 7.236 3.734 ( 1.018 -2.437 1.359) 2.970 3.931 ( -0.165 5.632 2.155) 6.032 4.293 ( 0.211 -0.196 3.168) 3.181 4.375 ( 12.442 4.596 -9.034) 16.048 4.764 ( -3.410 -2.897 5.538) 7.120 5.306 ( -3.870 2.407 -2.984) 5.447 5.476 ( -2.462 -0.882 2.104) 3.357 5.537 ( -1.669 -5.393 2.109) 6.026 5.774 ( -3.562 0.144 -2.715) 4.481 6.076 ( -1.590 -0.164 5.443) 5.673 6.192 ( 11.238 -1.405 -3.552) 11.870 6.633 ( -2.550 2.981 1.877) 4.348 6.818 ( 1.223 1.574 0.892) 2.183 7.625 ( -10.883 6.516 4.849) 13.580 8.773 ( 8.527 -1.718 -2.875) 9.161 9.499 ( 3.721 2.225 0.199) 4.340 9.829 ( 2.119 25.952 0.112) 26.038 9.891 ( -4.185 -18.221 1.319) 18.742 9.967 ( 0.960 -7.340 -2.569) 7.835 10.832 ( 4.325 -18.385 -1.653) 18.959 11.849 ( -14.730 4.139 0.785) 15.321 12.624 ( 8.252 2.608 -0.028) 8.654 13.190 ( -6.085 -2.799 0.956) 6.766 13.472 ( 3.016 4.424 -2.564) 5.937 15.473 ( -0.926 -4.106 1.656) 4.523 15.680 ( -0.123 3.303 -1.325) 3.561 16.738 ( -1.253 -9.582 2.316) 9.938 17.967 ( 1.470 -7.828 -0.711) 7.996 18.957 ( -2.728 1.921 0.052) 3.337 20.205 ( 0.058 6.856 -0.536) 6.877 22.009 ( 0.471 -4.416 -1.518) 4.694 22.258 ( -0.311 9.921 1.448) 10.031 ======================= Grid point 241 (93/267) ======================= q-point: (-0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -0.217 5.017 -3.552) 6.151 2.638 ( 3.474 2.034 -2.273) 4.623 2.808 ( -1.947 5.207 2.017) 5.914 3.204 ( 4.027 0.724 -9.613) 10.448 3.696 ( -0.391 8.104 4.814) 9.434 3.880 ( -0.627 -1.023 1.504) 1.924 4.216 ( -2.919 4.783 0.998) 5.692 4.348 ( 11.230 8.794 -6.865) 15.829 4.813 ( -1.797 -2.971 5.546) 6.543 5.174 ( -3.405 8.327 -1.529) 9.125 5.379 ( -3.991 6.789 1.130) 7.956 5.623 ( -0.196 -1.348 -1.527) 2.047 5.749 ( -3.945 -1.967 -0.186) 4.412 6.059 ( -1.676 0.958 2.755) 3.364 6.307 ( 11.618 2.204 -1.605) 11.934 6.455 ( -2.219 9.087 1.249) 9.437 6.825 ( -0.977 0.310 1.400) 1.735 7.452 ( -9.405 5.439 4.315) 11.690 8.746 ( 6.494 11.287 -1.712) 13.134 9.267 ( -0.311 22.136 -2.079) 22.235 9.368 ( -0.488 18.299 -0.160) 18.307 10.152 ( 7.319 -15.120 0.986) 16.827 10.296 ( -0.342 -18.934 -0.843) 18.956 11.281 ( 6.344 -14.211 -0.784) 15.582 11.580 ( -14.341 5.551 0.400) 15.383 12.520 ( 4.406 13.544 -0.367) 14.247 13.195 ( -3.725 -1.695 0.593) 4.135 13.425 ( 1.289 1.467 -2.308) 3.023 15.477 ( 0.027 1.862 -5.783) 6.075 15.730 ( 0.835 -7.653 6.288) 9.940 16.907 ( 1.447 -8.208 1.645) 8.495 18.105 ( 3.177 -5.722 -1.723) 6.768 18.872 ( -1.494 6.100 2.188) 6.650 20.085 ( -3.126 4.725 -1.763) 5.934 21.981 ( 2.464 9.235 -0.170) 9.559 22.192 ( -4.194 -5.270 0.310) 6.742 ======================= Grid point 242 (94/267) ======================= q-point: (-0.21 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 1.911 9.989 -2.092) 10.383 2.486 ( -0.215 14.860 -0.184) 14.863 2.776 ( 0.431 0.533 1.793) 1.919 3.138 ( 3.507 6.869 -11.001) 13.436 3.552 ( -1.208 6.521 3.526) 7.512 3.908 ( 0.100 -0.931 1.553) 1.813 4.102 ( -5.770 7.529 3.710) 10.185 4.180 ( 7.389 12.626 -6.064) 15.836 4.852 ( -2.065 -0.483 3.495) 4.088 4.973 ( -1.619 9.816 -0.326) 9.954 5.207 ( -2.308 8.859 0.744) 9.185 5.579 ( -0.905 3.861 -3.967) 5.609 5.777 ( -2.295 -1.513 2.173) 3.504 6.022 ( -3.421 12.594 -1.098) 13.097 6.061 ( 0.368 7.483 2.573) 7.922 6.530 ( 16.310 0.081 -0.447) 16.317 6.765 ( -8.922 0.971 1.284) 9.066 7.264 ( -5.420 12.051 2.889) 13.526 8.434 ( 4.270 25.734 -0.396) 26.089 8.897 ( -2.776 14.181 1.622) 14.541 9.152 ( 2.752 7.537 -4.880) 9.391 10.465 ( 14.259 -6.851 -0.435) 15.826 10.607 ( -5.405 -17.893 0.945) 18.716 10.949 ( -10.407 25.755 1.528) 27.820 11.839 ( 2.437 -11.102 -1.163) 11.426 12.279 ( 1.133 6.633 -1.542) 6.903 13.210 ( -1.314 -2.197 0.086) 2.561 13.436 ( -0.065 -2.586 -1.874) 3.194 15.437 ( 5.060 2.136 -10.821) 12.135 15.947 ( -2.015 -13.972 10.007) 17.303 17.058 ( 2.333 -6.349 1.172) 6.865 18.196 ( -1.582 -3.153 -6.049) 7.002 18.733 ( 4.839 10.590 7.507) 13.854 19.974 ( -6.362 3.503 -4.272) 8.426 21.817 ( 2.252 9.392 2.425) 9.958 22.290 ( -3.112 -7.305 -0.981) 8.001 ======================= Grid point 243 (95/267) ======================= q-point: (-0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 4.486 15.696 -0.054) 16.325 2.125 ( -2.674 23.741 4.364) 24.287 2.734 ( 2.006 5.176 -2.898) 6.262 2.998 ( 2.030 7.786 -9.026) 12.092 3.432 ( 0.109 9.553 -0.661) 9.577 3.772 ( 0.445 19.957 1.962) 20.058 3.932 ( -3.648 -1.050 2.918) 4.787 4.090 ( -0.708 2.467 1.476) 2.960 4.724 ( -0.959 9.910 -1.218) 10.031 4.892 ( 2.313 3.382 0.399) 4.117 5.051 ( -1.659 7.334 0.714) 7.553 5.449 ( -1.049 11.508 -0.027) 11.556 5.577 ( -2.617 16.630 -5.277) 17.642 5.851 ( -1.806 -0.742 3.781) 4.255 6.064 ( 0.905 -0.678 -0.323) 1.176 6.409 ( 4.324 20.837 1.850) 21.362 6.834 ( 4.405 -6.735 -1.006) 8.110 6.917 ( -4.965 20.155 2.917) 20.961 7.944 ( 1.257 28.341 -0.811) 28.380 8.740 ( -2.909 2.089 2.069) 4.137 9.063 ( 2.535 4.178 -4.277) 6.495 10.321 ( -0.256 26.213 1.115) 26.238 10.584 ( -0.399 6.028 -0.775) 6.091 10.962 ( -0.418 -17.141 1.913) 17.252 11.695 ( 0.048 13.574 -0.161) 13.575 12.516 ( 0.977 -21.392 -4.377) 21.857 13.261 ( -0.197 -4.115 -0.395) 4.139 13.501 ( 0.549 -4.502 -1.275) 4.711 15.414 ( 7.373 3.247 -17.031) 18.840 16.226 ( -5.254 -16.224 12.139) 20.932 17.169 ( -0.680 -4.655 0.701) 4.756 18.074 ( -13.890 9.623 -11.577) 20.483 18.673 ( 17.441 6.293 13.492) 22.931 19.810 ( -10.544 7.352 -10.546) 16.627 21.726 ( 5.993 3.715 7.357) 10.191 22.391 ( -1.096 -5.734 -1.429) 6.010 ======================= Grid point 244 (96/267) ======================= q-point: (-0.07 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 6.597 19.772 2.933) 21.049 1.636 ( -2.869 27.976 8.395) 29.349 2.630 ( 4.923 6.910 -8.822) 12.239 2.797 ( 1.375 17.281 -9.885) 19.956 3.089 ( 3.601 25.526 7.657) 26.892 3.554 ( -3.572 3.708 -2.163) 5.584 3.937 ( -2.851 -0.824 3.440) 4.543 4.039 ( -2.075 3.257 3.934) 5.512 4.555 ( 5.630 10.545 0.005) 11.954 4.743 ( 0.477 24.106 -0.614) 24.118 4.834 ( 1.413 11.120 -4.209) 11.974 5.192 ( 0.032 9.249 -0.567) 9.266 5.350 ( -5.589 8.793 -3.025) 10.849 5.848 ( -3.222 6.677 1.034) 7.485 5.941 ( -1.650 19.994 0.856) 20.080 6.070 ( 3.626 3.474 -1.877) 5.361 6.559 ( 0.470 13.983 7.202) 15.736 6.923 ( 6.527 9.052 -1.924) 11.325 7.552 ( -3.951 6.986 -0.243) 8.030 8.741 ( -3.263 -3.066 0.961) 4.580 9.003 ( 0.648 2.988 -2.561) 3.988 9.926 ( -3.539 16.316 1.280) 16.745 10.325 ( 8.898 22.385 -0.508) 24.094 11.248 ( -5.255 -15.612 1.210) 16.518 11.582 ( -2.440 -1.571 -0.149) 2.906 12.875 ( 0.963 -17.717 -7.242) 19.165 13.357 ( -0.644 -6.976 -0.820) 7.053 13.597 ( 3.883 -4.422 -0.929) 5.958 15.260 ( -3.531 14.574 -27.850) 31.631 16.481 ( -7.589 -12.940 12.162) 19.312 17.194 ( -11.539 -1.716 -0.998) 11.708 17.676 ( -6.201 18.802 -7.275) 21.092 18.749 ( 11.700 3.637 8.903) 15.145 19.471 ( -4.481 19.094 -18.240) 26.784 21.848 ( 6.476 -9.702 13.780) 18.054 22.484 ( 5.713 -3.938 -0.858) 6.991 ======================= Grid point 248 (97/267) ======================= q-point: ( 0.21 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 15.892 0.000 -6.901) 17.326 1.289 ( 15.049 0.000 6.095) 16.237 1.699 ( -6.166 -0.000 1.739) 6.407 2.156 ( 25.799 0.000 -3.243) 26.002 2.413 ( 4.220 0.000 -5.940) 7.286 2.732 ( 2.915 0.000 0.493) 2.956 2.969 ( 9.974 0.000 9.396) 13.703 3.673 ( -5.451 -0.000 -0.172) 5.454 3.724 ( -5.803 -0.000 -6.932) 9.040 4.240 ( 2.026 0.000 0.430) 2.071 4.362 ( -10.464 -0.000 -3.350) 10.987 5.049 ( 13.221 0.000 -0.820) 13.246 5.129 ( 0.413 0.000 0.271) 0.494 5.413 ( 1.486 0.000 6.049) 6.229 5.663 ( -18.761 -0.000 2.350) 18.907 5.992 ( 3.068 0.000 0.976) 3.219 6.408 ( -1.925 -0.000 2.292) 2.993 6.781 ( 3.887 0.000 -0.063) 3.887 6.870 ( 10.062 0.000 1.819) 10.225 8.891 ( -0.107 -0.000 -2.197) 2.200 9.075 ( 8.107 0.000 0.450) 8.120 9.540 ( 4.269 0.000 -1.839) 4.649 9.689 ( -6.263 -0.000 -0.005) 6.263 11.177 ( -5.739 -0.000 -0.170) 5.741 11.344 ( -13.950 -0.000 1.205) 14.002 12.267 ( 18.072 0.000 -15.455) 23.780 13.411 ( -7.084 -0.000 -0.782) 7.127 13.830 ( 0.726 0.000 0.066) 0.729 14.066 ( 10.452 0.000 -0.737) 10.477 16.166 ( -44.606 -0.000 13.463) 46.593 16.578 ( -0.088 -0.000 -0.161) 0.183 17.433 ( 0.088 0.000 0.104) 0.137 18.223 ( 25.707 0.000 -27.758) 37.833 20.439 ( 29.809 0.000 25.347) 39.129 21.549 ( -23.773 -0.000 -5.561) 24.415 23.469 ( -0.052 -0.000 -14.082) 14.082 ======================= Grid point 249 (98/267) ======================= q-point: ( 0.29 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 19.829 -6.077 -10.827) 23.395 1.617 ( 15.409 -17.784 7.274) 24.629 2.168 ( 2.699 -29.384 -3.140) 29.674 2.375 ( 7.952 -9.642 -2.729) 12.792 2.603 ( 2.985 -22.548 -3.634) 23.033 3.086 ( 4.721 -12.560 7.161) 15.209 3.264 ( 4.085 -38.239 -2.288) 38.524 3.641 ( -6.177 -2.915 0.993) 6.902 3.805 ( -5.858 -14.628 0.238) 15.759 4.255 ( 2.236 -0.267 0.561) 2.321 4.353 ( -7.463 -7.177 -1.080) 10.410 5.079 ( -1.733 0.909 0.258) 1.974 5.166 ( 2.055 -2.914 1.345) 3.811 5.466 ( 12.895 0.802 0.187) 12.921 5.612 ( -15.289 -9.128 -1.034) 17.837 6.040 ( 7.694 -1.511 2.914) 8.365 6.383 ( -0.610 1.906 1.544) 2.528 6.647 ( 8.377 6.686 0.742) 10.744 7.203 ( 2.641 -14.416 0.291) 14.659 8.831 ( 0.090 3.796 -0.749) 3.870 9.101 ( 8.708 2.734 0.236) 9.130 9.549 ( 5.479 -3.801 -1.513) 6.837 10.033 ( -6.098 -31.648 -0.755) 32.239 10.991 ( -22.449 6.394 -0.122) 23.342 11.285 ( -6.293 1.675 1.856) 6.772 12.497 ( 10.243 -14.559 -13.403) 22.282 13.269 ( -7.073 9.337 -0.383) 11.720 13.730 ( 0.376 8.092 0.114) 8.101 14.152 ( 9.699 0.382 -0.674) 9.730 16.066 ( -42.088 -19.913 11.362) 47.927 16.575 ( -0.072 0.386 0.212) 0.446 17.339 ( 0.342 9.442 0.302) 9.453 18.414 ( 17.301 -7.801 -22.662) 29.559 20.638 ( 15.040 2.699 24.182) 28.606 21.408 ( -11.894 -1.311 -5.238) 13.062 23.371 ( 2.697 7.356 -10.992) 13.498 ======================= Grid point 250 (99/267) ======================= q-point: ( 0.36 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 19.749 -15.520 -11.606) 27.669 2.059 ( 18.405 -12.974 8.882) 24.206 2.510 ( 6.168 -11.652 -6.348) 14.633 2.584 ( 1.260 -11.946 -3.966) 12.650 3.003 ( -2.873 -13.541 1.998) 13.986 3.385 ( 4.523 -11.302 2.298) 12.389 3.727 ( -8.779 -11.662 4.196) 15.188 3.860 ( -5.631 -26.443 -4.268) 27.371 4.267 ( 1.267 -17.849 4.379) 18.422 4.319 ( -5.724 -17.001 1.326) 17.988 4.565 ( -0.236 -24.725 -1.729) 24.787 5.048 ( -5.831 -1.057 1.317) 6.070 5.249 ( 2.522 -4.848 1.564) 5.684 5.561 ( 9.289 -2.243 -2.005) 9.764 5.835 ( -9.400 -27.834 -3.892) 29.635 6.186 ( 14.074 -4.345 4.519) 15.406 6.350 ( 0.509 1.602 1.032) 1.972 6.640 ( 6.443 1.074 0.316) 6.540 7.419 ( 5.584 -8.472 -0.710) 10.172 8.777 ( -0.546 2.136 1.215) 2.518 9.111 ( 8.070 3.079 -0.992) 8.694 9.714 ( 2.311 -10.164 -1.259) 10.499 10.519 ( -14.568 -10.916 -0.411) 18.209 10.769 ( -1.744 -5.772 0.298) 6.037 11.216 ( -10.396 -5.756 0.743) 11.907 12.793 ( -7.165 -16.949 -9.361) 20.646 12.991 ( -5.799 15.273 -0.690) 16.351 13.663 ( 1.126 -3.330 -0.006) 3.516 14.165 ( 8.435 5.176 -0.404) 9.905 16.236 ( -34.624 -23.956 9.878) 43.246 16.563 ( -0.641 0.400 0.925) 1.194 17.136 ( -0.212 11.670 -0.217) 11.674 18.615 ( 8.869 -8.115 -16.849) 20.698 20.687 ( 5.427 3.778 15.790) 17.119 21.407 ( -1.067 -3.920 -1.575) 4.357 23.222 ( 4.325 9.439 -6.502) 12.251 ======================= Grid point 251 (100/267) ======================= q-point: ( 0.43 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 12.621 -10.847 -9.731) 19.278 2.371 ( 16.830 -5.878 4.244) 18.325 2.730 ( 3.772 -9.454 -1.457) 10.283 2.851 ( 5.301 -16.197 -3.814) 17.464 3.156 ( -5.902 -9.144 0.881) 10.919 3.511 ( 3.773 -1.801 0.121) 4.182 3.878 ( -7.241 -10.639 2.551) 13.120 4.220 ( -0.186 -12.378 -0.817) 12.407 4.435 ( -3.812 -14.288 0.533) 14.797 4.594 ( -5.659 -11.899 3.469) 13.625 5.041 ( -4.766 -8.380 1.022) 9.695 5.075 ( -7.350 -18.676 -1.725) 20.144 5.437 ( 10.807 -10.528 1.581) 15.170 5.663 ( 2.482 -4.028 -0.884) 4.813 6.290 ( 0.193 -1.295 1.384) 1.905 6.324 ( -9.615 -15.135 -2.676) 18.130 6.474 ( 8.633 -14.998 3.267) 17.611 6.806 ( 16.230 -20.580 0.148) 26.210 7.645 ( 10.093 -9.814 -1.401) 14.147 8.771 ( 0.459 -2.199 3.008) 3.755 9.106 ( 6.556 2.656 -2.293) 7.436 9.869 ( -5.236 -4.219 -1.079) 6.810 10.338 ( -21.549 -1.563 -0.405) 21.610 10.842 ( -3.810 1.820 1.109) 4.365 11.574 ( 12.890 -24.018 -0.238) 27.259 12.619 ( -7.333 19.046 0.044) 20.409 12.938 ( -12.688 -8.752 -4.520) 16.063 13.914 ( 0.040 -18.676 -2.678) 18.867 14.120 ( 5.538 0.591 0.284) 5.576 16.327 ( -15.472 -1.816 8.348) 17.674 16.570 ( -7.673 -2.065 0.777) 7.984 17.011 ( -4.196 -4.196 -0.979) 6.014 18.762 ( 3.057 -6.758 -10.893) 13.179 20.677 ( 5.046 4.484 8.474) 10.834 21.502 ( 1.468 -6.124 0.079) 6.298 23.064 ( 4.010 10.214 -2.972) 11.368 ======================= Grid point 252 (101/267) ======================= q-point: ( 0.50 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 4.835 -3.326 -5.902) 8.322 2.539 ( 9.973 -1.381 -0.311) 10.073 2.886 ( 4.537 -5.018 -1.891) 7.024 3.126 ( -0.730 -7.365 1.192) 7.496 3.380 ( 5.715 -17.992 -3.312) 19.166 3.564 ( 2.578 -3.298 -0.739) 4.251 4.027 ( -4.061 -9.219 2.694) 10.428 4.355 ( 4.875 -3.477 -2.073) 6.336 4.618 ( -8.602 -7.469 2.075) 11.580 4.795 ( -1.696 -14.327 4.056) 14.986 5.099 ( -9.181 -7.684 -2.863) 12.310 5.332 ( -3.413 -11.823 0.318) 12.309 5.714 ( 5.597 -5.115 -2.681) 8.042 5.747 ( 7.546 -7.445 5.318) 11.859 6.256 ( 1.274 3.218 0.843) 3.562 6.385 ( -11.586 -5.398 -1.969) 12.932 6.764 ( 10.011 -8.824 2.379) 13.555 7.523 ( 12.742 -32.415 0.203) 34.830 7.878 ( 6.309 -10.795 -0.083) 12.503 8.918 ( 3.178 -11.732 2.711) 12.453 9.119 ( 5.408 -0.489 -2.370) 5.925 9.747 ( -11.748 4.820 -1.416) 12.777 10.349 ( -6.855 -5.312 -0.107) 8.673 10.836 ( -15.075 -10.170 0.227) 18.187 12.001 ( 14.482 -3.972 0.161) 15.017 12.245 ( -1.895 10.020 -0.177) 10.199 12.972 ( -11.412 -6.421 -0.937) 13.128 13.913 ( 4.553 9.858 -1.768) 11.001 14.546 ( -1.874 -32.919 -1.514) 33.007 16.165 ( -6.489 10.221 4.555) 12.935 16.495 ( -4.924 2.785 0.619) 5.691 17.215 ( -7.643 -19.082 0.265) 20.557 18.863 ( -0.010 -5.171 -6.095) 7.993 20.627 ( 5.203 6.833 4.148) 9.538 21.639 ( 1.446 -7.455 -0.085) 7.595 22.895 ( 3.250 11.019 -0.765) 11.514 ======================= Grid point 253 (102/267) ======================= q-point: ( 0.57 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 1.229 -0.944 -3.993) 4.283 2.587 ( 4.964 1.002 -1.015) 5.165 2.992 ( 4.790 -3.767 -3.589) 7.072 3.167 ( -1.794 0.668 1.747) 2.591 3.584 ( 2.917 -4.061 -2.406) 5.549 3.824 ( 6.519 -15.616 -2.872) 17.164 4.152 ( 0.215 -5.485 4.620) 7.175 4.432 ( 5.192 -1.621 -5.174) 7.507 4.656 ( -6.294 -3.412 3.695) 8.057 5.062 ( -0.848 -14.291 3.750) 14.799 5.173 ( -8.213 -8.191 -3.513) 12.120 5.463 ( -3.022 -5.298 0.689) 6.138 5.751 ( -1.485 -1.292 -0.301) 1.991 5.981 ( 10.078 -5.642 2.757) 11.874 6.211 ( 2.247 2.628 -0.413) 3.483 6.435 ( -6.261 -8.123 0.025) 10.256 6.920 ( 5.015 -1.337 1.006) 5.287 7.819 ( 2.274 1.051 3.979) 4.702 8.315 ( 6.588 -25.241 -0.759) 26.098 9.166 ( 1.685 -11.348 -2.590) 11.761 9.244 ( 2.516 -11.035 2.044) 11.501 9.686 ( -2.219 -6.254 -1.014) 6.713 10.337 ( 1.575 3.824 -0.825) 4.217 10.886 ( -17.931 -3.180 -0.351) 18.214 11.814 ( -5.366 8.289 0.129) 9.876 12.437 ( 13.711 -9.829 0.097) 16.870 13.013 ( -9.443 -6.507 0.615) 11.485 13.747 ( 3.561 10.486 -2.271) 11.305 15.066 ( -0.491 -23.390 -0.369) 23.398 15.939 ( -3.537 10.203 -0.188) 10.801 16.454 ( -3.966 -2.251 2.869) 5.388 17.512 ( -4.386 -17.582 0.091) 18.121 18.924 ( -1.242 -3.191 -2.833) 4.444 20.521 ( 3.716 9.021 1.654) 9.896 21.781 ( 0.851 -7.044 -0.677) 7.127 22.705 ( 2.518 12.149 0.490) 12.417 ======================= Grid point 254 (103/267) ======================= q-point: (-0.36 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 0.222 0.141 -3.489) 3.499 2.604 ( 3.781 -0.087 0.230) 3.789 3.044 ( 2.850 3.233 -1.908) 4.714 3.137 ( 0.210 -1.259 -3.646) 3.863 3.677 ( 1.857 -4.389 0.466) 4.788 3.996 ( 0.980 -0.851 -1.472) 1.963 4.266 ( 0.333 -3.855 4.268) 5.761 4.472 ( 7.746 -0.094 -8.392) 11.421 4.692 ( -2.878 -3.673 4.921) 6.782 5.227 ( -5.940 -5.825 -4.884) 9.647 5.325 ( -0.270 -11.747 4.641) 12.633 5.497 ( -2.684 -0.860 0.916) 2.964 5.745 ( -2.540 -0.062 -1.873) 3.156 6.076 ( -0.076 -0.233 4.307) 4.314 6.230 ( 8.521 -1.360 -3.508) 9.315 6.564 ( -1.742 -7.486 2.283) 8.018 6.909 ( 1.880 4.558 0.759) 4.988 7.711 ( -6.271 8.617 5.418) 11.956 8.703 ( 6.888 -12.135 -1.985) 14.094 9.414 ( 2.433 -13.540 1.637) 13.854 9.504 ( -0.132 -17.564 -2.018) 17.680 9.854 ( -1.711 -7.499 0.672) 7.721 10.248 ( 9.057 12.418 -1.288) 15.424 10.679 ( -10.396 4.489 -1.326) 11.401 11.753 ( -8.799 -3.327 0.426) 9.417 12.663 ( 9.406 -4.679 0.062) 10.506 13.066 ( -7.541 -5.764 1.098) 9.555 13.596 ( 2.678 7.660 -2.739) 8.564 15.362 ( 0.191 -9.681 2.042) 9.896 15.760 ( -1.799 6.663 -2.707) 7.414 16.543 ( -2.789 -9.187 2.895) 10.028 17.775 ( -0.985 -13.382 -0.284) 13.421 18.948 ( -1.315 -0.926 -0.597) 1.715 20.368 ( 1.483 9.830 0.032) 9.941 21.902 ( 0.119 -6.154 -1.268) 6.285 22.492 ( 1.498 13.143 1.224) 13.284 ======================= Grid point 255 (104/267) ======================= q-point: (-0.29 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 1.215 1.651 -2.977) 3.614 2.653 ( 4.242 -1.595 1.424) 4.750 2.932 ( -0.230 7.861 -0.077) 7.865 3.185 ( 2.092 -2.711 -8.555) 9.215 3.759 ( 0.991 -2.394 2.398) 3.531 3.932 ( -1.080 6.175 1.956) 6.567 4.251 ( -5.282 2.595 -1.060) 5.980 4.509 ( 7.689 2.056 -7.197) 10.731 4.768 ( 1.415 -3.269 6.186) 7.139 5.232 ( -3.517 0.695 -3.266) 4.849 5.446 ( -2.261 2.850 0.932) 3.755 5.528 ( -0.975 -7.819 2.269) 8.200 5.715 ( -2.118 0.686 -3.069) 3.792 6.064 ( -2.189 0.594 3.207) 3.928 6.336 ( 8.341 -3.721 -2.835) 9.563 6.612 ( -1.346 4.533 2.742) 5.466 6.837 ( 0.693 2.289 1.182) 2.668 7.510 ( -6.954 7.658 5.648) 11.786 8.860 ( 4.569 -1.348 -3.016) 5.638 9.562 ( 4.173 8.218 -0.251) 9.220 9.811 ( -5.675 -10.464 3.111) 12.304 9.860 ( 0.817 19.777 -0.245) 19.795 9.982 ( 1.986 -14.580 -2.695) 14.959 10.888 ( 3.561 -24.311 -1.599) 24.623 11.682 ( -7.196 6.576 0.853) 9.785 12.715 ( 3.896 4.670 -0.288) 6.089 13.117 ( -3.966 -4.227 0.904) 5.866 13.496 ( 1.777 4.878 -2.582) 5.798 15.462 ( -1.235 -1.936 0.767) 2.421 15.682 ( 0.836 0.240 -0.351) 0.937 16.727 ( -1.315 -11.202 1.847) 11.429 17.980 ( 0.596 -9.280 -0.963) 9.349 18.937 ( -0.284 1.615 1.493) 2.218 20.198 ( -0.432 8.896 -1.391) 9.015 22.006 ( 0.177 -5.692 -1.756) 5.959 22.263 ( -0.033 12.574 1.800) 12.703 ======================= Grid point 256 (105/267) ======================= q-point: (-0.21 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 3.494 4.603 -1.838) 6.064 2.687 ( 3.614 4.922 -0.992) 6.186 2.801 ( -0.144 3.678 3.093) 4.808 3.204 ( 2.106 0.364 -11.344) 11.543 3.701 ( -2.559 9.141 5.855) 11.153 3.876 ( -0.827 -1.219 1.340) 1.991 4.139 ( -6.216 3.871 -2.586) 7.766 4.441 ( 4.165 8.931 -6.406) 11.754 4.836 ( 1.242 -1.262 6.631) 6.864 5.137 ( 0.133 7.387 -1.356) 7.511 5.338 ( -1.741 6.699 0.083) 6.922 5.610 ( -0.273 0.015 -2.595) 2.609 5.706 ( -1.554 -3.023 0.639) 3.459 6.047 ( -1.442 0.408 1.591) 2.185 6.386 ( 0.912 16.999 1.547) 17.094 6.479 ( 2.140 -7.004 -1.552) 7.486 6.820 ( 0.209 2.887 2.167) 3.616 7.379 ( -2.575 4.841 4.690) 7.216 8.794 ( 0.681 11.269 -1.564) 11.397 9.264 ( 1.085 24.059 -1.711) 24.144 9.368 ( 0.529 17.712 -0.798) 17.738 10.196 ( -5.075 -21.717 1.716) 22.368 10.303 ( 4.132 -16.325 -1.199) 16.883 11.384 ( 6.750 13.544 0.553) 15.143 11.417 ( -6.094 -20.463 -0.689) 21.362 12.552 ( 0.215 14.470 -0.611) 14.484 13.161 ( -0.952 -2.578 0.422) 2.781 13.433 ( 1.106 2.145 -2.186) 3.256 15.455 ( 0.176 0.394 -5.522) 5.539 15.763 ( 0.068 -7.290 6.152) 9.540 16.914 ( -1.351 -9.559 1.205) 9.729 18.106 ( -1.507 -4.796 -2.953) 5.831 18.899 ( 2.920 3.857 4.729) 6.765 20.040 ( -1.280 7.177 -3.271) 7.990 22.024 ( 2.901 10.230 1.625) 10.757 22.141 ( -2.471 -5.868 -1.100) 6.461 ======================= Grid point 257 (106/267) ======================= q-point: (-0.14 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 5.367 9.467 -0.563) 10.897 2.489 ( 1.006 16.023 -0.777) 16.073 2.805 ( 2.136 1.086 3.052) 3.881 3.133 ( 2.650 6.585 -12.109) 14.036 3.535 ( -3.437 6.386 4.056) 8.309 3.882 ( -5.681 -0.206 0.485) 5.705 4.027 ( -3.269 4.237 0.643) 5.390 4.230 ( 2.125 13.877 -3.772) 14.537 4.845 ( -1.000 2.671 3.521) 4.531 5.000 ( 5.153 7.849 0.901) 9.432 5.197 ( 0.269 8.041 0.600) 8.067 5.548 ( -0.170 4.658 -5.249) 7.020 5.762 ( -1.136 -1.656 2.228) 2.999 5.988 ( -1.027 12.580 -0.292) 12.625 6.090 ( 2.529 7.909 1.777) 8.492 6.586 ( -13.211 -2.577 0.229) 13.462 6.759 ( 11.214 2.908 1.366) 11.665 7.258 ( 3.017 11.491 2.838) 12.215 8.438 ( -3.522 25.197 -0.316) 25.443 8.880 ( -0.018 15.663 0.919) 15.690 9.166 ( 1.666 7.128 -4.315) 8.498 10.432 ( -14.662 -9.111 -0.835) 17.282 10.636 ( 4.740 -16.077 1.294) 16.811 10.949 ( 9.662 26.297 1.547) 28.058 11.847 ( -0.772 -11.190 -0.986) 11.260 12.271 ( -1.104 6.886 -1.713) 7.181 13.205 ( 0.605 -2.381 -0.031) 2.457 13.440 ( 1.690 -2.475 -1.766) 3.478 15.440 ( 1.580 0.553 -11.162) 11.287 15.953 ( -3.205 -12.450 10.499) 16.599 17.044 ( -4.937 -6.496 0.798) 8.198 18.086 ( -7.618 2.980 -5.733) 9.989 18.883 ( 8.189 3.596 8.744) 12.508 19.895 ( -0.110 7.396 -6.411) 9.789 21.872 ( 2.339 7.668 3.682) 8.822 22.265 ( 1.197 -7.586 -1.724) 7.871 ======================= Grid point 258 (107/267) ======================= q-point: (-0.07 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 5.656 14.938 0.813) 15.994 2.134 ( 2.407 24.118 0.908) 24.255 2.768 ( 4.033 5.433 -1.460) 6.922 2.979 ( 1.236 8.668 -10.447) 13.631 3.427 ( -0.511 6.052 -0.235) 6.078 3.704 ( -9.436 13.888 2.320) 16.950 3.952 ( 4.189 4.044 2.665) 6.403 4.074 ( -2.100 2.377 2.548) 4.068 4.738 ( 3.375 8.162 -1.603) 8.976 4.949 ( 2.321 3.983 2.319) 5.160 5.048 ( 2.480 9.898 0.794) 10.235 5.419 ( -2.177 7.795 -2.636) 8.512 5.563 ( 3.625 20.711 -4.844) 21.577 5.858 ( 0.301 -0.108 4.373) 4.384 6.060 ( -1.970 1.775 1.382) 2.990 6.357 ( -8.717 13.814 -0.273) 16.337 6.827 ( -0.742 8.128 0.503) 8.178 7.064 ( 15.748 7.628 1.925) 17.604 7.882 ( -8.945 29.322 -0.544) 30.661 8.714 ( -1.066 3.222 0.988) 3.535 9.065 ( 0.117 4.394 -3.278) 5.483 10.232 ( -7.786 16.428 -0.287) 18.182 10.723 ( 13.354 13.250 0.565) 18.820 10.926 ( -3.862 -14.759 1.306) 15.312 11.660 ( -4.491 13.712 0.011) 14.428 12.503 ( -0.386 -21.296 -3.869) 21.649 13.258 ( -0.142 -3.488 -0.467) 3.522 13.537 ( 5.033 -5.506 -1.276) 7.568 15.352 ( -5.872 6.733 -17.289) 19.461 16.199 ( -5.410 -14.756 12.818) 20.281 17.065 ( -12.000 -2.526 -0.380) 12.269 17.869 ( -9.867 11.350 -3.849) 15.525 18.907 ( 6.881 3.584 7.011) 10.457 19.737 ( 8.417 10.773 -8.880) 16.302 21.815 ( 0.327 0.770 4.795) 4.867 22.425 ( 7.116 -7.396 -0.794) 10.294 ======================= Grid point 263 (108/267) ======================= q-point: ( 0.29 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 22.899 0.000 -10.351) 25.130 1.474 ( 5.721 0.000 0.341) 5.731 1.656 ( 0.673 0.000 5.322) 5.365 2.440 ( 16.085 0.000 -6.774) 17.453 2.458 ( 4.893 0.000 -4.468) 6.626 2.773 ( 2.494 0.000 -0.183) 2.500 3.104 ( 3.216 0.000 6.939) 7.648 3.590 ( -5.747 -0.000 0.072) 5.748 3.643 ( -3.197 -0.000 -1.088) 3.377 4.234 ( -7.368 -0.000 3.799) 8.290 4.269 ( 1.621 0.000 0.279) 1.645 5.073 ( -5.872 -0.000 1.535) 6.069 5.136 ( 0.400 0.000 0.169) 0.434 5.411 ( -13.906 -0.000 -4.743) 14.693 5.590 ( 12.012 0.000 2.482) 12.266 6.103 ( 13.127 0.000 3.172) 13.505 6.402 ( -0.666 -0.000 2.537) 2.623 6.840 ( 4.052 0.000 -0.040) 4.052 7.053 ( 14.594 0.000 -0.044) 14.594 8.862 ( -2.696 -0.000 -1.559) 3.114 9.206 ( 8.930 0.000 0.746) 8.961 9.574 ( 1.474 0.000 -1.679) 2.234 9.594 ( -6.473 -0.000 0.026) 6.473 10.844 ( -29.793 -0.000 0.101) 29.793 11.315 ( 0.850 0.000 1.776) 1.969 12.478 ( 18.871 0.000 -10.619) 21.653 13.305 ( -6.815 -0.000 -0.174) 6.817 13.841 ( 0.720 0.000 0.000) 0.720 14.200 ( 8.032 0.000 -0.627) 8.056 15.559 ( -44.692 -0.000 8.764) 45.543 16.576 ( -0.099 -0.000 -0.037) 0.105 17.434 ( 0.060 0.000 0.027) 0.066 18.423 ( 16.680 0.000 -19.691) 25.806 20.756 ( -3.923 -0.000 21.553) 21.907 21.347 ( 2.051 0.000 -1.626) 2.618 23.425 ( 1.552 0.000 -10.916) 11.026 ======================= Grid point 264 (109/267) ======================= q-point: ( 0.36 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 25.548 -4.977 -8.489) 27.378 1.840 ( 11.309 -22.252 4.061) 25.289 2.150 ( -2.649 -38.740 1.013) 38.843 2.486 ( 8.125 0.147 -4.577) 9.327 2.640 ( 3.966 -18.195 -3.088) 18.876 3.120 ( -2.733 -14.281 1.593) 14.627 3.293 ( 1.362 -29.852 -3.137) 30.047 3.563 ( -4.272 -2.737 0.200) 5.078 3.745 ( -4.331 -14.924 4.037) 16.055 4.266 ( -4.542 -6.777 4.470) 9.303 4.292 ( 1.007 -2.844 0.945) 3.161 5.012 ( -6.731 1.089 2.002) 7.107 5.178 ( 0.425 -3.864 0.598) 3.933 5.402 ( -10.717 -11.156 -5.763) 16.508 5.633 ( 6.582 2.273 0.788) 7.007 6.249 ( 17.372 -2.131 3.257) 17.803 6.387 ( -0.021 1.588 1.857) 2.443 6.779 ( 9.050 6.135 0.095) 10.933 7.299 ( 11.361 -9.839 -1.026) 15.064 8.804 ( -3.480 2.157 -0.378) 4.112 9.234 ( 8.574 3.111 0.381) 9.129 9.599 ( 2.080 -4.173 -1.103) 4.792 9.938 ( -5.758 -35.573 -0.529) 36.040 10.592 ( -29.525 2.158 0.067) 29.604 11.248 ( -1.280 7.608 1.123) 7.796 12.624 ( 13.652 -3.118 -8.424) 16.342 13.173 ( -5.765 8.955 0.027) 10.650 13.735 ( 0.095 7.786 0.478) 7.801 14.274 ( 7.281 0.137 -0.465) 7.298 15.495 ( -40.797 -24.245 6.666) 47.923 16.576 ( -0.010 0.144 0.291) 0.325 17.344 ( 0.159 9.336 0.074) 9.337 18.539 ( 11.764 -4.462 -15.863) 20.246 20.730 ( -9.768 -0.413 13.442) 16.622 21.398 ( 7.674 -0.259 3.104) 8.282 23.367 ( 2.447 5.284 -7.456) 9.461 ======================= Grid point 265 (110/267) ======================= q-point: ( 0.43 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 20.904 -9.812 -7.503) 24.281 2.332 ( 13.238 -17.374 6.994) 22.934 2.572 ( 3.232 -7.047 -2.152) 8.046 2.597 ( 4.815 -15.189 -4.176) 16.472 2.972 ( -1.435 -8.677 -0.511) 8.810 3.422 ( -1.507 -18.198 1.176) 18.298 3.588 ( -9.695 -11.288 -0.364) 14.885 3.766 ( -4.185 -21.996 -3.979) 22.741 4.203 ( -8.890 -27.256 6.903) 29.489 4.326 ( 1.274 -3.605 0.535) 3.860 4.576 ( 1.730 -25.788 0.912) 25.862 4.959 ( -6.490 -0.374 1.983) 6.796 5.309 ( 4.419 -9.316 1.037) 10.363 5.631 ( -0.013 -7.155 -5.513) 9.033 5.695 ( -4.838 -21.971 0.947) 22.517 6.357 ( 1.048 2.317 1.529) 2.967 6.422 ( 12.717 -3.969 1.952) 13.464 6.784 ( 10.618 0.605 0.571) 10.650 7.555 ( 14.637 -9.004 -1.823) 17.281 8.754 ( -3.683 0.236 1.358) 3.933 9.225 ( 7.650 4.281 -0.736) 8.798 9.714 ( -1.337 -7.996 -0.587) 8.128 10.186 ( -26.057 3.668 -0.108) 26.314 10.826 ( 5.426 -33.080 -0.144) 33.522 11.087 ( -7.331 -3.584 0.214) 8.163 12.706 ( -0.390 -1.578 -5.211) 5.459 12.916 ( -4.359 14.418 -0.690) 15.079 13.697 ( 3.031 -4.173 0.913) 5.238 14.265 ( 5.177 5.567 -0.039) 7.603 15.776 ( -31.318 -31.359 4.628) 44.561 16.565 ( 0.071 1.357 0.990) 1.681 17.133 ( 0.063 12.500 -0.621) 12.516 18.663 ( 6.381 -4.988 -11.350) 13.943 20.722 ( -4.834 -1.805 8.426) 9.880 21.464 ( 5.657 -1.086 2.507) 6.282 23.249 ( 2.640 8.162 -3.573) 9.292 ======================= Grid point 266 (111/267) ======================= q-point: ( 0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 9.963 -3.906 -5.425) 11.998 2.598 ( 11.794 -2.523 0.937) 12.097 2.795 ( 5.030 -10.543 0.966) 11.721 2.932 ( 6.349 -15.348 -0.280) 16.612 3.072 ( -4.472 -12.376 -2.557) 13.406 3.553 ( 1.702 -1.390 0.753) 2.323 3.758 ( -8.782 -14.078 -1.678) 16.677 4.186 ( -2.661 -21.100 -1.635) 21.330 4.385 ( -2.651 -7.171 -2.349) 7.998 4.546 ( -4.747 -14.473 8.935) 17.659 4.936 ( -6.569 -3.917 -0.694) 7.679 5.034 ( -0.383 -18.772 -0.507) 18.783 5.595 ( 9.550 -15.160 1.345) 17.968 5.688 ( 1.112 -2.264 1.113) 2.757 6.120 ( -10.753 -18.351 -2.791) 21.452 6.321 ( 0.802 2.677 0.778) 2.900 6.645 ( 9.740 -11.210 1.644) 14.941 7.026 ( 11.737 -23.306 0.414) 26.098 7.814 ( 13.806 -6.595 -0.986) 15.332 8.779 ( -1.128 -5.705 2.173) 6.209 9.200 ( 7.646 3.816 -1.609) 8.695 9.757 ( -9.903 4.875 -0.564) 11.052 10.029 ( -18.482 -13.443 -0.061) 22.854 10.784 ( -3.950 8.895 0.697) 9.758 11.769 ( 12.621 -35.391 -0.383) 37.576 12.523 ( -5.154 18.628 0.243) 19.329 12.752 ( -10.007 -4.029 -3.365) 11.301 13.945 ( 4.441 -17.188 -0.413) 17.757 14.179 ( 1.911 3.768 0.630) 4.272 16.073 ( -19.090 -16.883 2.798) 25.638 16.528 ( -0.874 2.882 1.611) 3.416 16.972 ( -1.025 1.011 -1.614) 2.163 18.765 ( 2.873 -4.788 -6.885) 8.865 20.735 ( -0.147 0.933 5.243) 5.327 21.545 ( 2.977 -4.162 0.528) 5.144 23.099 ( 2.213 9.620 -0.828) 9.906 ======================= Grid point 267 (112/267) ======================= q-point: ( 0.57 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 3.425 -0.339 -3.318) 4.781 2.666 ( 7.063 2.094 -0.190) 7.369 2.938 ( 3.377 -4.040 -3.081) 6.100 3.110 ( -2.583 -6.476 3.963) 8.020 3.467 ( 7.896 -19.520 -4.802) 21.597 3.597 ( 1.915 -4.961 0.574) 5.349 3.958 ( -5.838 -13.573 -0.605) 14.787 4.389 ( 1.778 -4.981 -4.635) 7.032 4.518 ( -5.412 -8.520 1.423) 10.194 4.802 ( -1.170 -14.802 7.654) 16.705 4.972 ( -5.925 -6.056 -2.514) 8.837 5.298 ( -1.301 -11.289 -0.795) 11.391 5.723 ( 0.011 -1.105 0.351) 1.159 5.940 ( 12.294 -10.745 2.781) 16.563 6.212 ( -10.203 -6.347 -0.408) 12.023 6.284 ( 1.345 1.650 -0.973) 2.341 6.875 ( 4.236 -7.375 1.065) 8.571 7.708 ( 10.885 -32.852 0.571) 34.613 7.950 ( 2.675 -3.462 1.858) 4.753 8.958 ( 1.098 -12.058 -0.093) 12.108 9.201 ( 6.275 1.536 -0.261) 6.465 9.588 ( -8.442 0.165 -1.267) 8.538 10.255 ( -5.488 -15.861 0.276) 16.786 10.649 ( -9.504 -0.140 0.014) 9.505 12.092 ( -0.645 20.231 0.024) 20.242 12.346 ( 14.307 -13.315 -0.159) 19.545 12.783 ( -13.610 -9.160 -0.789) 16.424 13.960 ( 2.757 10.306 -1.660) 10.797 14.539 ( 0.529 -31.650 0.963) 31.669 16.062 ( -7.784 5.139 -0.875) 9.368 16.460 ( -1.233 3.365 2.888) 4.603 17.134 ( -3.401 -18.182 -0.895) 18.519 18.849 ( 1.211 -4.003 -3.542) 5.481 20.687 ( 1.295 5.866 2.856) 6.651 21.660 ( 1.150 -6.600 -0.742) 6.741 22.930 ( 1.790 10.691 0.695) 10.862 ======================= Grid point 268 (113/267) ======================= q-point: ( 0.64 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 1.471 0.272 -2.800) 3.175 2.660 ( 4.552 2.321 1.549) 5.339 3.027 ( 2.147 -4.455 -5.796) 7.619 3.151 ( -1.530 1.095 2.390) 3.042 3.621 ( 2.806 -3.487 0.098) 4.477 3.880 ( 3.069 -12.600 -4.774) 13.820 4.149 ( -3.293 -10.094 3.626) 11.220 4.452 ( 0.928 -3.195 -7.904) 8.576 4.610 ( -1.425 -4.923 4.128) 6.580 5.034 ( -4.242 -8.919 -2.461) 10.179 5.105 ( 0.249 -13.116 4.127) 13.752 5.434 ( -1.282 -5.079 0.138) 5.241 5.727 ( -1.336 -0.013 -0.948) 1.638 6.084 ( 1.172 -0.150 2.168) 2.469 6.262 ( 5.055 0.160 -2.178) 5.507 6.373 ( -2.157 -12.429 2.211) 12.807 6.965 ( 1.075 -0.277 0.598) 1.261 7.854 ( -0.407 7.704 5.295) 9.357 8.387 ( 3.301 -26.903 -0.539) 27.110 9.176 ( 1.164 -11.512 -2.662) 11.873 9.267 ( -0.072 -8.297 1.649) 8.459 9.676 ( 0.504 -10.388 -0.336) 10.406 10.414 ( 9.696 -0.028 -0.919) 9.740 10.633 ( -15.666 -4.128 -0.072) 16.201 11.755 ( -2.383 11.413 -0.166) 11.660 12.622 ( 10.457 -6.985 -0.121) 12.576 12.872 ( -9.225 -9.468 0.765) 13.241 13.774 ( 1.448 10.557 -2.347) 10.911 15.075 ( 1.271 -23.724 1.735) 23.821 15.874 ( -3.782 8.476 -3.671) 9.981 16.434 ( -0.915 -1.408 3.874) 4.222 17.467 ( -1.632 -19.001 -0.465) 19.076 18.911 ( 0.724 -2.528 -1.377) 2.968 20.558 ( 0.574 9.350 1.069) 9.429 21.784 ( 0.050 -6.594 -1.373) 6.736 22.737 ( 1.269 12.140 1.396) 12.286 ======================= Grid point 269 (114/267) ======================= q-point: (-0.29 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 1.794 0.226 -2.877) 3.398 2.677 ( 4.631 0.053 3.662) 5.905 3.062 ( 0.743 5.294 -1.393) 5.525 3.111 ( -1.203 -3.177 -6.453) 7.293 3.710 ( 1.777 -3.859 2.468) 4.914 3.987 ( -1.280 -0.511 -2.328) 2.705 4.227 ( -5.185 -1.104 -0.549) 5.330 4.504 ( -0.212 -3.410 -6.113) 7.003 4.725 ( 3.451 -5.491 5.870) 8.748 5.141 ( -1.788 -6.415 -5.023) 8.342 5.349 ( 0.960 -11.104 3.991) 11.838 5.473 ( -0.848 -0.085 0.547) 1.013 5.707 ( -1.388 0.371 -2.482) 2.868 6.066 ( -2.993 0.870 2.577) 4.044 6.312 ( 3.203 -2.694 -2.950) 5.120 6.570 ( 0.896 -7.642 3.402) 8.413 6.923 ( -0.204 4.636 0.764) 4.703 7.668 ( -2.344 11.254 5.804) 12.877 8.760 ( 1.616 -12.323 -1.806) 12.559 9.429 ( -1.948 -17.167 0.931) 17.302 9.516 ( 2.755 -15.822 -0.094) 16.060 9.824 ( -1.306 -3.664 -0.734) 3.958 10.368 ( 2.691 21.874 0.664) 22.049 10.558 ( -1.029 -10.572 -2.417) 10.893 11.682 ( -0.500 -1.654 0.254) 1.747 12.753 ( 0.980 -2.497 0.007) 2.683 12.989 ( -1.629 -7.304 0.979) 7.547 13.610 ( 0.793 7.472 -2.753) 8.002 15.383 ( 1.099 -8.577 3.352) 9.274 15.721 ( -1.431 4.470 -4.282) 6.353 16.531 ( -0.528 -8.709 2.913) 9.199 17.767 ( 0.087 -14.311 -0.392) 14.317 18.946 ( 1.051 -0.822 0.198) 1.349 20.374 ( -0.484 10.519 -0.352) 10.536 21.893 ( -0.381 -6.026 -1.685) 6.269 22.512 ( 0.445 13.486 1.680) 13.598 ======================= Grid point 270 (115/267) ======================= q-point: (-0.21 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 3.461 0.786 -2.488) 4.334 2.734 ( 4.714 -1.049 4.237) 6.424 2.929 ( -0.025 8.065 -0.167) 8.067 3.150 ( -1.388 -3.361 -10.347) 10.968 3.776 ( -0.869 -0.818 3.873) 4.052 3.912 ( -2.752 5.110 1.307) 5.949 4.156 ( -4.555 3.275 -5.300) 7.718 4.515 ( -2.146 0.512 -5.083) 5.541 4.842 ( 2.099 -2.459 8.190) 8.805 5.203 ( 2.855 -0.795 -4.565) 5.443 5.428 ( -0.302 4.203 0.120) 4.216 5.528 ( -0.214 -7.193 2.258) 7.542 5.691 ( 0.755 0.320 -3.222) 3.325 6.038 ( -3.095 0.078 2.185) 3.789 6.377 ( -1.566 -3.961 -1.652) 4.568 6.625 ( 1.339 5.541 2.769) 6.337 6.845 ( -0.437 1.651 1.389) 2.201 7.494 ( 1.685 7.973 5.336) 9.740 8.873 ( -1.167 -0.982 -2.683) 3.086 9.582 ( -2.264 8.789 -0.013) 9.076 9.779 ( 0.854 -11.330 1.765) 11.498 9.859 ( -0.954 19.685 -0.148) 19.709 9.995 ( 1.111 -13.857 -1.748) 14.011 10.899 ( -1.445 -24.944 -1.369) 25.024 11.677 ( 6.104 6.662 0.744) 9.066 12.723 ( -2.863 5.042 -0.148) 5.800 13.099 ( 1.353 -4.411 0.509) 4.642 13.501 ( 0.460 4.652 -2.394) 5.252 15.448 ( -0.841 0.057 0.299) 0.894 15.698 ( 1.276 -2.110 0.140) 2.470 16.719 ( -0.836 -10.704 1.669) 10.865 17.975 ( -0.577 -8.540 -1.008) 8.619 18.961 ( 2.349 0.542 1.978) 3.118 20.183 ( -0.476 9.450 -1.711) 9.616 22.000 ( 0.069 -6.513 -1.789) 6.754 22.271 ( -0.039 13.245 1.864) 13.376 ======================= Grid point 271 (116/267) ======================= q-point: (-0.14 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 4.604 3.609 -1.860) 6.139 2.719 ( 1.600 8.642 -2.139) 9.045 2.841 ( 2.927 0.902 5.246) 6.074 3.162 ( -0.725 -1.371 -12.087) 12.186 3.667 ( -5.104 9.013 5.325) 11.647 3.865 ( -1.203 1.140 0.601) 1.763 4.046 ( -3.560 3.089 -4.102) 6.249 4.420 ( -2.690 6.882 -4.440) 8.620 4.876 ( -1.257 0.663 8.627) 8.743 5.185 ( 6.813 5.806 -1.528) 9.081 5.329 ( 0.611 6.283 -1.048) 6.399 5.598 ( 0.619 0.093 -3.310) 3.369 5.713 ( 2.088 -2.267 0.918) 3.216 6.023 ( -3.053 -0.067 1.478) 3.393 6.382 ( -5.009 6.429 0.699) 8.180 6.462 ( 0.316 5.563 0.727) 5.619 6.849 ( 1.297 0.327 1.832) 2.268 7.424 ( 5.696 4.838 3.811) 8.388 8.754 ( -4.917 12.261 -1.503) 13.296 9.284 ( 2.592 23.126 -1.915) 23.349 9.374 ( 0.640 18.258 -0.066) 18.270 10.078 ( -9.381 -16.670 -0.749) 19.143 10.346 ( 0.828 -18.478 0.547) 18.505 11.312 ( -5.846 -14.013 -0.067) 15.184 11.566 ( 14.864 5.287 0.031) 15.776 12.521 ( -4.096 14.279 -0.362) 14.860 13.174 ( 2.452 -2.488 0.073) 3.494 13.438 ( 0.737 1.684 -1.919) 2.657 15.432 ( -0.112 0.360 -5.262) 5.275 15.787 ( -0.387 -6.387 5.985) 8.762 16.880 ( -3.861 -7.854 1.044) 8.814 18.048 ( -4.198 -1.457 -2.348) 5.025 18.979 ( 4.404 0.838 4.115) 6.085 20.028 ( 1.840 7.394 -3.147) 8.244 22.047 ( -2.195 9.221 1.386) 9.580 22.140 ( 4.339 -6.370 -0.974) 7.769 ======================= Grid point 272 (117/267) ======================= q-point: (-0.07 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 3.977 8.799 -1.412) 9.759 2.508 ( 2.477 15.029 -3.167) 15.558 2.859 ( 2.708 1.720 3.531) 4.770 3.114 ( 2.912 5.252 -13.050) 14.365 3.496 ( -3.946 6.041 4.952) 8.752 3.772 ( -6.679 5.097 -2.146) 8.671 4.020 ( 0.458 -1.182 1.503) 1.966 4.223 ( -1.060 11.633 -0.111) 11.682 4.850 ( -0.964 2.683 4.489) 5.318 5.095 ( 4.696 8.744 2.555) 10.249 5.221 ( 3.745 6.533 -1.188) 7.623 5.538 ( 2.574 6.424 -6.823) 9.719 5.762 ( -0.211 0.010 2.428) 2.437 5.964 ( -3.757 5.883 1.141) 7.073 6.165 ( 6.883 11.495 1.797) 13.518 6.390 ( -11.695 2.361 0.399) 11.938 6.866 ( 2.130 -0.776 1.165) 2.549 7.369 ( 9.784 9.186 1.916) 13.556 8.340 ( -8.690 26.363 -0.455) 27.762 8.909 ( 3.414 17.471 0.507) 17.808 9.163 ( 0.275 7.651 -3.281) 8.330 10.221 ( -12.615 -7.170 -1.649) 14.604 10.626 ( -5.150 -12.904 1.678) 13.995 11.176 ( 17.233 18.567 0.874) 25.347 11.811 ( -3.217 -6.256 -0.736) 7.073 12.233 ( -3.070 4.248 -1.168) 5.370 13.222 ( 1.389 -1.115 -0.021) 1.781 13.472 ( 3.729 -4.462 -1.749) 6.072 15.381 ( -2.802 3.840 -10.884) 11.877 15.953 ( -2.931 -11.228 10.648) 15.749 16.933 ( -9.723 -3.116 0.282) 10.214 17.952 ( -8.170 6.176 -1.977) 10.430 19.004 ( 4.034 1.537 3.696) 5.683 19.935 ( 8.478 5.842 -3.548) 10.890 21.887 ( -2.121 6.582 1.366) 7.049 22.325 ( 7.424 -9.008 -0.635) 11.690 ======================= Grid point 278 (118/267) ======================= q-point: ( 0.36 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -3.284 -0.000 -0.128) 3.287 1.739 ( 27.147 0.000 -6.147) 27.834 1.759 ( 6.990 0.000 4.398) 8.258 2.512 ( 4.439 0.000 -2.754) 5.223 2.581 ( 7.875 0.000 -7.022) 10.551 2.803 ( 2.194 0.000 -1.242) 2.521 3.129 ( -1.907 -0.000 2.132) 2.860 3.510 ( -5.191 -0.000 0.557) 5.221 3.604 ( -2.597 -0.000 0.349) 2.621 4.165 ( -6.180 -0.000 8.525) 10.529 4.290 ( 1.090 0.000 0.091) 1.094 4.979 ( -6.930 -0.000 2.248) 7.286 5.142 ( 0.272 0.000 0.055) 0.278 5.215 ( -9.687 -0.000 -5.612) 11.195 5.696 ( 2.725 0.000 2.057) 3.415 6.359 ( 12.288 0.000 -0.449) 12.296 6.420 ( 5.453 0.000 4.338) 6.969 6.896 ( 3.436 0.000 -0.000) 3.436 7.320 ( 23.288 0.000 -1.945) 23.369 8.788 ( -7.159 -0.000 -1.529) 7.320 9.331 ( 7.079 0.000 1.041) 7.155 9.506 ( -5.380 -0.000 0.048) 5.380 9.579 ( 0.283 0.000 -0.331) 0.436 10.399 ( -29.542 -0.000 0.358) 29.544 11.330 ( 0.396 0.000 0.369) 0.541 12.739 ( 22.462 0.000 -7.133) 23.567 13.216 ( -5.238 -0.000 0.423) 5.255 13.851 ( 0.568 0.000 -0.072) 0.572 14.287 ( 3.405 0.000 -0.428) 3.432 14.946 ( -42.028 -0.000 4.978) 42.322 16.575 ( -0.065 -0.000 0.129) 0.144 17.435 ( 0.013 0.000 -0.080) 0.081 18.555 ( 11.611 0.000 -13.455) 17.772 20.650 ( -13.274 -0.000 9.377) 16.252 21.474 ( 7.980 0.000 5.966) 9.963 23.417 ( 2.233 0.000 -5.771) 6.187 ======================= Grid point 279 (119/267) ======================= q-point: ( 0.43 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 17.947 -7.968 -4.958) 20.252 1.995 ( 12.287 -22.548 1.782) 25.740 2.134 ( 0.642 -39.683 3.744) 39.864 2.563 ( 5.004 0.328 -4.555) 6.774 2.685 ( 2.937 -16.203 -0.881) 16.491 3.037 ( -7.274 -9.319 -1.523) 11.920 3.286 ( 0.481 -21.856 -4.716) 22.364 3.518 ( -2.186 -6.337 -0.274) 6.709 3.696 ( -5.126 -14.442 3.965) 15.830 4.228 ( -4.235 -9.752 8.404) 13.552 4.312 ( 1.044 -2.591 -0.107) 2.796 4.927 ( -5.501 0.814 2.235) 5.993 5.189 ( 0.726 -5.739 -0.106) 5.786 5.244 ( -7.028 -11.403 -6.559) 14.915 5.696 ( 2.190 1.646 3.759) 4.651 6.384 ( -0.211 0.480 -0.266) 0.588 6.498 ( 12.141 0.829 2.114) 12.352 6.888 ( 4.862 2.850 0.199) 5.639 7.557 ( 24.821 -5.270 -2.545) 25.502 8.711 ( -9.793 0.178 -0.955) 9.841 9.343 ( 5.902 2.758 0.755) 6.559 9.604 ( -1.109 -2.871 0.526) 3.122 9.871 ( -3.217 -34.990 -0.140) 35.138 10.182 ( -24.360 -2.904 0.182) 24.533 11.237 ( -0.694 9.770 -0.058) 9.794 12.818 ( 16.656 7.210 -5.700) 19.024 13.103 ( -3.951 8.637 0.408) 9.507 13.735 ( -0.484 5.960 1.157) 6.090 14.360 ( 4.509 -0.135 -0.215) 4.516 14.952 ( -34.893 -29.720 2.488) 45.902 16.577 ( 0.044 -0.086 0.443) 0.453 17.345 ( 0.033 9.304 -0.255) 9.308 18.629 ( 8.659 -2.275 -10.441) 13.754 20.618 ( -9.316 -4.032 6.971) 12.314 21.523 ( 5.072 1.147 4.431) 6.832 23.379 ( 2.367 4.750 -2.834) 6.016 ======================= Grid point 280 (120/267) ======================= q-point: ( 0.50 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 15.167 -3.516 -3.703) 16.004 2.482 ( 3.219 -22.823 3.884) 23.374 2.605 ( 2.960 -9.181 -0.026) 9.646 2.680 ( 7.846 -12.626 -4.299) 15.474 2.966 ( 0.919 -1.034 -1.130) 1.786 3.324 ( -10.332 -30.027 3.157) 31.911 3.504 ( -1.298 -8.282 -3.661) 9.148 3.712 ( -0.949 -17.992 -3.833) 18.420 4.103 ( -8.485 -25.493 6.530) 27.650 4.330 ( -0.576 -4.102 -0.587) 4.183 4.616 ( 2.149 -24.581 3.448) 24.915 4.890 ( -3.922 -0.346 2.110) 4.467 5.373 ( 3.216 -12.938 0.735) 13.352 5.524 ( -5.191 -24.681 -8.235) 26.531 5.723 ( 2.144 -3.549 5.748) 7.087 6.362 ( -0.540 1.474 0.112) 1.574 6.587 ( 8.227 -3.138 0.501) 8.819 6.890 ( 3.167 -1.540 0.424) 3.547 7.831 ( 22.079 -5.308 -2.141) 22.809 8.665 ( -9.315 -3.877 -0.118) 10.091 9.331 ( 7.528 3.785 0.013) 8.426 9.677 ( -4.800 -8.032 0.920) 9.402 9.835 ( -18.416 8.180 0.223) 20.152 10.889 ( 3.008 -52.084 -0.453) 52.173 11.006 ( -3.654 7.771 -0.090) 8.588 12.722 ( 4.420 8.820 -3.478) 10.460 12.853 ( -3.878 15.196 -0.062) 15.683 13.756 ( 3.880 -6.298 2.013) 7.666 14.313 ( 1.327 6.373 0.100) 6.511 15.393 ( -21.009 -36.861 0.031) 42.427 16.572 ( 0.135 1.279 1.160) 1.732 17.130 ( 0.014 12.744 -1.087) 12.791 18.710 ( 5.605 -2.968 -6.984) 9.434 20.678 ( -4.421 -5.666 5.297) 8.928 21.538 ( 2.449 0.410 1.565) 2.935 23.275 ( 2.164 7.964 -0.344) 8.260 ======================= Grid point 281 (121/267) ======================= q-point: ( 0.57 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 6.067 0.962 -2.039) 6.472 2.717 ( 5.019 -2.353 -1.863) 5.848 2.869 ( 1.624 -14.805 3.479) 15.295 2.938 ( -3.740 -0.827 -2.124) 4.379 3.083 ( 6.466 -24.225 -2.489) 25.197 3.571 ( 0.291 -2.341 1.920) 3.042 3.630 ( -6.517 -14.698 -2.994) 16.354 4.164 ( 1.454 -23.126 -1.400) 23.214 4.335 ( -2.562 -6.059 -3.268) 7.346 4.520 ( -4.257 -17.072 8.421) 19.507 4.866 ( -2.417 -2.454 -0.794) 3.534 5.037 ( 0.807 -16.347 -0.095) 16.367 5.697 ( -0.639 -11.138 2.431) 11.418 5.720 ( 5.337 -10.637 0.486) 11.911 5.999 ( -3.597 -14.916 -1.492) 15.416 6.327 ( -0.149 1.825 -0.138) 1.837 6.747 ( 3.012 -8.531 0.496) 9.061 7.138 ( 3.639 -26.903 0.297) 27.150 8.000 ( 8.944 0.116 0.552) 8.962 8.748 ( -3.478 -10.432 -0.605) 11.013 9.330 ( 11.537 4.066 -0.677) 12.251 9.564 ( -14.453 6.352 -0.285) 15.790 9.862 ( -4.518 -16.627 1.116) 17.266 10.742 ( -1.963 11.357 0.377) 11.532 11.907 ( 5.396 -45.312 -0.467) 45.635 12.482 ( -0.828 20.769 0.221) 20.787 12.628 ( -4.064 2.809 -2.313) 5.455 14.023 ( 5.062 -18.083 1.685) 18.853 14.179 ( -1.865 6.372 0.061) 6.639 15.852 ( -10.187 -22.554 -1.526) 24.795 16.531 ( -0.095 3.506 2.185) 4.132 16.957 ( -0.087 2.660 -1.874) 3.255 18.790 ( 3.796 -3.404 -3.992) 6.476 20.739 ( -1.667 -1.268 3.885) 4.413 21.571 ( 0.388 -3.213 -0.598) 3.291 23.128 ( 1.755 9.646 1.092) 9.865 ======================= Grid point 282 (122/267) ======================= q-point: (-0.36 -0.64 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 2.733 1.522 -1.657) 3.540 2.740 ( 2.955 2.128 0.600) 3.691 2.941 ( -0.767 -3.516 -4.943) 6.114 3.094 ( -1.977 -7.588 4.297) 8.942 3.549 ( 5.480 -16.683 -4.196) 18.054 3.624 ( 1.000 -7.233 1.358) 7.427 3.859 ( -6.607 -16.160 -1.346) 17.510 4.365 ( -1.775 -3.359 -7.861) 8.731 4.492 ( 1.346 -9.973 2.723) 10.426 4.822 ( -0.720 -14.724 7.822) 16.688 4.918 ( 0.205 -6.302 -1.693) 6.529 5.282 ( -0.276 -10.740 -1.556) 10.855 5.724 ( -0.359 0.288 0.773) 0.900 6.061 ( -10.230 -9.132 0.566) 13.725 6.116 ( 10.052 -9.639 1.813) 14.044 6.299 ( 1.055 1.341 -1.112) 2.037 6.903 ( -0.705 -6.819 0.571) 6.879 7.796 ( -0.556 -37.513 -0.044) 37.517 7.981 ( 0.392 4.588 3.873) 6.017 8.944 ( -2.263 -12.764 -2.001) 13.117 9.274 ( 2.014 6.329 1.040) 6.723 9.517 ( 0.909 -6.510 -1.481) 6.738 10.220 ( 1.114 -22.276 1.023) 22.327 10.570 ( -1.061 6.290 -0.336) 6.388 12.078 ( -0.221 22.013 -0.149) 22.015 12.545 ( -2.019 -22.362 0.266) 22.454 12.596 ( 2.619 -1.987 -1.005) 3.438 13.975 ( 0.036 10.965 -1.605) 11.082 14.563 ( 1.721 -31.726 2.283) 31.855 15.960 ( -3.873 2.807 -3.624) 6.001 16.472 ( 0.632 3.320 3.559) 4.908 17.103 ( -0.220 -17.524 -1.363) 17.579 18.868 ( 2.896 -3.057 -2.083) 4.698 20.697 ( -1.396 5.317 2.357) 5.981 21.658 ( -0.757 -6.377 -1.443) 6.582 22.956 ( 1.122 10.829 1.637) 11.010 ======================= Grid point 283 (123/267) ======================= q-point: (-0.29 -0.64 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 2.184 0.817 -2.271) 3.255 2.731 ( 3.405 1.277 3.906) 5.337 2.996 ( -2.232 -4.609 -7.714) 9.259 3.142 ( -1.263 1.366 2.157) 2.849 3.665 ( 2.204 -3.398 2.625) 4.826 3.872 ( -0.221 -10.001 -6.921) 12.164 4.094 ( -5.808 -11.596 4.088) 13.598 4.378 ( -5.592 -4.486 -10.284) 12.535 4.653 ( 3.509 -5.856 5.684) 8.883 5.000 ( 2.073 -7.684 -3.091) 8.537 5.153 ( 3.227 -13.059 4.605) 14.218 5.426 ( 0.390 -5.487 -0.319) 5.510 5.702 ( -1.454 0.974 -1.155) 2.097 6.048 ( -5.856 -0.531 0.958) 5.957 6.280 ( -1.241 -1.024 -1.129) 1.966 6.416 ( 4.857 -11.078 2.542) 12.360 6.963 ( -1.729 -0.451 0.544) 1.868 7.851 ( -2.943 7.790 5.143) 9.788 8.399 ( -1.592 -26.794 -0.187) 26.842 9.170 ( -0.684 -14.125 -2.801) 14.417 9.266 ( -0.720 -6.281 1.631) 6.529 9.690 ( 1.913 -9.820 0.010) 10.004 10.439 ( -9.274 0.474 -0.622) 9.307 10.611 ( 15.993 -4.870 -0.352) 16.721 11.749 ( 1.747 11.549 -0.306) 11.684 12.628 ( -10.117 -7.404 0.002) 12.536 12.864 ( 8.455 -8.814 0.659) 12.232 13.768 ( -0.792 10.367 -2.438) 10.679 15.116 ( 2.910 -23.948 2.765) 24.282 15.807 ( -2.579 7.874 -4.781) 9.567 16.457 ( 1.632 -0.696 3.870) 4.257 17.462 ( 1.275 -19.357 -0.577) 19.407 18.931 ( 2.491 -2.026 -0.995) 3.362 20.550 ( -2.144 9.300 0.939) 9.590 21.770 ( -0.977 -6.694 -1.608) 6.953 22.754 ( 0.044 12.394 1.686) 12.508 ======================= Grid point 284 (124/267) ======================= q-point: (-0.21 -0.64 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 3.096 -0.244 -2.661) 4.090 2.764 ( 4.270 -0.482 5.594) 7.054 3.033 ( -3.704 -3.794 -10.518) 11.779 3.062 ( -0.953 5.730 0.797) 5.863 3.746 ( 0.833 -2.949 4.253) 5.242 3.934 ( -4.098 -0.250 -3.201) 5.206 4.154 ( -2.616 -0.209 -3.623) 4.474 4.422 ( -7.039 -6.043 -4.868) 10.477 4.790 ( 0.587 -5.413 7.525) 9.288 5.153 ( 5.862 -6.232 -4.645) 9.736 5.392 ( 3.097 -9.451 2.766) 10.323 5.484 ( 2.038 0.536 1.131) 2.392 5.680 ( -0.691 -0.520 -2.995) 3.117 6.014 ( -5.324 -0.111 1.405) 5.508 6.296 ( -3.288 -2.597 -0.788) 4.263 6.608 ( 1.879 -6.601 2.839) 7.427 6.910 ( -2.152 4.202 0.790) 4.787 7.697 ( 2.745 9.453 5.019) 11.049 8.729 ( -4.807 -12.482 -1.293) 13.438 9.398 ( -1.873 -12.270 0.620) 12.428 9.535 ( -1.095 -21.669 -0.863) 21.714 9.834 ( 3.139 -1.736 0.273) 3.598 10.292 ( -8.158 10.975 -0.259) 13.677 10.660 ( 11.244 3.477 -1.776) 11.902 11.742 ( 8.071 -3.525 0.199) 8.809 12.678 ( -9.485 -4.918 0.350) 10.690 13.042 ( 6.457 -4.963 0.583) 8.165 13.595 ( -1.073 6.937 -2.659) 7.506 15.425 ( 2.216 -6.063 4.475) 7.855 15.681 ( -1.154 1.410 -5.342) 5.644 16.554 ( 1.832 -7.295 2.922) 8.069 17.776 ( 1.400 -13.587 -0.255) 13.661 18.975 ( 2.545 -1.042 -0.080) 2.751 20.353 ( -2.141 10.122 -0.260) 10.350 21.879 ( -0.403 -6.392 -1.603) 6.602 22.516 ( -1.029 13.490 1.599) 13.623 ======================= Grid point 285 (125/267) ======================= q-point: (-0.14 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 3.665 0.101 -2.739) 4.576 2.810 ( 2.265 0.872 2.573) 3.537 2.939 ( 1.773 6.224 1.075) 6.560 3.057 ( -4.337 -4.362 -10.150) 11.869 3.760 ( -3.554 3.555 4.120) 6.499 3.877 ( -1.518 0.386 -0.358) 1.607 4.093 ( -0.783 4.291 -6.149) 7.539 4.433 ( -5.630 -0.816 -3.259) 6.556 4.870 ( -2.898 -2.154 9.162) 9.847 5.268 ( 7.208 -1.747 -4.772) 8.819 5.441 ( 1.734 5.356 0.844) 5.693 5.542 ( 0.720 -4.755 2.116) 5.255 5.712 ( 4.434 -2.078 -3.566) 6.058 5.986 ( -5.345 -0.789 1.647) 5.649 6.307 ( -6.180 -2.040 0.593) 6.535 6.660 ( 1.533 4.766 2.069) 5.417 6.836 ( -1.539 0.290 1.355) 2.071 7.593 ( 7.945 7.320 4.104) 11.556 8.804 ( -6.493 -1.160 -2.075) 6.915 9.524 ( -4.570 0.805 0.695) 4.692 9.815 ( 0.887 7.713 -0.808) 7.806 9.844 ( 0.845 5.725 -0.720) 5.831 10.004 ( 0.961 -9.933 -0.213) 9.982 10.851 ( -3.440 -20.143 -1.216) 20.471 11.839 ( 14.251 4.052 0.577) 14.827 12.637 ( -8.339 2.977 0.237) 8.858 13.152 ( 5.184 -2.791 0.019) 5.888 13.487 ( -1.004 3.850 -2.022) 4.463 15.442 ( -0.132 1.876 0.463) 1.937 15.716 ( 1.046 -3.702 -0.085) 3.848 16.718 ( -0.305 -8.163 1.911) 8.389 17.958 ( -0.967 -6.069 -0.800) 6.197 19.011 ( 3.011 -0.668 1.104) 3.276 20.172 ( -0.036 8.147 -1.221) 8.238 21.995 ( 0.339 -6.551 -1.617) 6.756 22.276 ( -0.417 11.783 1.620) 11.901 ======================= Grid point 286 (126/267) ======================= q-point: (-0.07 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 2.556 3.361 -2.950) 5.150 2.716 ( -0.251 8.283 -4.666) 9.510 2.909 ( 2.489 1.534 3.596) 4.634 3.097 ( -0.513 -4.087 -8.310) 9.275 3.625 ( -2.217 7.705 2.769) 8.483 3.857 ( 0.669 5.440 -0.901) 5.555 3.999 ( -1.461 0.942 -2.090) 2.719 4.356 ( -3.307 4.812 -1.687) 6.078 4.875 ( -3.747 0.611 8.662) 9.458 5.282 ( 5.400 5.938 0.433) 8.038 5.341 ( 2.326 5.316 -3.000) 6.532 5.602 ( 1.663 -1.019 -2.678) 3.313 5.772 ( 5.122 -0.042 0.372) 5.136 5.959 ( -6.904 -0.021 1.462) 7.057 6.272 ( -7.713 0.447 1.508) 7.872 6.524 ( 5.895 11.111 1.772) 12.702 6.849 ( -2.365 -1.177 1.230) 2.914 7.556 ( 9.472 5.145 2.647) 11.100 8.651 ( -7.421 12.860 -1.414) 14.914 9.315 ( 2.641 17.812 -2.238) 18.145 9.392 ( 1.703 21.747 1.178) 21.845 9.944 ( -7.397 -10.759 -2.420) 13.279 10.332 ( -2.833 -17.071 0.708) 17.319 11.223 ( -6.494 -21.404 -0.413) 22.371 11.809 ( 17.518 10.124 0.327) 20.235 12.431 ( -7.970 12.984 0.133) 15.236 13.225 ( 4.023 -1.092 -0.025) 4.169 13.439 ( 0.605 -0.247 -1.769) 1.886 15.406 ( -0.438 2.126 -4.575) 5.064 15.806 ( -0.509 -5.791 5.336) 7.891 16.815 ( -5.579 -3.787 1.270) 6.861 17.973 ( -4.818 1.808 -1.196) 5.283 19.045 ( 2.609 -0.152 1.418) 2.974 20.070 ( 5.106 4.445 -1.402) 6.914 22.000 ( -3.623 6.578 -0.348) 7.518 22.227 ( 6.614 -6.073 0.309) 8.985 ======================= Grid point 293 (127/267) ======================= q-point: ( 0.43 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -2.426 -0.000 0.676) 2.518 1.853 ( 3.127 0.000 2.784) 4.187 2.125 ( 26.638 0.000 -0.840) 26.652 2.557 ( 2.748 0.000 -1.278) 3.030 2.621 ( 1.174 0.000 -4.656) 4.802 2.829 ( 2.517 0.000 -2.407) 3.483 3.087 ( -3.856 -0.000 0.348) 3.872 3.447 ( -3.647 -0.000 1.160) 3.827 3.551 ( -4.368 -0.000 -3.103) 5.358 4.124 ( -4.849 -0.000 10.043) 11.152 4.301 ( 0.495 0.000 -0.090) 0.503 4.906 ( -4.083 -0.000 2.170) 4.624 5.074 ( -5.862 -0.000 -6.657) 8.870 5.145 ( 0.096 0.000 -0.046) 0.107 5.738 ( 1.566 0.000 5.445) 5.665 6.382 ( -0.862 -0.000 -1.166) 1.450 6.593 ( 7.932 0.000 1.375) 8.050 6.937 ( 2.014 0.000 0.044) 2.015 7.716 ( 30.720 0.000 -3.384) 30.905 8.610 ( -16.684 -0.000 -2.640) 16.892 9.419 ( 4.595 0.000 1.802) 4.936 9.443 ( -3.074 -0.000 0.061) 3.074 9.583 ( -0.698 -0.000 2.090) 2.203 10.036 ( -18.092 -0.000 0.402) 18.096 11.329 ( -0.290 -0.000 -0.855) 0.903 13.076 ( 25.730 0.000 -4.762) 26.167 13.162 ( -0.864 -0.000 0.085) 0.868 13.857 ( 0.298 0.000 -0.135) 0.327 14.190 ( -24.967 -0.000 1.057) 24.989 14.493 ( -12.694 -0.000 1.274) 12.758 16.575 ( 0.009 0.000 0.291) 0.291 17.434 ( -0.034 -0.000 -0.188) 0.191 18.654 ( 8.868 0.000 -8.897) 12.562 20.521 ( -8.462 -0.000 5.999) 10.372 21.572 ( 2.196 0.000 3.846) 4.428 23.437 ( 2.598 0.000 -1.138) 2.837 ======================= Grid point 294 (128/267) ======================= q-point: ( 0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 1.519 -32.678 -2.347) 32.798 2.106 ( -0.408 -24.090 3.252) 24.312 2.357 ( 21.380 -13.624 2.237) 25.450 2.581 ( -0.845 -3.178 -3.298) 4.657 2.700 ( -1.213 -12.914 0.663) 12.987 2.948 ( -2.274 -4.440 -0.621) 5.027 3.273 ( 1.274 -17.087 -6.857) 18.456 3.484 ( -2.424 -9.777 -0.864) 10.110 3.627 ( -5.629 -14.272 1.904) 15.459 4.219 ( -2.231 -11.341 9.663) 15.066 4.319 ( 0.048 -3.510 -0.155) 3.514 4.878 ( -2.442 0.694 2.073) 3.278 5.126 ( -3.770 -11.459 -8.048) 14.501 5.207 ( 0.869 -6.946 0.043) 7.001 5.752 ( 2.375 1.003 6.831) 7.302 6.368 ( -1.373 0.306 -1.298) 1.914 6.618 ( 3.544 1.040 0.047) 3.694 6.925 ( 0.783 2.216 0.145) 2.355 7.937 ( 23.656 -1.482 -3.371) 23.941 8.496 ( -16.285 -3.263 -2.604) 16.811 9.424 ( 5.223 0.850 1.935) 5.635 9.571 ( -4.498 -0.543 2.569) 5.208 9.832 ( -2.323 -15.477 0.260) 15.652 9.948 ( -6.305 -23.393 -0.184) 24.229 11.225 ( -0.734 10.360 -0.870) 10.422 13.031 ( 13.562 18.441 -4.210) 23.275 13.059 ( -2.520 9.453 0.296) 9.787 13.733 ( -0.728 0.910 2.706) 2.947 14.404 ( 1.571 0.428 0.021) 1.628 14.542 ( -19.102 -36.454 -1.290) 41.176 16.581 ( 0.083 -0.277 0.594) 0.661 17.342 ( -0.101 9.414 -0.514) 9.429 18.708 ( 7.382 -1.010 -6.855) 10.125 20.537 ( -5.415 -5.763 5.160) 9.443 21.572 ( -0.127 1.299 2.047) 2.427 23.411 ( 2.683 4.823 0.503) 5.542 ======================= Grid point 295 (129/267) ======================= q-point: (-0.43 -0.57 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 6.226 -0.807 -1.695) 6.503 2.474 ( -4.468 -22.901 1.661) 23.392 2.632 ( -0.136 -9.114 -0.182) 9.117 2.766 ( 4.731 -11.732 -2.931) 12.985 2.954 ( -2.077 -0.243 -2.930) 3.600 3.260 ( 0.343 -28.162 5.040) 28.612 3.484 ( 0.259 -10.723 -2.314) 10.973 3.700 ( 1.930 -19.804 -4.891) 20.490 4.026 ( -4.942 -26.000 6.071) 27.153 4.308 ( -1.286 -2.904 -2.583) 4.094 4.667 ( 1.975 -23.487 6.284) 24.393 4.866 ( -0.542 -0.662 2.037) 2.209 5.359 ( -4.761 -17.386 -3.365) 18.337 5.480 ( 3.638 -23.067 -4.694) 23.819 5.787 ( 2.657 -2.014 6.871) 7.637 6.344 ( -1.539 0.837 -0.812) 1.931 6.643 ( -1.388 -3.403 -0.561) 3.717 6.910 ( 0.386 -2.457 0.383) 2.516 8.040 ( -0.374 -0.784 -1.806) 2.004 8.537 ( -1.067 -8.578 -2.051) 8.884 9.463 ( 8.306 1.832 0.191) 8.508 9.543 ( -6.978 -1.034 2.674) 7.544 9.739 ( 0.868 4.387 0.401) 4.490 10.904 ( -0.617 -57.986 -0.703) 57.993 10.982 ( 0.403 11.693 -0.099) 11.701 12.759 ( -0.299 12.695 -2.947) 13.036 12.829 ( 2.868 16.113 0.458) 16.373 13.810 ( 1.052 -7.553 3.313) 8.314 14.312 ( -0.861 6.869 -0.276) 6.928 15.197 ( -4.063 -39.467 -2.797) 39.774 16.578 ( 0.036 1.146 1.343) 1.766 17.124 ( -0.205 12.833 -1.411) 12.911 18.769 ( 5.889 -1.808 -4.684) 7.739 20.645 ( -3.043 -7.148 4.420) 8.937 21.546 ( -1.618 0.552 0.242) 1.727 23.311 ( 2.321 8.289 1.444) 8.728 ======================= Grid point 296 (130/267) ======================= q-point: (-0.36 -0.57 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 2.135 2.564 -0.884) 3.452 2.733 ( -2.202 -4.157 -0.986) 4.806 2.804 ( -6.841 -14.119 0.335) 15.693 2.944 ( 2.489 -2.601 -1.979) 4.109 3.138 ( 1.014 -24.896 -0.117) 24.917 3.552 ( -2.000 -11.161 -4.074) 12.049 3.586 ( 0.336 -3.738 2.237) 4.369 4.221 ( 5.881 -24.155 -0.339) 24.863 4.284 ( -1.585 -2.997 -4.696) 5.793 4.509 ( -1.003 -20.953 7.590) 22.308 4.858 ( 1.533 -1.535 -0.303) 2.190 5.054 ( 1.288 -14.029 0.410) 14.094 5.643 ( -6.955 -14.800 0.007) 16.353 5.781 ( 2.415 -6.768 2.810) 7.716 6.017 ( 5.971 -15.007 -1.103) 16.189 6.316 ( -1.082 0.798 -0.339) 1.387 6.727 ( -5.798 -9.167 0.048) 10.847 7.146 ( -2.878 -26.509 0.490) 26.669 8.005 ( -9.251 -0.700 0.556) 9.294 8.708 ( -0.074 -9.755 -1.152) 9.823 9.386 ( -9.513 4.386 0.310) 10.480 9.545 ( 17.466 5.486 -0.719) 18.322 9.876 ( 5.244 -16.541 1.386) 17.407 10.733 ( 0.574 11.388 0.198) 11.404 11.905 ( -5.368 -44.751 -0.522) 45.075 12.474 ( 0.106 19.559 -0.074) 19.559 12.653 ( 8.135 4.338 -1.654) 9.367 14.063 ( -3.034 -19.171 2.608) 19.584 14.161 ( 1.522 7.100 -0.400) 7.272 15.785 ( 2.699 -22.483 -2.809) 22.818 16.541 ( -0.033 3.027 2.343) 3.828 16.950 ( 0.309 2.543 -2.068) 3.292 18.839 ( 4.745 -2.468 -3.162) 6.213 20.723 ( -2.810 -1.703 3.681) 4.934 21.553 ( -2.123 -3.332 -0.929) 4.058 23.159 ( 1.377 10.114 1.657) 10.341 ======================= Grid point 297 (131/267) ======================= q-point: (-0.29 -0.57 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 1.048 1.699 -1.703) 2.623 2.761 ( -0.837 -0.973 2.396) 2.718 2.882 ( -3.533 -3.745 -5.179) 7.303 3.088 ( -0.933 -6.978 2.142) 7.359 3.584 ( 0.886 -19.171 -1.871) 19.283 3.634 ( -0.397 -5.477 1.306) 5.645 3.764 ( -5.179 -14.635 -1.566) 15.603 4.272 ( -4.966 -0.708 -9.111) 10.401 4.576 ( 6.909 -9.917 4.394) 12.860 4.856 ( 2.039 -11.761 4.033) 12.599 4.961 ( 5.599 -10.368 1.005) 11.827 5.276 ( 0.637 -10.488 -2.075) 10.710 5.707 ( -3.036 -0.132 0.302) 3.054 5.925 ( -8.264 -7.175 1.894) 11.107 6.244 ( 5.490 -4.469 0.517) 7.097 6.312 ( 2.602 -3.335 -0.521) 4.262 6.860 ( -5.729 -8.346 0.765) 10.152 7.701 ( -11.051 -30.682 0.575) 32.616 7.979 ( -3.378 -5.651 2.321) 6.980 8.889 ( -3.441 -12.545 -1.369) 13.081 9.259 ( -3.534 2.894 0.929) 4.661 9.607 ( 10.810 -1.313 -0.983) 10.934 10.287 ( 6.104 -16.648 0.891) 17.754 10.619 ( 8.124 0.811 -0.611) 8.187 12.084 ( 0.051 19.909 -0.169) 19.909 12.345 ( -13.568 -13.334 -0.180) 19.024 12.795 ( 14.282 -7.827 -0.447) 16.292 13.946 ( -2.781 10.471 -1.907) 11.001 14.606 ( 2.660 -32.461 2.230) 32.646 15.931 ( 1.867 5.401 -2.719) 6.328 16.506 ( 2.089 2.226 3.084) 4.340 17.115 ( 2.801 -18.190 -1.327) 18.452 18.909 ( 3.650 -2.370 -2.456) 4.997 20.668 ( -4.063 5.369 2.574) 7.208 21.632 ( -1.611 -6.723 -1.233) 7.022 22.972 ( -0.239 11.365 1.466) 11.462 ======================= Grid point 298 (132/267) ======================= q-point: (-0.21 -0.57 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 1.789 0.138 -2.312) 2.927 2.791 ( 1.724 -1.114 5.232) 5.620 2.903 ( -4.887 -3.593 -8.895) 10.766 3.131 ( -1.077 1.353 0.885) 1.943 3.701 ( 0.490 -3.661 3.734) 5.252 3.831 ( -0.477 -7.567 -7.324) 10.542 4.028 ( -6.250 -14.910 5.924) 17.218 4.219 ( -8.319 -2.681 -10.952) 14.013 4.736 ( 3.526 -3.528 6.777) 8.414 5.055 ( 5.779 -8.555 -2.150) 10.545 5.241 ( 6.898 -11.820 2.219) 13.864 5.448 ( 3.052 -7.214 -0.776) 7.871 5.672 ( -2.205 1.259 -0.571) 2.602 5.945 ( -7.923 -2.484 0.906) 8.353 6.246 ( -2.866 0.037 0.527) 2.914 6.494 ( 4.676 -8.045 1.136) 9.374 6.915 ( -5.541 -1.861 0.894) 5.913 7.817 ( -4.188 1.019 3.769) 5.726 8.340 ( -6.048 -24.893 -0.040) 25.617 9.127 ( -3.369 -17.270 -2.413) 17.760 9.266 ( -0.555 -4.977 1.428) 5.207 9.741 ( 5.109 -6.754 0.255) 8.472 10.351 ( -2.358 4.396 -0.725) 5.041 10.865 ( 18.138 -3.899 -0.703) 18.565 11.800 ( 5.064 8.641 -0.197) 10.017 12.443 ( -13.965 -10.234 0.241) 17.315 13.007 ( 9.346 -5.470 0.538) 10.843 13.731 ( -2.755 9.867 -2.562) 10.560 15.178 ( 3.873 -24.497 1.856) 24.871 15.765 ( -0.493 9.727 -2.913) 10.166 16.514 ( 3.888 -0.624 3.273) 5.120 17.502 ( 4.444 -18.731 -0.142) 19.251 18.965 ( 2.668 -1.835 -2.059) 3.837 20.504 ( -4.761 8.823 1.374) 10.119 21.749 ( -0.685 -7.097 -1.219) 7.233 22.747 ( -2.146 12.724 1.228) 12.962 ======================= Grid point 299 (133/267) ======================= q-point: (-0.14 -0.57 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 2.629 -0.879 -2.649) 3.834 2.833 ( 0.967 -0.044 2.812) 2.974 2.913 ( -4.956 -4.777 -9.147) 11.448 3.062 ( 0.635 5.187 0.567) 5.257 3.767 ( -0.912 -2.101 4.814) 5.331 3.861 ( -2.707 0.325 -4.333) 5.119 4.120 ( 0.041 0.022 -5.590) 5.590 4.282 ( -8.964 -9.893 -0.852) 13.378 4.818 ( -0.883 -2.868 7.488) 8.067 5.224 ( 4.820 -6.219 -3.072) 8.447 5.465 ( 5.351 -6.558 1.021) 8.526 5.551 ( 5.603 2.166 3.349) 6.878 5.662 ( 0.863 -4.155 -4.310) 6.048 5.925 ( -7.096 -1.395 0.897) 7.287 6.238 ( -4.285 -1.532 1.384) 4.757 6.644 ( 1.761 -5.238 1.567) 5.744 6.865 ( -4.468 2.543 0.967) 5.231 7.770 ( 3.560 4.413 3.945) 6.907 8.624 ( -7.749 -12.093 -1.064) 14.402 9.387 ( -0.162 -8.041 0.737) 8.077 9.482 ( -4.244 -23.493 -2.291) 23.983 9.898 ( 3.711 -4.725 1.877) 6.294 10.196 ( -3.502 9.931 -1.785) 10.680 10.816 ( 10.727 14.061 -1.437) 17.744 11.901 ( 12.656 -7.017 0.242) 14.473 12.513 ( -12.842 -7.367 0.501) 14.813 13.145 ( 6.733 -3.324 0.516) 7.527 13.556 ( -2.725 6.197 -2.501) 7.217 15.485 ( 2.978 -2.771 5.402) 6.763 15.639 ( -1.212 -1.404 -5.928) 6.211 16.609 ( 3.879 -5.280 2.928) 7.177 17.808 ( 3.003 -11.276 0.076) 11.669 19.008 ( 2.048 -1.565 -1.309) 2.890 20.312 ( -3.448 8.500 0.333) 9.179 21.873 ( 0.561 -6.920 -1.235) 7.052 22.493 ( -3.126 12.904 1.151) 13.327 ======================= Grid point 300 (134/267) ======================= q-point: (-0.07 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 1.772 0.292 -3.285) 3.744 2.786 ( -3.865 2.833 -6.803) 8.322 2.965 ( -2.112 -1.027 -2.946) 3.768 3.006 ( 4.359 -0.504 1.982) 4.815 3.730 ( -1.905 4.993 2.504) 5.902 3.868 ( 0.583 -3.048 -1.025) 3.268 4.069 ( 1.018 4.899 -5.657) 7.552 4.346 ( -4.394 -2.587 -0.351) 5.111 4.856 ( -3.890 -1.315 8.287) 9.249 5.336 ( 4.382 -2.970 -4.170) 6.739 5.476 ( 1.373 7.455 2.548) 7.998 5.569 ( 1.999 -2.515 1.221) 3.437 5.786 ( 7.174 -4.065 -3.539) 8.973 5.900 ( -6.620 -0.967 1.447) 6.845 6.230 ( -4.994 -0.457 2.615) 5.656 6.682 ( 0.412 2.595 1.420) 2.987 6.816 ( -1.757 -0.199 1.009) 2.036 7.730 ( 7.491 5.307 3.367) 9.778 8.686 ( -7.378 -1.435 -1.680) 7.702 9.473 ( -2.546 -0.581 0.282) 2.627 9.794 ( -1.645 0.870 -0.067) 1.862 9.872 ( 2.793 10.407 -3.524) 11.337 10.021 ( 0.722 -6.367 1.154) 6.510 10.803 ( -2.204 -12.157 -1.290) 12.422 12.067 ( 15.707 1.901 0.486) 15.829 12.490 ( -11.793 0.975 0.482) 11.844 13.236 ( 5.734 -1.790 -0.071) 6.007 13.454 ( -2.328 2.635 -1.751) 3.928 15.448 ( 0.401 3.630 1.093) 3.812 15.724 ( 0.250 -4.999 -0.819) 5.071 16.725 ( -0.072 -3.932 2.407) 4.611 17.943 ( -0.534 -2.671 -0.616) 2.793 19.047 ( 1.400 -1.354 -0.392) 1.987 20.173 ( 0.604 4.949 -0.249) 4.992 21.996 ( 0.694 -4.918 -1.420) 5.166 22.273 ( -0.808 7.768 1.296) 7.916 ======================= Grid point 308 (135/267) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 0.012 0.000 0.979) 0.979 1.866 ( -2.792 -0.000 1.830) 3.338 2.476 ( 18.474 0.000 1.272) 18.518 2.575 ( -5.303 -0.000 0.856) 5.371 2.580 ( 1.004 0.000 -0.474) 1.110 2.855 ( 2.452 0.000 -2.748) 3.683 3.043 ( -1.717 -0.000 0.331) 1.749 3.417 ( -1.085 -0.000 1.422) 1.788 3.450 ( -4.946 -0.000 -9.278) 10.515 4.116 ( -2.488 -0.000 11.370) 11.639 4.303 ( -0.128 -0.000 -0.201) 0.238 4.874 ( -1.672 -0.000 1.229) 2.075 4.996 ( -0.208 -0.000 -6.979) 6.982 5.144 ( -0.066 -0.000 -0.104) 0.123 5.798 ( 2.576 0.000 7.717) 8.136 6.354 ( -1.778 -0.000 -2.146) 2.786 6.645 ( -0.784 -0.000 -0.113) 0.792 6.952 ( 0.032 0.000 0.072) 0.079 8.028 ( -2.534 -0.000 -4.537) 5.197 8.375 ( 2.280 0.000 -3.195) 3.925 9.420 ( -0.001 -0.000 0.067) 0.067 9.501 ( 5.225 0.000 3.215) 6.134 9.556 ( -4.620 -0.000 3.219) 5.631 9.910 ( 0.673 0.000 0.151) 0.690 11.316 ( -0.734 -0.000 -1.504) 1.673 13.131 ( -0.925 -0.000 0.815) 1.232 13.480 ( 22.722 0.000 -7.148) 23.819 13.756 ( -21.658 -0.000 3.411) 21.925 13.858 ( -0.032 -0.000 -0.174) 0.177 14.442 ( -0.922 -0.000 0.113) 0.929 16.578 ( 0.089 0.000 0.396) 0.406 17.432 ( -0.059 -0.000 -0.258) 0.265 18.741 ( 7.600 0.000 -6.498) 9.999 20.454 ( -4.284 -0.000 5.038) 6.614 21.580 ( -2.301 -0.000 1.957) 3.020 23.481 ( 3.147 0.000 1.221) 3.376 ======================= Grid point 309 (136/267) ======================= q-point: (-0.43 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( -3.348 -27.306 -1.974) 27.581 2.104 ( -0.591 -35.110 2.977) 35.241 2.475 ( -10.497 -1.990 2.101) 10.889 2.623 ( 10.095 -9.996 -0.558) 14.217 2.674 ( -1.893 -5.197 0.247) 5.537 2.984 ( 5.852 -7.429 1.412) 9.562 3.267 ( 3.072 -16.556 -8.543) 18.882 3.434 ( -3.363 -11.171 -2.822) 12.002 3.572 ( -2.094 -15.099 1.753) 15.345 4.247 ( 0.094 -9.861 9.098) 13.417 4.315 ( -0.720 -6.373 2.049) 6.732 4.873 ( 0.636 -0.025 1.470) 1.602 5.064 ( 0.227 -8.739 -8.122) 11.933 5.221 ( 1.182 -8.826 -0.586) 8.924 5.824 ( 2.885 0.894 7.948) 8.503 6.334 ( -2.089 0.076 -2.071) 2.943 6.603 ( -5.193 1.410 -0.567) 5.411 6.926 ( -0.724 2.096 0.185) 2.225 7.902 ( -25.064 -2.327 -4.032) 25.493 8.494 ( 17.038 -2.453 -2.389) 17.379 9.494 ( -6.526 1.362 2.812) 7.236 9.535 ( 7.500 -1.674 2.028) 7.948 9.833 ( 1.929 -15.722 0.333) 15.844 9.959 ( 7.702 -22.530 0.084) 23.810 11.210 ( -0.584 10.080 -1.166) 10.164 13.008 ( -5.337 13.762 -1.783) 14.868 13.138 ( 3.291 17.209 -1.376) 17.575 13.744 ( 0.005 -1.122 3.448) 3.626 14.402 ( -0.937 3.666 -0.083) 3.785 14.452 ( 8.381 -40.609 -3.175) 41.586 16.585 ( 0.089 -0.394 0.685) 0.795 17.338 ( -0.203 9.691 -0.617) 9.713 18.785 ( 6.801 -0.493 -5.759) 8.925 20.501 ( -2.664 -6.269 4.818) 8.343 21.550 ( -3.359 1.242 1.645) 3.941 23.459 ( 2.997 5.164 1.427) 6.139 ======================= Grid point 310 (137/267) ======================= q-point: (-0.36 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( -7.038 -8.490 -2.876) 11.397 2.418 ( -4.832 -13.597 3.218) 14.785 2.600 ( -3.056 -10.730 0.064) 11.157 2.771 ( -1.913 -11.610 -0.229) 11.769 2.920 ( -0.145 -5.220 -3.668) 6.381 3.318 ( 4.862 -18.470 -1.430) 19.153 3.484 ( -1.572 -9.181 2.820) 9.732 3.730 ( 5.694 -26.767 -5.988) 28.014 4.037 ( 3.210 -28.773 6.588) 29.691 4.272 ( -1.703 -0.696 -3.512) 3.965 4.727 ( 1.523 -22.604 8.694) 24.266 4.891 ( 2.715 -0.816 1.756) 3.334 5.265 ( -4.836 -16.459 -4.977) 17.862 5.531 ( 5.004 -23.974 -3.681) 24.766 5.856 ( 2.732 -1.256 6.186) 6.879 6.314 ( -1.952 0.115 -0.871) 2.140 6.548 ( -10.126 -2.573 -0.653) 10.468 6.898 ( -3.592 -2.119 0.607) 4.215 7.799 ( -22.709 -6.958 -2.796) 23.915 8.639 ( 9.787 -2.341 -0.308) 10.068 9.389 ( -8.175 3.613 0.763) 8.970 9.694 ( 9.420 -8.779 1.411) 12.954 9.833 ( 16.296 8.714 0.159) 18.481 10.872 ( -3.297 -40.514 -0.648) 40.653 11.010 ( 3.382 -3.831 -0.183) 5.114 12.720 ( -1.534 10.823 -2.463) 11.205 12.908 ( 6.352 14.768 -0.090) 16.077 13.801 ( -3.862 -7.280 3.024) 8.778 14.297 ( -1.328 6.657 -0.171) 6.791 15.259 ( 13.934 -37.707 -2.708) 40.290 16.584 ( -0.101 1.098 1.494) 1.857 17.113 ( -0.356 12.935 -1.514) 13.028 18.835 ( 5.689 -1.270 -5.039) 7.705 20.625 ( -2.566 -6.948 4.710) 8.777 21.508 ( -3.246 0.402 1.012) 3.424 23.349 ( 1.748 8.954 1.110) 9.190 ======================= Grid point 311 (138/267) ======================= q-point: (-0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( -4.561 0.300 -2.385) 5.156 2.649 ( -9.039 -10.498 2.957) 14.165 2.731 ( -2.829 -9.116 -2.242) 9.805 2.968 ( 2.530 -4.003 -3.182) 5.705 3.117 ( -3.499 -24.601 2.651) 24.990 3.533 ( 1.067 -7.082 -2.621) 7.627 3.588 ( -0.896 -5.518 -0.379) 5.604 4.219 ( -2.848 -2.203 -3.650) 5.127 4.329 ( 6.832 -22.841 -1.749) 23.905 4.588 ( 7.134 -22.109 8.565) 24.759 4.906 ( 5.111 -1.513 -0.155) 5.332 5.076 ( 1.354 -11.982 0.024) 12.058 5.515 ( -9.757 -15.016 -0.310) 17.910 5.826 ( 1.807 -2.031 3.568) 4.486 6.132 ( 10.280 -19.142 -2.790) 21.906 6.295 ( -1.678 0.807 0.379) 1.900 6.590 ( -12.534 -12.251 0.506) 17.534 7.043 ( -11.904 -23.064 0.824) 25.968 7.806 ( -14.356 -8.699 -1.231) 16.831 8.728 ( 1.899 -3.639 1.102) 4.250 9.267 ( -7.454 2.953 -0.120) 8.019 9.785 ( 13.266 6.232 -0.140) 14.657 10.040 ( 17.221 -15.596 0.219) 23.235 10.758 ( 2.498 9.113 0.147) 9.450 11.764 ( -12.590 -34.535 -0.494) 36.761 12.514 ( 5.674 16.872 -0.073) 17.801 12.805 ( 12.677 -0.636 -2.023) 12.853 13.992 ( -5.275 -11.388 -0.524) 12.561 14.189 ( 0.403 -3.026 1.712) 3.500 15.906 ( 14.456 -17.332 -0.519) 22.576 16.551 ( 0.192 1.758 2.225) 2.843 16.950 ( 1.115 0.913 -2.190) 2.621 18.890 ( 4.119 -1.912 -4.730) 6.557 20.687 ( -4.722 -0.716 4.608) 6.636 21.517 ( -1.777 -3.765 0.061) 4.163 23.173 ( -0.589 10.861 0.616) 10.895 ======================= Grid point 312 (139/267) ======================= q-point: (-0.21 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -2.665 -0.684 -2.491) 3.711 2.723 ( -5.439 -5.363 -1.126) 7.721 2.822 ( -2.444 -2.805 0.130) 3.723 3.080 ( -0.110 -5.950 -2.817) 6.584 3.558 ( -4.487 -24.188 3.184) 24.805 3.629 ( -0.987 -4.968 2.153) 5.503 3.705 ( -0.727 -8.231 -4.314) 9.322 4.164 ( -4.674 1.641 -6.213) 7.946 4.702 ( 6.590 -8.927 5.600) 12.429 4.915 ( 3.644 -9.805 1.959) 10.642 5.082 ( 10.107 -12.124 0.369) 15.789 5.285 ( 2.022 -10.976 -2.894) 11.530 5.626 ( -7.650 -5.367 0.638) 9.367 5.855 ( -2.778 -1.254 2.472) 3.924 6.250 ( -2.788 1.963 0.760) 3.494 6.414 ( 10.195 -6.690 -1.406) 12.275 6.738 ( -11.837 -11.024 1.909) 16.287 7.519 ( -12.865 -31.092 0.215) 33.649 7.903 ( -7.201 -12.980 0.339) 14.848 8.845 ( -2.229 -9.887 0.470) 10.146 9.198 ( -4.865 -1.097 0.087) 4.988 9.790 ( 13.601 3.845 -0.603) 14.147 10.378 ( 5.742 -4.553 0.431) 7.341 10.792 ( 14.921 -10.957 -0.669) 18.524 11.987 ( -14.367 -3.876 -0.111) 14.881 12.254 ( 2.211 10.096 -0.024) 10.335 12.987 ( 11.928 -5.132 -0.487) 12.995 13.883 ( -4.348 9.571 -2.382) 10.779 14.661 ( 4.260 -33.471 0.278) 33.743 15.985 ( 5.475 11.473 1.261) 12.775 16.562 ( 4.122 0.771 2.091) 4.686 17.180 ( 6.903 -19.968 -0.614) 21.136 18.940 ( 2.245 -2.072 -4.623) 5.541 20.601 ( -6.962 5.745 3.761) 9.779 21.613 ( -0.198 -6.944 -0.542) 6.968 22.952 ( -3.324 11.915 0.347) 12.375 ======================= Grid point 313 (140/267) ======================= q-point: (-0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( -0.495 -1.939 -2.433) 3.150 2.771 ( -5.494 -4.679 -7.959) 10.743 2.835 ( -0.761 -0.737 3.153) 3.326 3.123 ( 0.347 0.519 -1.751) 1.859 3.700 ( -2.509 -4.558 0.861) 5.274 3.807 ( 1.048 -5.065 -5.555) 7.590 3.950 ( -7.312 -18.764 6.558) 21.179 4.095 ( -2.616 0.292 -5.166) 5.798 4.809 ( 2.372 -0.628 6.843) 7.270 5.113 ( 2.380 -8.483 -0.973) 8.864 5.371 ( 9.623 -9.879 -0.505) 13.800 5.496 ( 2.838 -10.912 -3.393) 11.775 5.649 ( 0.502 -0.090 2.420) 2.473 5.847 ( -5.497 -1.104 1.248) 5.744 6.202 ( -3.854 0.530 1.445) 4.150 6.574 ( 6.075 -4.804 -0.141) 7.747 6.803 ( -10.338 -4.850 1.715) 11.547 7.763 ( -5.240 -6.370 2.237) 8.546 8.240 ( -6.569 -24.110 -0.417) 24.992 9.066 ( -3.445 -16.961 -1.441) 17.367 9.251 ( -2.270 -7.222 0.905) 7.624 9.841 ( 8.302 -0.838 -0.301) 8.350 10.353 ( 2.702 6.932 -0.656) 7.469 11.118 ( 16.329 -0.356 -0.886) 16.357 11.879 ( 4.778 0.976 0.038) 4.877 12.240 ( -13.079 -9.002 0.333) 15.881 13.130 ( 6.953 -3.550 0.605) 7.831 13.668 ( -4.126 9.244 -2.638) 10.461 15.239 ( 4.228 -24.182 -1.597) 24.601 15.770 ( 1.436 12.995 1.613) 13.173 16.600 ( 6.080 -0.935 2.589) 6.674 17.593 ( 7.829 -16.793 0.844) 18.547 18.979 ( 0.683 -2.169 -4.054) 4.648 20.425 ( -7.004 7.771 2.368) 10.726 21.745 ( 0.821 -7.326 -0.815) 7.417 22.697 ( -5.290 12.600 0.426) 13.672 ======================= Grid point 314 (141/267) ======================= q-point: (-0.07 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 0.247 -1.571 -3.119) 3.501 2.752 ( -5.079 -0.447 -10.821) 11.962 2.882 ( -1.251 -3.807 2.807) 4.892 3.091 ( 3.118 3.133 -0.387) 4.437 3.755 ( -3.180 -2.689 3.108) 5.196 3.832 ( 1.420 0.464 -4.141) 4.402 4.084 ( -0.785 -2.974 -6.592) 7.274 4.202 ( -2.632 -9.379 4.923) 10.915 4.834 ( -1.383 -0.258 7.015) 7.155 5.257 ( 1.541 -6.628 -2.189) 7.148 5.537 ( 2.243 -3.913 1.181) 4.662 5.609 ( 0.826 3.461 0.470) 3.589 5.724 ( 9.341 -6.514 -2.218) 11.601 5.838 ( -3.908 -1.785 1.101) 4.435 6.187 ( -3.934 -1.238 2.594) 4.872 6.669 ( -0.009 -2.547 0.805) 2.671 6.799 ( -4.049 -1.366 1.000) 4.389 7.805 ( -1.959 -1.335 3.335) 4.092 8.529 ( -3.249 -11.191 -1.387) 11.735 9.382 ( -2.049 -9.182 -0.227) 9.411 9.418 ( -2.076 -21.719 -1.326) 21.858 9.941 ( 1.472 -5.582 1.207) 5.898 10.183 ( 2.603 13.797 -1.995) 14.181 10.959 ( 9.578 20.089 -1.315) 22.294 12.094 ( 12.782 -10.194 0.222) 16.351 12.311 ( -14.760 -8.705 0.646) 17.147 13.233 ( 4.723 -2.977 0.629) 5.618 13.497 ( -3.660 5.463 -2.415) 7.005 15.555 ( 3.063 -1.200 5.459) 6.374 15.594 ( -1.390 -1.326 -5.564) 5.886 16.690 ( 5.168 -2.620 2.863) 6.463 17.865 ( 4.640 -7.585 0.413) 8.901 19.014 ( -0.236 -2.396 -2.583) 3.531 20.258 ( -4.196 5.714 1.045) 7.166 21.886 ( 1.887 -7.274 -1.028) 7.585 22.435 ( -5.242 11.394 0.740) 12.564 ======================= Grid point 323 (142/267) ======================= q-point: (-0.43 -0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 2.597 0.000 0.916) 2.754 1.787 ( -8.835 -0.000 1.152) 8.910 2.401 ( -15.863 -0.000 1.333) 15.919 2.585 ( 0.026 0.000 -0.293) 0.295 2.698 ( 6.529 0.000 2.029) 6.837 2.870 ( 0.784 0.000 -1.870) 2.027 3.044 ( 0.954 0.000 1.134) 1.482 3.362 ( 0.347 0.000 -11.456) 11.461 3.430 ( 2.082 0.000 0.953) 2.290 4.155 ( 0.840 0.000 13.179) 13.206 4.296 ( -0.737 -0.000 -0.195) 0.762 4.872 ( 1.815 0.000 -1.317) 2.243 5.005 ( 4.594 0.000 -5.690) 7.313 5.142 ( -0.211 -0.000 -0.098) 0.233 5.874 ( 2.828 0.000 7.756) 8.255 6.313 ( -2.503 -0.000 -2.604) 3.612 6.577 ( -8.383 -0.000 0.388) 8.392 6.938 ( -1.964 -0.000 0.072) 1.966 7.649 ( -31.259 -0.000 -4.514) 31.583 8.614 ( 18.334 0.000 -2.506) 18.504 9.443 ( 3.076 0.000 0.072) 3.077 9.471 ( -7.706 -0.000 2.663) 8.153 9.596 ( 4.022 0.000 2.269) 4.618 10.050 ( 18.099 0.000 0.708) 18.113 11.297 ( -0.948 -0.000 -1.511) 1.783 13.090 ( -9.038 -0.000 -1.648) 9.188 13.310 ( -12.806 -0.000 -0.744) 12.827 13.854 ( -0.353 -0.000 -0.181) 0.396 14.046 ( 33.294 0.000 -0.790) 33.303 14.430 ( 0.181 0.000 -0.040) 0.185 16.581 ( 0.130 0.000 0.406) 0.426 17.430 ( -0.058 -0.000 -0.264) 0.270 18.816 ( 6.382 0.000 -6.792) 9.320 20.435 ( -1.447 -0.000 5.283) 5.478 21.542 ( -3.676 -0.000 3.237) 4.898 23.534 ( 3.269 0.000 0.822) 3.370 ======================= Grid point 324 (143/267) ======================= q-point: (-0.36 -0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( -10.191 -19.519 -0.943) 22.040 2.128 ( 2.229 -44.629 1.984) 44.728 2.270 ( -18.392 -2.833 1.474) 18.668 2.643 ( -1.284 -2.396 -1.482) 3.096 2.692 ( -0.115 -7.502 -0.285) 7.509 3.077 ( 5.254 -7.914 1.148) 9.568 3.305 ( 5.361 -27.147 -5.849) 28.282 3.368 ( -2.693 -6.114 -4.367) 7.981 3.585 ( 1.933 -15.092 2.729) 15.458 4.270 ( -0.681 0.614 0.439) 1.017 4.354 ( 2.857 -16.009 12.440) 20.475 4.909 ( 3.783 -1.322 -0.429) 4.030 5.055 ( 2.561 -4.269 -6.399) 8.108 5.237 ( 1.718 -10.650 -1.873) 10.949 5.898 ( 2.440 1.043 6.841) 7.338 6.287 ( -3.605 -0.317 -1.927) 4.100 6.476 ( -11.254 2.257 0.606) 11.494 6.887 ( -5.703 2.917 0.197) 6.408 7.485 ( -24.408 -6.595 -3.759) 25.561 8.712 ( 11.661 0.893 -0.984) 11.736 9.389 ( -8.883 2.560 1.639) 9.388 9.641 ( 4.400 -3.349 1.113) 5.640 9.864 ( 2.767 -33.585 -0.215) 33.699 10.199 ( 23.858 -3.480 0.523) 24.117 11.200 ( -0.128 8.992 -0.855) 9.034 12.872 ( -10.126 9.680 -3.889) 14.538 13.178 ( 3.493 9.449 0.642) 10.094 13.752 ( -0.472 3.668 1.777) 4.103 14.362 ( -4.410 1.394 -0.019) 4.625 14.735 ( 28.896 -32.139 -1.735) 43.254 16.589 ( 0.085 -0.460 0.695) 0.837 17.332 ( -0.199 10.055 -0.531) 10.071 18.847 ( 5.264 -0.458 -7.531) 9.200 20.497 ( -1.127 -5.733 5.895) 8.300 21.512 ( -2.642 1.431 4.160) 5.132 23.502 ( 2.134 5.840 -0.298) 6.225 ======================= Grid point 325 (144/267) ======================= q-point: (-0.29 -0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( -14.082 -11.817 -1.852) 18.477 2.287 ( -14.272 -15.246 0.641) 20.893 2.578 ( -0.253 -7.557 -0.942) 7.620 2.754 ( -0.420 -13.758 1.843) 13.887 2.906 ( 0.420 -7.231 -2.731) 7.740 3.389 ( 4.728 -16.061 -1.260) 16.790 3.433 ( -5.680 -6.444 0.907) 8.638 3.817 ( 9.307 -28.499 -4.036) 30.251 4.160 ( 7.734 -35.189 5.597) 36.461 4.231 ( -1.693 1.421 -2.437) 3.290 4.782 ( 0.258 -21.004 9.850) 23.200 4.955 ( 5.114 -0.282 0.337) 5.133 5.184 ( -3.205 -11.406 -4.170) 12.560 5.588 ( 4.927 -26.870 -3.951) 27.602 5.914 ( 1.898 -0.738 3.404) 3.967 6.279 ( -3.815 -2.632 0.627) 4.677 6.371 ( -12.041 -0.565 0.109) 12.055 6.781 ( -12.404 -0.350 0.599) 12.423 7.506 ( -13.575 -10.544 -2.652) 17.392 8.751 ( 5.125 1.439 1.149) 5.446 9.267 ( -8.962 3.396 0.134) 9.585 9.765 ( 2.048 -7.970 0.419) 8.240 10.178 ( 26.134 3.569 -0.268) 26.378 10.803 ( -5.440 -27.289 -0.497) 27.830 11.082 ( 6.647 -8.834 -0.060) 11.056 12.723 ( 4.598 2.774 -3.329) 6.318 13.001 ( 6.366 12.764 -0.616) 14.277 13.748 ( -3.932 -5.865 1.580) 7.236 14.255 ( -4.691 5.629 0.115) 7.328 15.559 ( 26.670 -33.373 0.183) 42.720 16.589 ( -0.122 1.148 1.669) 2.029 17.102 ( -0.202 13.026 -1.386) 13.101 18.877 ( 3.488 -1.138 -8.074) 8.868 20.608 ( -3.283 -5.207 6.948) 9.282 21.483 ( -0.651 0.630 3.182) 3.309 23.357 ( -1.071 9.994 -1.390) 10.147 ======================= Grid point 326 (145/267) ======================= q-point: (-0.21 -0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -10.818 -4.970 -3.251) 12.341 2.489 ( -14.287 -14.617 1.500) 20.494 2.698 ( -0.614 -7.638 -2.793) 8.155 2.969 ( -0.136 -4.871 -6.881) 8.432 3.119 ( 2.066 -20.767 8.275) 22.451 3.508 ( -5.534 -6.503 0.466) 8.552 3.594 ( 4.235 -6.200 -2.755) 7.997 4.158 ( -3.549 1.774 -2.327) 4.600 4.424 ( 6.836 -25.999 -0.123) 26.883 4.757 ( 9.136 -17.592 7.832) 21.314 5.008 ( 9.052 -2.965 -0.475) 9.537 5.090 ( 1.177 -12.579 -1.934) 12.781 5.365 ( -10.411 -13.254 0.125) 16.855 5.863 ( 1.148 0.428 2.825) 3.079 6.240 ( 0.257 -10.586 -0.304) 10.594 6.315 ( 5.423 -14.263 -2.532) 15.468 6.393 ( -9.636 -11.598 2.054) 15.218 6.823 ( -16.740 -21.457 0.589) 27.221 7.622 ( -9.922 -11.690 -1.816) 15.440 8.759 ( 1.117 -0.289 2.356) 2.623 9.157 ( -7.334 1.436 -0.889) 7.526 9.921 ( 5.962 -3.833 -0.077) 7.088 10.343 ( 22.060 -3.117 -0.326) 22.281 10.800 ( 2.761 2.396 0.217) 3.662 11.564 ( -13.212 -23.514 -0.453) 26.975 12.627 ( 8.883 17.677 0.251) 19.785 12.993 ( 14.155 -4.432 -3.119) 15.157 13.930 ( -1.949 -7.311 -3.003) 8.140 14.183 ( -1.471 -11.777 1.538) 11.968 16.179 ( 20.021 -5.985 4.842) 21.450 16.572 ( 2.030 -1.829 1.643) 3.188 16.971 ( 3.433 -3.369 -2.090) 5.244 18.903 ( 0.989 -1.788 -8.283) 8.532 20.625 ( -7.160 1.369 7.563) 10.504 21.515 ( 1.403 -3.555 0.803) 3.906 23.133 ( -5.049 11.470 -1.685) 12.644 ======================= Grid point 327 (146/267) ======================= q-point: (-0.14 -0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -6.714 -4.954 -2.666) 8.760 2.601 ( -9.237 -8.245 -3.755) 12.939 2.797 ( -2.042 -3.631 1.231) 4.344 3.055 ( 0.082 -6.258 -8.351) 10.436 3.500 ( -4.726 -14.896 3.763) 16.075 3.630 ( -0.650 -12.820 3.524) 13.311 3.716 ( 4.336 -5.161 -1.247) 6.856 4.086 ( -3.513 1.889 -1.981) 4.453 4.809 ( 4.355 -8.027 6.188) 11.032 4.957 ( 0.578 -7.485 1.077) 7.584 5.233 ( 8.782 -12.574 -3.869) 15.817 5.307 ( 2.757 -8.581 -1.419) 9.124 5.539 ( -2.539 -12.146 1.750) 12.531 5.844 ( -0.747 1.818 1.763) 2.640 6.200 ( -4.071 1.962 0.396) 4.536 6.530 ( -16.262 -11.838 3.975) 20.504 6.587 ( 12.541 -3.572 -1.540) 13.130 7.356 ( -8.489 -35.297 -0.923) 36.316 7.785 ( -8.420 -16.046 -0.703) 18.135 8.824 ( -1.479 -7.234 1.878) 7.619 9.123 ( -4.843 -3.342 -1.113) 5.989 9.975 ( 11.292 3.811 -0.780) 11.943 10.468 ( 6.885 2.610 0.397) 7.374 11.016 ( 14.698 -17.166 -0.452) 22.603 11.740 ( -17.475 -12.071 0.025) 21.238 12.329 ( 6.535 18.985 -0.158) 20.078 13.135 ( 8.328 -1.905 -0.390) 8.552 13.802 ( -5.179 9.308 -2.587) 10.961 14.745 ( 8.715 -33.193 -3.525) 34.498 16.082 ( 4.888 17.132 5.894) 18.765 16.650 ( 6.881 0.015 1.217) 6.988 17.322 ( 12.647 -21.105 1.400) 24.644 18.921 ( -1.476 -2.460 -7.752) 8.266 20.501 ( -9.350 6.279 5.980) 12.752 21.624 ( 1.935 -6.497 -0.592) 6.804 22.870 ( -7.718 11.722 -1.053) 14.074 ======================= Grid point 328 (147/267) ======================= q-point: (-0.07 -0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( -3.650 -4.694 -3.219) 6.762 2.651 ( -5.248 -4.618 -8.324) 10.870 2.826 ( -2.409 -1.825 2.866) 4.165 3.124 ( 1.965 -1.857 -5.939) 6.525 3.627 ( -6.218 -7.460 -0.528) 9.726 3.817 ( 3.908 -4.423 -5.844) 8.306 3.928 ( -0.482 -10.553 9.514) 14.217 4.074 ( 0.407 -4.539 0.115) 4.559 4.861 ( 0.518 1.629 6.588) 6.806 5.118 ( -0.732 -8.616 -1.247) 8.736 5.435 ( -4.985 -7.688 0.469) 9.175 5.518 ( 7.708 -10.692 -5.531) 14.294 5.744 ( 9.447 -5.766 2.366) 11.318 5.805 ( -1.199 1.560 1.909) 2.742 6.150 ( -3.750 0.198 1.064) 3.903 6.589 ( -11.592 -5.955 2.897) 13.351 6.718 ( 5.283 -3.816 -0.452) 6.533 7.674 ( -8.164 -9.508 1.191) 12.589 8.174 ( -1.218 -26.085 -0.867) 26.128 9.016 ( -2.766 -15.405 -0.377) 15.656 9.209 ( -3.349 -9.442 -0.270) 10.022 9.972 ( 9.619 4.241 -0.999) 10.559 10.414 ( 5.581 8.266 -0.139) 9.974 11.319 ( 10.574 3.380 -0.818) 11.131 11.873 ( -7.471 -16.330 0.162) 17.958 12.130 ( 0.171 2.544 0.247) 2.562 13.212 ( 3.738 -2.273 0.635) 4.421 13.591 ( -4.690 8.476 -2.585) 10.026 15.290 ( 5.108 -20.739 -5.915) 22.163 15.815 ( 1.987 15.166 6.262) 16.528 16.714 ( 8.018 -0.893 2.088) 8.334 17.739 ( 11.081 -12.940 2.255) 17.185 18.942 ( -2.831 -3.415 -5.808) 7.309 20.324 ( -8.324 6.199 3.314) 10.895 21.764 ( 1.969 -7.350 -0.979) 7.672 22.597 ( -8.134 11.494 -0.119) 14.081 ======================= Grid point 338 (148/267) ======================= q-point: (-0.36 -0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 2.192 0.000 -0.099) 2.195 1.632 ( -11.385 -0.000 1.621) 11.500 2.106 ( -23.771 -0.000 -2.302) 23.882 2.578 ( -0.749 -0.000 -0.589) 0.953 2.710 ( -4.024 -0.000 -1.883) 4.443 2.859 ( -1.589 -0.000 -0.535) 1.676 3.066 ( -0.766 -0.000 5.977) 6.026 3.350 ( 3.671 0.000 -9.388) 10.080 3.484 ( 4.724 0.000 0.131) 4.726 4.277 ( 7.978 0.000 14.596) 16.634 4.280 ( -1.306 -0.000 -0.088) 1.309 4.906 ( 3.526 0.000 -5.972) 6.936 5.062 ( 5.771 0.000 -3.575) 6.788 5.137 ( -0.350 -0.000 -0.030) 0.352 5.939 ( 1.774 0.000 5.534) 5.812 6.241 ( -7.991 -0.000 -1.217) 8.084 6.425 ( -10.753 -0.000 2.508) 11.042 6.898 ( -3.418 -0.000 0.045) 3.419 7.218 ( -23.251 -0.000 -3.820) 23.563 8.808 ( 9.654 0.000 -1.505) 9.770 9.349 ( -10.027 -0.000 1.730) 10.175 9.507 ( 5.391 0.000 0.072) 5.391 9.635 ( 0.649 0.000 0.607) 0.889 10.413 ( 29.075 0.000 0.660) 29.083 11.278 ( -0.690 -0.000 -0.757) 1.024 12.845 ( -16.698 -0.000 -4.874) 17.394 13.289 ( 4.175 0.000 1.078) 4.312 13.847 ( -0.597 -0.000 -0.154) 0.616 14.294 ( -2.092 -0.000 -0.287) 2.112 14.679 ( 35.920 0.000 0.322) 35.922 16.585 ( 0.111 0.000 0.321) 0.339 17.428 ( -0.039 -0.000 -0.206) 0.210 18.858 ( 3.882 0.000 -9.937) 10.669 20.454 ( 0.060 0.000 7.756) 7.756 21.530 ( -0.064 -0.000 7.102) 7.103 23.572 ( 1.840 0.000 -2.612) 3.195 ======================= Grid point 339 (149/267) ======================= q-point: (-0.29 -0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -14.996 -18.370 0.334) 23.716 1.952 ( -23.706 -6.503 -3.594) 24.843 2.191 ( 5.354 -45.050 1.943) 45.408 2.596 ( -5.857 -0.795 -0.504) 5.932 2.659 ( -2.043 -9.243 -3.078) 9.954 3.124 ( -6.375 -7.499 8.544) 13.034 3.307 ( 6.064 -28.635 -7.284) 30.162 3.386 ( 4.040 -13.305 -3.702) 14.389 3.637 ( 4.023 -13.276 1.723) 13.979 4.249 ( -1.840 1.957 -0.366) 2.711 4.500 ( 8.506 -12.740 14.508) 21.099 4.946 ( 1.739 -3.923 -8.209) 9.263 5.083 ( 3.999 -0.332 -0.216) 4.019 5.253 ( 2.039 -11.832 -3.023) 12.381 5.947 ( 0.938 1.150 3.174) 3.503 6.163 ( -14.469 -1.005 2.423) 14.704 6.349 ( -4.310 2.053 1.068) 4.892 6.752 ( -11.373 6.549 -0.513) 13.134 7.228 ( -9.195 -11.416 -2.239) 14.829 8.828 ( 4.950 2.612 -0.248) 5.603 9.251 ( -10.510 2.431 0.929) 10.828 9.659 ( -2.020 -3.889 0.027) 4.383 9.928 ( 6.025 -34.903 -0.737) 35.427 10.604 ( 29.127 2.259 0.306) 29.216 11.207 ( 1.809 6.645 0.123) 6.888 12.722 ( -6.467 -0.847 -5.977) 8.847 13.248 ( 5.545 8.587 0.453) 10.232 13.749 ( -0.534 6.020 0.782) 6.094 14.274 ( -7.493 0.850 -0.290) 7.547 15.219 ( 35.878 -26.006 1.304) 44.331 16.594 ( 0.142 -0.601 0.670) 0.911 17.328 ( -0.045 10.318 -0.264) 10.321 18.861 ( 2.007 -0.545 -11.891) 12.072 20.518 ( -0.791 -4.187 10.443) 11.279 21.535 ( 2.948 2.382 7.414) 8.326 23.502 ( -1.330 7.117 -5.126) 8.871 ======================= Grid point 340 (150/267) ======================= q-point: (-0.21 -0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -18.182 -12.671 -3.596) 22.452 2.044 ( -18.247 -19.094 1.654) 26.463 2.556 ( -1.805 -7.206 -3.639) 8.272 2.755 ( -0.573 -12.650 -1.776) 12.787 2.937 ( 4.610 -12.079 2.724) 13.212 3.279 ( -13.243 -13.562 3.349) 19.249 3.495 ( 8.067 -8.250 -2.789) 11.871 3.968 ( 12.314 -25.459 -1.044) 28.300 4.169 ( -3.431 -3.399 -1.531) 5.067 4.296 ( 4.714 -39.499 3.251) 39.912 4.808 ( -2.969 -13.024 7.077) 15.117 5.039 ( 7.257 -3.656 -2.842) 8.608 5.146 ( 0.063 -4.613 0.164) 4.616 5.640 ( 3.944 -30.013 -1.786) 30.323 5.929 ( -1.038 0.478 -1.692) 2.042 6.125 ( -14.530 -7.106 4.354) 16.750 6.295 ( -2.051 1.220 0.016) 2.387 6.612 ( -7.592 -0.172 -0.095) 7.595 7.370 ( -4.955 -9.188 -1.624) 10.564 8.806 ( 1.662 2.459 1.607) 3.376 9.130 ( -9.290 2.309 -0.518) 9.587 9.764 ( -2.463 -10.025 -0.292) 10.327 10.502 ( 12.828 -13.063 -0.741) 18.323 10.754 ( 3.933 -2.125 0.021) 4.471 11.204 ( 9.880 -6.441 0.297) 11.798 12.847 ( 15.202 -8.397 -4.794) 18.016 13.086 ( 5.961 10.922 -2.346) 12.662 13.714 ( -1.070 -5.504 0.238) 5.612 14.159 ( -8.320 4.510 -0.064) 9.464 16.012 ( 32.727 -29.692 4.582) 44.425 16.597 ( 0.163 1.321 2.111) 2.495 17.097 ( 0.356 12.948 -1.065) 12.997 18.853 ( -0.729 -1.127 -12.922) 12.991 20.594 ( -4.235 -1.946 13.294) 14.087 21.527 ( 4.309 2.191 3.477) 5.955 23.285 ( -7.378 11.054 -6.014) 14.588 ======================= Grid point 341 (151/267) ======================= q-point: (-0.14 -0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( -13.793 -10.255 -4.152) 17.682 2.257 ( -17.712 -17.862 2.290) 25.259 2.676 ( 0.333 -7.162 -6.524) 9.693 2.927 ( -1.035 -6.490 -6.158) 9.006 3.224 ( 5.348 -17.451 7.908) 19.891 3.400 ( -7.761 -8.953 -0.263) 11.851 3.673 ( 6.724 -5.278 1.219) 8.635 4.097 ( -4.005 2.424 0.069) 4.682 4.526 ( 6.642 -24.055 0.792) 24.968 4.861 ( -0.296 -8.618 3.419) 9.276 5.101 ( 2.443 -18.077 0.046) 18.241 5.169 ( 8.330 -12.170 -1.373) 14.812 5.229 ( -3.386 -6.634 -0.014) 7.448 5.875 ( -0.923 1.666 0.048) 1.906 6.128 ( -17.103 -13.691 4.609) 22.388 6.214 ( -2.801 -2.739 1.670) 4.258 6.533 ( 3.334 -40.560 -4.061) 40.899 6.653 ( 5.617 -4.116 -0.307) 6.970 7.478 ( -9.383 -9.776 -1.390) 13.622 8.780 ( 0.124 1.027 2.826) 3.010 9.050 ( -6.120 -0.402 -1.795) 6.391 9.963 ( 0.086 -10.977 -0.500) 10.988 10.644 ( 17.605 8.399 0.226) 19.507 10.822 ( -0.235 -12.251 0.159) 12.255 11.415 ( -5.342 -10.091 -0.223) 11.420 12.754 ( 7.795 19.741 -0.168) 21.225 13.178 ( 12.249 -1.798 -3.216) 12.791 13.893 ( -2.404 2.931 -3.734) 5.321 14.212 ( 8.622 -28.754 -2.785) 30.147 16.446 ( 7.648 13.764 9.271) 18.273 16.677 ( 13.460 -7.235 1.915) 15.401 17.059 ( 10.987 -14.600 -0.286) 18.274 18.836 ( -4.028 -2.070 -12.597) 13.387 20.551 ( -8.696 4.656 12.826) 16.181 21.556 ( 3.411 -2.306 -1.027) 4.244 23.000 ( -11.320 10.741 -4.242) 16.171 ======================= Grid point 342 (152/267) ======================= q-point: (-0.07 -0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( -9.009 -9.267 -3.695) 13.442 2.431 ( -11.559 -12.904 -1.871) 17.425 2.769 ( -1.282 -3.933 -2.184) 4.678 3.019 ( 0.780 -6.863 -9.755) 11.953 3.463 ( -1.932 -5.576 1.298) 6.042 3.638 ( 0.678 -18.048 0.824) 18.079 3.819 ( 7.407 -5.455 6.721) 11.392 4.039 ( -2.819 0.768 0.880) 3.051 4.882 ( 1.996 -7.121 5.583) 9.266 4.934 ( -3.717 -6.618 -0.358) 7.599 5.218 ( -4.946 -8.088 -2.432) 9.787 5.388 ( 6.078 -9.563 -1.915) 11.492 5.610 ( 10.114 -16.842 1.445) 19.698 5.835 ( -1.407 1.459 0.610) 2.117 6.139 ( -4.395 0.130 -1.575) 4.671 6.295 ( -15.977 -11.683 5.277) 20.484 6.766 ( 9.443 -0.770 -0.196) 9.477 7.276 ( -1.724 -30.504 -1.563) 30.593 7.670 ( -5.333 -22.848 -1.040) 23.485 8.813 ( -1.671 -5.363 2.770) 6.263 9.055 ( -2.991 -4.521 -2.549) 5.991 10.099 ( 6.182 -1.273 -1.085) 6.404 10.594 ( 9.796 7.091 0.834) 12.122 11.162 ( 1.641 -19.731 -0.003) 19.799 11.531 ( -7.349 -11.443 0.034) 13.599 12.421 ( 5.816 21.113 -0.865) 21.917 13.226 ( 4.278 0.730 -0.204) 4.345 13.708 ( -6.028 8.958 -2.334) 11.047 14.895 ( 15.261 -28.502 -8.369) 33.396 16.166 ( 2.048 19.204 8.740) 21.199 16.775 ( 9.487 0.113 0.814) 9.523 17.568 ( 18.775 -18.852 5.063) 27.084 18.823 ( -6.529 -3.871 -10.529) 12.979 20.384 ( -10.765 7.124 7.903) 15.136 21.651 ( 1.830 -6.010 -2.012) 6.596 22.723 ( -11.053 9.994 -1.615) 14.988 ======================= Grid point 353 (153/267) ======================= q-point: (-0.29 -0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -17.038 -0.000 -0.364) 17.042 1.613 ( 5.172 0.000 2.040) 5.560 1.701 ( -27.735 -0.000 -7.838) 28.821 2.558 ( -1.496 -0.000 -1.401) 2.050 2.583 ( -12.397 -0.000 -0.598) 12.411 2.821 ( -3.430 -0.000 0.474) 3.463 3.003 ( -13.702 -0.000 8.172) 15.954 3.433 ( 14.103 0.000 -7.524) 15.984 3.563 ( 6.042 0.000 -0.427) 6.057 4.257 ( -1.818 -0.000 0.065) 1.819 4.508 ( 13.184 0.000 15.318) 20.211 4.861 ( -3.987 -0.000 -14.773) 15.302 5.132 ( -0.454 -0.000 0.076) 0.461 5.157 ( 8.201 0.000 1.329) 8.308 5.964 ( -0.931 -0.000 -0.383) 1.007 6.053 ( -15.352 -0.000 6.726) 16.761 6.355 ( -1.077 -0.000 1.770) 2.072 6.842 ( -4.065 -0.000 0.006) 4.065 6.942 ( -13.529 -0.000 -2.253) 13.716 8.900 ( 4.254 0.000 -1.347) 4.462 9.201 ( -10.684 -0.000 1.053) 10.736 9.596 ( 6.484 0.000 0.063) 6.485 9.623 ( -2.220 -0.000 -0.724) 2.335 10.857 ( 29.619 0.000 0.348) 29.621 11.279 ( 1.440 0.000 0.760) 1.629 12.611 ( -11.257 -0.000 -7.797) 13.693 13.378 ( 6.779 0.000 0.382) 6.790 13.836 ( -0.717 -0.000 -0.100) 0.724 14.204 ( -8.351 -0.000 -0.473) 8.365 15.249 ( 38.967 0.000 2.799) 39.068 16.587 ( 0.044 0.000 0.177) 0.183 17.427 ( -0.018 -0.000 -0.110) 0.112 18.835 ( 0.383 0.000 -15.292) 15.297 20.510 ( 1.113 0.000 15.754) 15.794 21.623 ( 7.808 0.000 9.979) 12.671 23.544 ( -2.643 -0.000 -10.462) 10.790 ======================= Grid point 354 (154/267) ======================= q-point: (-0.21 -0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -19.702 -16.708 -0.065) 25.833 1.573 ( -23.581 -13.742 -5.638) 27.870 2.297 ( 6.142 -39.577 2.557) 40.133 2.460 ( -12.133 -11.400 3.112) 16.937 2.620 ( -0.668 -8.314 -5.557) 10.023 2.955 ( -17.127 -6.983 3.757) 18.873 3.350 ( -3.106 -47.095 1.754) 47.230 3.491 ( 13.137 -0.875 -3.703) 13.677 3.745 ( 11.454 -11.527 -1.014) 16.282 4.214 ( -2.831 2.644 -0.068) 3.874 4.664 ( 0.100 -4.881 7.049) 8.575 4.911 ( 5.805 -10.214 -7.449) 13.911 5.158 ( 3.926 -1.403 2.178) 4.703 5.289 ( 4.983 -9.912 -0.174) 11.095 5.912 ( -8.750 0.828 -3.593) 9.495 5.993 ( -6.961 -0.533 8.538) 11.029 6.320 ( -1.979 3.535 0.108) 4.052 6.603 ( -7.367 6.099 -0.062) 9.565 7.149 ( -1.703 -14.746 -0.745) 14.862 8.864 ( 0.309 3.659 -0.333) 3.687 9.102 ( -9.515 2.218 0.459) 9.781 9.595 ( -6.005 -3.990 -0.626) 7.237 10.016 ( 5.773 -30.373 -1.065) 30.935 11.000 ( 22.765 6.680 0.107) 23.725 11.280 ( 9.139 1.859 1.414) 9.433 12.650 ( 2.022 -14.282 -10.046) 17.579 13.336 ( 6.171 9.618 -0.454) 11.437 13.744 ( -0.486 6.487 0.371) 6.515 14.143 ( -9.959 0.820 -0.591) 10.010 15.767 ( 36.189 -23.003 4.803) 43.149 16.600 ( 0.436 -1.110 0.727) 1.397 17.329 ( 0.263 10.223 0.163) 10.228 18.797 ( -1.833 -0.307 -17.566) 17.664 20.583 ( 1.146 -1.502 21.658) 21.741 21.663 ( 9.319 5.190 6.903) 12.705 23.389 ( -9.552 9.047 -14.307) 19.437 ======================= Grid point 355 (155/267) ======================= q-point: (-0.14 -0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -19.879 -16.403 -7.882) 26.951 1.791 ( -18.864 -19.186 8.193) 28.126 2.493 ( -4.027 -12.907 -5.163) 14.473 2.714 ( -2.388 -11.191 -6.850) 13.336 2.970 ( -10.688 -10.271 6.182) 16.060 3.173 ( 5.041 -20.202 2.980) 21.033 3.605 ( 7.874 -7.486 -0.549) 10.879 4.104 ( -4.823 -2.437 0.767) 5.458 4.126 ( 6.019 -24.524 1.337) 25.287 4.345 ( 3.786 -43.348 -1.005) 43.525 4.723 ( -9.564 -6.825 -1.819) 11.889 5.147 ( 5.872 -5.905 1.587) 8.478 5.215 ( 9.879 0.268 1.910) 10.066 5.688 ( 0.770 -27.171 5.538) 27.740 5.849 ( -5.721 -3.468 -6.340) 9.217 5.991 ( -6.359 -4.817 4.242) 9.035 6.233 ( -5.426 0.648 -2.878) 6.176 6.602 ( 5.018 -6.611 0.186) 8.302 7.326 ( -0.197 -4.426 -0.601) 4.471 8.817 ( -1.026 1.458 1.608) 2.401 9.004 ( -6.729 1.248 -1.053) 6.925 9.693 ( -6.411 -12.541 -0.588) 14.097 10.487 ( -8.022 -19.451 -0.375) 21.044 10.974 ( 19.335 10.852 0.308) 22.174 11.364 ( 11.240 -0.187 0.508) 11.253 13.116 ( 18.645 -0.033 -1.704) 18.722 13.160 ( 11.493 -3.991 -10.500) 16.071 13.734 ( 5.834 -11.803 -2.570) 13.415 14.017 ( -10.520 3.368 -0.340) 11.051 16.516 ( 26.382 -25.407 5.870) 37.094 16.633 ( 8.090 -1.518 6.189) 10.298 17.105 ( 1.331 12.598 -0.599) 12.682 18.740 ( -5.266 -0.695 -17.903) 18.674 20.622 ( -2.455 3.928 24.625) 25.057 21.606 ( 3.944 5.615 -2.553) 7.321 23.070 ( -16.879 9.983 -11.165) 22.566 ======================= Grid point 356 (156/267) ======================= q-point: (-0.07 -0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( -13.959 -15.388 -6.396) 21.738 2.016 ( -17.221 -19.538 7.086) 26.991 2.651 ( 1.232 -7.072 -9.925) 12.249 2.892 ( 0.054 -7.456 -6.489) 9.884 3.206 ( -10.462 -23.794 3.923) 26.287 3.406 ( 7.125 -5.089 1.551) 8.892 3.798 ( 8.116 -5.645 5.494) 11.310 4.043 ( -4.016 1.800 2.241) 4.939 4.618 ( 5.476 -20.581 -0.051) 21.297 4.785 ( -8.763 -8.261 -1.609) 12.150 5.058 ( -7.596 -24.873 0.251) 26.008 5.181 ( 2.620 -3.315 3.455) 5.458 5.414 ( 16.360 -11.113 -0.568) 19.785 5.805 ( -8.219 -3.924 -5.061) 10.419 5.951 ( -9.170 -5.315 8.260) 13.437 6.180 ( -2.180 -0.644 -0.937) 2.458 6.431 ( -6.183 -33.217 -1.434) 33.818 6.943 ( 23.783 -18.659 -2.274) 30.314 7.327 ( -10.272 -3.146 -0.156) 10.744 8.787 ( -0.790 1.427 2.945) 3.367 8.973 ( -2.608 -2.063 -2.706) 4.287 9.932 ( -3.194 -15.871 -0.645) 16.202 10.697 ( -9.444 -12.952 0.944) 16.058 10.934 ( 14.722 6.060 0.096) 15.920 11.420 ( 4.969 -0.563 0.113) 5.002 12.843 ( 4.910 19.968 -2.000) 20.660 13.303 ( 6.100 3.719 -1.897) 7.392 13.805 ( -7.462 7.292 -1.968) 10.617 14.456 ( 28.162 -34.943 -12.051) 46.468 16.515 ( -0.385 13.326 7.913) 15.504 16.885 ( 11.147 5.238 1.470) 12.403 17.347 ( 25.405 -25.015 8.084) 36.559 18.673 ( -9.396 -2.280 -16.326) 18.974 20.484 ( -10.153 10.293 17.206) 22.474 21.570 ( -0.619 -2.339 -5.993) 6.463 22.781 ( -14.665 7.171 -4.251) 16.869 ======================= Grid point 368 (157/267) ======================= q-point: (-0.21 -0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -21.202 -0.000 1.785) 21.277 1.243 ( -28.721 -0.000 -10.451) 30.563 1.713 ( 6.735 0.000 1.375) 6.874 2.325 ( -27.027 -0.000 11.199) 29.255 2.523 ( -1.974 -0.000 -2.702) 3.346 2.767 ( -4.340 -0.000 1.036) 4.462 2.779 ( -15.815 -0.000 -2.850) 16.070 3.651 ( 6.104 0.000 -0.595) 6.133 3.668 ( 20.016 0.000 -5.174) 20.673 4.228 ( -2.191 -0.000 0.214) 2.201 4.568 ( -13.497 -0.000 -8.483) 15.941 4.890 ( 18.287 0.000 6.176) 19.302 5.125 ( -0.476 -0.000 0.191) 0.513 5.303 ( 9.598 0.000 3.992) 10.395 5.841 ( -11.434 -0.000 1.060) 11.483 5.970 ( -3.497 -0.000 3.124) 4.689 6.371 ( 1.364 0.000 1.575) 2.084 6.775 ( -9.101 -0.000 0.146) 9.102 6.783 ( -3.912 -0.000 -0.028) 3.912 8.927 ( 0.057 0.000 -2.063) 2.063 9.062 ( -7.798 -0.000 0.767) 7.836 9.564 ( -5.036 -0.000 -1.334) 5.209 9.691 ( 6.262 0.000 0.039) 6.262 11.210 ( 13.909 0.000 0.567) 13.920 11.378 ( 14.720 0.000 1.881) 14.840 12.441 ( -6.076 -0.000 -13.225) 14.554 13.477 ( 6.492 0.000 -0.837) 6.546 13.825 ( -0.693 -0.000 -0.032) 0.694 14.061 ( -10.493 -0.000 -0.656) 10.514 15.818 ( 35.239 0.000 5.692) 35.696 16.587 ( -0.028 -0.000 0.026) 0.038 17.427 ( -0.007 -0.000 -0.012) 0.014 18.737 ( -2.389 -0.000 -21.083) 21.218 20.662 ( 7.354 0.000 31.299) 32.152 21.831 ( 14.024 0.000 7.675) 15.986 23.362 ( -13.306 -0.000 -25.789) 29.020 ======================= Grid point 369 (158/267) ======================= q-point: (-0.14 -0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -23.957 -12.442 -6.367) 27.736 1.264 ( -18.261 -25.786 4.027) 31.853 2.149 ( -27.218 -8.295 10.698) 30.399 2.463 ( 4.330 -41.800 3.207) 42.146 2.603 ( 3.548 -19.137 -8.122) 21.090 2.719 ( -12.934 -6.886 -2.914) 14.940 3.305 ( -1.694 -43.630 0.981) 43.674 3.646 ( 9.100 -1.197 -0.796) 9.213 3.955 ( 16.351 -13.234 -2.660) 21.203 4.165 ( -3.379 3.190 -0.750) 4.707 4.517 ( -12.253 -6.799 -8.204) 16.238 5.116 ( 11.947 -4.610 4.922) 13.719 5.223 ( 9.167 -10.625 1.822) 14.151 5.399 ( 7.064 -4.504 5.300) 9.914 5.747 ( -10.773 1.071 -0.459) 10.835 5.953 ( -3.501 -0.323 2.154) 4.123 6.241 ( -8.759 8.552 -1.963) 12.398 6.560 ( 0.418 0.319 1.901) 1.973 7.168 ( 5.260 -18.918 -0.242) 19.637 8.832 ( -4.007 4.132 -0.769) 5.807 8.998 ( -4.527 2.149 0.352) 5.024 9.492 ( -7.169 -2.860 -0.745) 7.754 10.067 ( 1.057 -22.993 -0.922) 23.036 11.255 ( 14.329 4.354 0.988) 15.009 11.490 ( 15.821 1.896 0.946) 15.963 12.705 ( 14.635 -34.533 -20.113) 42.559 13.418 ( 5.285 10.377 -1.127) 11.700 13.739 ( -0.314 6.009 0.061) 6.018 13.985 ( -10.793 1.046 -0.760) 10.870 16.288 ( 29.191 -21.009 6.971) 36.635 16.620 ( 2.466 -3.560 1.246) 4.506 17.338 ( 0.771 9.410 0.766) 9.472 18.662 ( -3.888 0.643 -22.283) 22.629 20.791 ( 11.097 3.597 39.225) 40.923 21.807 ( 5.239 12.987 -4.483) 14.704 23.056 ( -24.371 8.990 -25.501) 36.401 ======================= Grid point 370 (159/267) ======================= q-point: (-0.07 -0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -16.576 -20.553 -7.443) 27.433 1.564 ( -19.175 -18.401 14.708) 30.375 2.386 ( -8.835 -27.603 -2.499) 29.090 2.615 ( -5.351 -9.310 -11.210) 15.523 2.812 ( -8.686 -10.860 3.710) 14.393 3.348 ( 12.937 -15.091 1.630) 19.944 3.723 ( 7.737 -12.938 2.032) 15.211 4.035 ( -5.115 -8.582 2.067) 10.202 4.107 ( -7.296 -27.753 1.906) 28.759 4.456 ( 11.324 -26.286 -4.597) 28.988 4.563 ( -9.168 -8.404 -3.611) 12.950 5.203 ( 0.462 -0.391 3.958) 4.004 5.403 ( 12.237 -2.595 -1.844) 12.644 5.623 ( -11.086 -3.241 3.800) 12.159 5.851 ( 7.593 -23.945 1.855) 25.189 5.931 ( -4.303 -1.010 2.255) 4.962 6.132 ( -5.258 -2.694 -5.552) 8.108 6.691 ( 4.909 -13.664 0.129) 14.520 7.379 ( 8.233 2.283 -0.324) 8.550 8.803 ( -0.671 -1.121 1.198) 1.772 8.935 ( -2.294 0.965 -1.187) 2.757 9.600 ( -4.767 -14.331 -0.596) 15.115 10.331 ( -13.206 -14.070 0.431) 19.302 11.248 ( 17.140 10.364 0.744) 20.044 11.523 ( 9.681 4.427 0.276) 10.649 13.181 ( 3.149 13.697 -6.638) 15.543 13.419 ( 14.009 -0.065 -6.416) 15.408 13.849 ( -8.582 4.394 -1.481) 9.754 13.969 ( 32.223 -39.207 -15.247) 52.990 16.621 ( 1.513 -1.611 2.993) 3.721 17.063 ( 24.647 -28.248 8.231) 38.382 17.142 ( 6.369 12.323 3.894) 14.407 18.558 ( -6.852 1.236 -20.901) 22.030 20.739 ( -2.590 18.637 34.229) 39.060 21.519 ( -11.954 3.930 -18.269) 22.183 22.742 ( -18.027 3.221 -7.600) 19.827 ======================= Grid point 383 (160/267) ======================= q-point: (-0.14 -0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( -22.237 -0.000 6.350) 23.126 0.792 ( -26.609 -0.000 -5.291) 27.130 1.812 ( 5.892 0.000 0.854) 5.953 1.876 ( -44.060 -0.000 25.052) 50.684 2.478 ( -1.917 -0.000 -4.282) 4.692 2.570 ( -6.900 -0.000 -14.288) 15.866 2.708 ( -4.225 -0.000 1.314) 4.424 3.733 ( 5.156 0.000 -0.535) 5.184 3.928 ( 17.500 0.000 -7.214) 18.928 4.197 ( -2.202 -0.000 0.344) 2.228 4.301 ( -13.522 -0.000 -10.149) 16.907 5.120 ( -0.402 -0.000 0.291) 0.497 5.234 ( 21.694 0.000 8.485) 23.294 5.446 ( 4.282 0.000 4.458) 6.181 5.705 ( -6.126 -0.000 5.455) 8.203 5.921 ( -3.808 -0.000 -0.850) 3.902 6.384 ( -1.002 -0.000 1.932) 2.177 6.672 ( -5.697 -0.000 2.785) 6.341 6.731 ( -3.070 -0.000 -0.047) 3.070 8.874 ( -4.605 -0.000 -2.743) 5.360 9.006 ( -0.973 -0.000 0.557) 1.121 9.472 ( -6.283 -0.000 -1.300) 6.416 9.774 ( 4.880 0.000 0.003) 4.880 11.329 ( 5.116 0.000 0.681) 5.161 11.634 ( 14.729 0.000 0.310) 14.733 12.288 ( -5.743 -0.000 -25.288) 25.932 13.547 ( 3.411 0.000 -1.957) 3.932 13.816 ( -0.535 -0.000 0.035) 0.536 13.906 ( -9.410 -0.000 -0.640) 9.431 16.294 ( 23.989 0.000 6.722) 24.913 16.586 ( -0.069 -0.000 -0.095) 0.117 17.427 ( -0.004 -0.000 0.063) 0.063 18.600 ( -1.532 -0.000 -24.162) 24.210 21.060 ( 24.841 0.000 44.611) 51.060 22.020 ( 5.978 0.000 -12.251) 13.632 22.873 ( -32.088 -0.000 -39.056) 50.547 ======================= Grid point 384 (161/267) ======================= q-point: (-0.07 -0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( -17.490 -15.749 0.332) 23.539 1.058 ( -14.407 -29.634 11.676) 34.958 1.722 ( -37.477 -19.322 18.980) 46.240 2.463 ( -1.060 -14.442 -7.496) 16.306 2.549 ( -4.063 -14.331 -8.044) 16.929 2.681 ( 3.562 -43.432 -1.576) 43.606 3.363 ( 10.789 -33.554 -4.351) 35.513 3.770 ( 8.905 -5.036 0.037) 10.231 4.060 ( -4.690 0.418 3.729) 6.006 4.197 ( 11.735 -10.409 -9.794) 18.493 4.338 ( -5.557 -9.222 -7.197) 12.951 5.163 ( -0.712 -3.877 0.346) 3.957 5.413 ( -2.984 -0.627 -8.841) 9.352 5.544 ( 15.287 -11.590 17.005) 25.635 5.663 ( 1.436 4.594 6.823) 8.349 5.903 ( -3.558 -1.502 -0.650) 3.916 6.074 ( -11.755 7.835 -0.211) 14.129 6.589 ( 1.396 -1.854 1.450) 2.736 7.336 ( 19.427 -23.528 -1.662) 30.557 8.779 ( -1.130 1.587 -0.828) 2.117 8.959 ( -1.730 2.902 0.424) 3.405 9.399 ( -4.148 -3.562 -0.640) 5.505 10.016 ( -8.709 -11.929 0.279) 14.772 11.490 ( 17.345 -0.330 0.668) 17.361 11.682 ( 9.557 4.248 -0.105) 10.459 12.873 ( 26.030 -63.845 -50.195) 85.284 13.490 ( 6.078 5.115 0.127) 7.945 13.738 ( 0.472 3.895 -0.462) 3.951 13.838 ( -7.733 1.699 -0.743) 7.952 16.558 ( 4.490 -7.073 3.128) 8.943 16.750 ( 11.332 -20.345 2.835) 23.460 17.360 ( 1.397 7.059 1.436) 7.338 18.525 ( 0.631 2.347 -22.159) 22.292 21.311 ( 30.111 6.076 42.785) 52.670 21.421 ( -56.057 34.658 -43.765) 79.113 22.622 ( -13.810 -0.433 -3.914) 14.360 ======================= Grid point 398 (162/267) ======================= q-point: (-0.07 -0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( -12.953 -0.000 16.841) 21.246 0.511 ( -16.363 -0.000 15.564) 22.583 1.317 ( -47.094 -0.000 35.091) 58.730 1.884 ( 3.266 0.000 0.249) 3.276 2.433 ( -1.106 -0.000 -5.729) 5.835 2.456 ( 0.954 0.000 -17.784) 17.809 2.660 ( -2.985 -0.000 1.414) 3.303 3.793 ( 3.205 0.000 -0.416) 3.232 4.023 ( -0.548 -0.000 0.036) 0.549 4.170 ( -1.484 -0.000 0.457) 1.553 4.215 ( 9.281 0.000 -10.955) 14.357 5.116 ( -0.258 -0.000 0.361) 0.443 5.321 ( -12.950 -0.000 -9.486) 16.052 5.595 ( 16.094 0.000 16.043) 22.724 5.815 ( 6.837 0.000 4.715) 8.305 5.883 ( 5.169 0.000 3.598) 6.298 6.414 ( 8.329 0.000 12.963) 15.408 6.627 ( -2.735 -0.000 3.748) 4.639 6.695 ( -1.686 -0.000 -0.052) 1.687 8.811 ( -1.594 -0.000 -2.404) 2.884 9.008 ( 0.585 0.000 0.082) 0.591 9.385 ( -4.326 -0.000 -0.980) 4.436 9.830 ( 2.648 0.000 -0.033) 2.648 11.221 ( -34.658 -0.000 -32.076) 47.223 11.774 ( 4.972 0.000 -1.508) 5.196 11.944 ( -20.701 -0.000 -24.774) 32.285 13.558 ( -0.269 -0.000 -0.799) 0.843 13.806 ( -3.495 -0.000 -0.632) 3.551 13.811 ( -0.274 -0.000 0.091) 0.289 16.505 ( 0.063 0.000 4.171) 4.172 16.585 ( -0.068 -0.000 -0.175) 0.188 17.427 ( 0.004 0.000 0.108) 0.108 18.533 ( 7.579 0.000 -19.588) 21.003 20.757 (-114.648 -0.000 -88.431) 144.790 22.113 ( 47.153 0.000 24.373) 53.080 22.630 ( 12.024 0.000 22.305) 25.339 ======================= Grid point 399 (163/267) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 1.350 0.000 9.841) 9.933 1.086 ( 4.859 0.000 18.113) 18.753 1.699 ( -27.731 -0.000 20.246) 34.336 1.892 ( -0.630 -0.000 -0.587) 0.861 2.112 ( 22.104 0.000 -10.070) 24.290 2.268 ( 0.129 0.000 -4.296) 4.298 2.656 ( -0.339 -0.000 0.414) 0.535 3.611 ( 0.773 0.000 -20.765) 20.780 3.812 ( 0.191 0.000 -0.181) 0.263 4.172 ( 0.050 0.000 0.308) 0.312 4.513 ( 8.284 0.000 8.909) 12.165 4.882 ( -9.610 -0.000 -8.039) 12.529 5.123 ( -0.044 -0.000 0.242) 0.246 5.845 ( 1.158 0.000 1.125) 1.614 5.992 ( -5.690 -0.000 5.752) 8.091 6.094 ( 8.038 0.000 1.417) 8.161 6.581 ( -2.729 -0.000 0.681) 2.813 6.681 ( 0.003 0.000 -0.033) 0.034 7.100 ( 12.705 0.000 -1.052) 12.748 8.795 ( -0.350 -0.000 -0.597) 0.692 8.962 ( -3.094 -0.000 -0.287) 3.107 9.338 ( -0.272 -0.000 -0.399) 0.483 9.724 ( -13.655 -0.000 0.086) 13.656 9.848 ( -0.018 -0.000 -0.035) 0.039 11.819 ( 0.066 0.000 -0.224) 0.233 11.832 ( 1.346 0.000 0.039) 1.347 13.552 ( 0.113 0.000 -0.093) 0.146 13.779 ( 0.145 0.000 -0.229) 0.271 13.812 ( 0.023 0.000 0.078) 0.081 16.579 ( -0.030 -0.000 -0.136) 0.139 16.645 ( 5.199 0.000 3.287) 6.151 17.430 ( 0.016 0.000 0.082) 0.083 18.481 ( -28.193 -0.000 0.185) 28.193 18.636 ( 5.544 0.000 -3.012) 6.309 22.469 ( 0.899 0.000 -0.430) 0.996 23.360 ( 9.999 0.000 0.840) 10.034 ======================= Grid point 400 (164/267) ======================= q-point: ( 0.07 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 2.753 -9.839 13.258) 16.738 1.413 ( 12.909 -29.174 6.679) 32.594 1.467 ( -22.117 -1.389 12.512) 25.448 2.103 ( 14.217 -1.231 -16.678) 21.950 2.588 ( 3.932 -39.647 8.666) 40.774 2.680 ( 2.925 -43.149 0.167) 43.249 3.100 ( -0.638 -24.586 -8.661) 26.075 3.788 ( 1.397 -21.827 -8.304) 23.395 3.867 ( -1.578 -9.793 -5.695) 11.438 4.167 ( 0.729 0.609 0.910) 1.316 4.528 ( 2.874 2.932 2.516) 4.815 4.828 ( -4.914 -2.223 -1.411) 5.575 5.149 ( -0.766 -3.130 0.822) 3.326 5.840 ( -13.383 14.435 7.698) 21.136 5.877 ( 1.506 -0.525 0.218) 1.610 6.095 ( 6.179 12.262 0.450) 13.739 6.234 ( 4.610 -10.748 -1.908) 11.850 6.553 ( -2.542 1.253 1.809) 3.362 7.683 ( -7.465 -11.391 -5.671) 14.753 8.792 ( -10.717 -3.695 0.096) 11.336 8.944 ( 2.232 1.693 0.451) 2.838 9.393 ( -8.077 -11.179 -0.769) 13.813 9.817 ( 20.768 -2.979 2.379) 21.115 11.160 ( 0.622 -100.718 -14.443) 101.750 11.768 ( -2.625 4.478 -0.124) 5.192 11.806 ( 8.029 -3.766 -5.894) 10.648 13.551 ( -1.883 -0.588 -0.215) 1.984 13.713 ( 1.705 8.926 -0.208) 9.090 13.787 ( -0.103 -1.871 -0.708) 2.003 16.636 ( -6.303 -7.025 2.541) 9.774 16.891 ( 23.989 -13.184 -2.724) 27.508 17.396 ( 1.571 3.371 -0.294) 3.730 18.194 ( -52.996 -10.388 4.685) 54.207 18.959 ( 46.842 -4.286 5.125) 47.316 22.426 ( -12.786 1.312 -0.871) 12.883 23.093 ( 6.971 28.324 -2.266) 29.257 ======================= Grid point 401 (165/267) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -1.719 -8.738 -1.347) 9.007 1.592 ( -5.009 -16.845 23.062) 28.995 2.111 ( 7.019 -29.876 -8.040) 31.725 2.259 ( 13.353 -10.158 -12.718) 21.054 3.043 ( 5.716 -14.900 8.808) 18.228 3.268 ( -3.523 -12.092 -5.620) 13.792 3.817 ( 4.078 -39.386 2.300) 39.663 4.033 ( -4.512 -22.252 -1.785) 22.775 4.120 ( 2.234 -3.479 2.762) 4.972 4.358 ( 5.886 -22.387 -5.850) 23.876 4.554 ( -1.070 -8.326 -2.573) 8.780 4.908 ( 4.124 -7.044 3.298) 8.803 5.259 ( -4.010 -11.640 3.942) 12.927 5.570 ( -5.788 5.624 1.845) 8.279 5.921 ( 0.440 -2.388 0.572) 2.494 6.050 ( 1.880 0.690 -0.282) 2.023 6.460 ( -7.866 -8.544 -7.477) 13.812 6.618 ( 5.925 -15.091 4.802) 16.909 7.595 ( -5.907 8.232 -2.251) 10.379 8.770 ( -6.809 -0.886 1.708) 7.076 8.934 ( 1.444 0.585 -1.345) 2.058 9.589 ( -7.942 -16.822 -0.348) 18.606 10.115 ( 20.382 -12.136 1.103) 23.748 11.453 ( -13.039 9.595 1.626) 16.270 11.639 ( -4.713 5.907 0.102) 7.558 12.693 ( 6.928 -26.445 -14.030) 30.728 13.458 ( -5.299 7.031 -0.439) 8.816 13.684 ( 8.226 1.261 -0.600) 8.343 13.987 ( -15.892 -33.964 -8.062) 38.355 16.703 ( -9.191 -4.225 4.384) 11.024 17.140 ( 0.963 3.885 1.346) 4.223 17.514 ( 19.725 -9.607 3.110) 22.159 18.163 ( -36.257 -24.219 -8.506) 44.424 19.438 ( 47.886 -6.074 14.131) 50.295 22.147 ( -24.404 11.952 -3.179) 27.359 22.747 ( 15.956 15.438 -3.064) 22.413 ======================= Grid point 402 (166/267) ======================= q-point: ( 0.21 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 2.287 -17.019 -6.905) 18.509 1.944 ( -0.654 -17.727 17.062) 24.613 2.445 ( 9.737 -12.508 -13.694) 20.947 2.628 ( 1.979 -15.817 -2.442) 16.126 3.286 ( 3.048 -8.056 0.346) 8.620 3.460 ( -3.419 -12.647 0.110) 13.102 4.061 ( 1.479 -2.312 6.195) 6.776 4.121 ( 1.541 -0.563 1.426) 2.173 4.512 ( 1.596 -16.142 -3.210) 16.536 4.718 ( -1.098 -15.544 -2.356) 15.760 4.926 ( 8.329 -19.249 0.039) 20.974 5.151 ( 7.870 -12.995 2.557) 15.406 5.396 ( -4.719 -2.933 8.032) 9.766 5.715 ( -10.208 -26.512 -3.549) 28.630 5.975 ( 2.182 -2.603 1.403) 3.675 6.082 ( 5.094 -2.628 -2.407) 6.216 6.548 ( -4.708 -12.881 -1.954) 13.852 7.079 ( 8.502 -23.709 0.050) 25.187 7.402 ( -11.381 2.497 -1.773) 11.786 8.743 ( -2.203 0.253 3.351) 4.018 8.940 ( 0.932 -0.902 -2.871) 3.150 9.880 ( -1.934 -18.168 -0.003) 18.271 10.533 ( 15.321 -18.228 0.574) 23.819 11.141 ( -13.060 12.863 0.998) 18.358 11.523 ( -5.202 1.320 0.021) 5.366 12.731 ( 2.389 12.704 -3.640) 13.429 13.315 ( -2.887 4.810 -0.291) 5.618 13.672 ( 8.731 6.137 -0.792) 10.702 14.507 ( -21.575 -34.340 -9.672) 41.693 16.634 ( -5.864 7.536 6.618) 11.618 17.001 ( -9.060 4.642 0.274) 10.183 17.737 ( -4.730 -7.237 12.023) 14.809 18.459 ( -8.765 -24.881 -18.238) 32.070 19.863 ( 36.852 -1.294 15.274) 39.913 21.814 ( -15.005 4.934 -5.518) 16.731 22.646 ( 12.401 8.927 -1.878) 15.395 ======================= Grid point 403 (167/267) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 4.335 -14.126 -7.720) 16.672 2.264 ( -0.018 -13.902 8.131) 16.105 2.736 ( 9.013 -14.063 -8.960) 18.955 2.808 ( -0.990 -5.790 -0.699) 5.915 3.428 ( 1.841 -6.663 -0.385) 6.923 3.601 ( -8.911 -6.853 1.501) 11.341 4.102 ( 3.391 2.088 -0.243) 3.989 4.160 ( 1.687 -4.363 3.947) 6.120 4.760 ( 3.211 -10.012 0.082) 10.515 5.003 ( 0.671 -15.752 1.431) 15.831 5.156 ( 5.237 -2.642 -0.383) 5.878 5.309 ( -2.612 -6.537 0.001) 7.040 5.626 ( 4.594 -14.724 3.284) 15.770 5.917 ( -11.475 -6.142 1.667) 13.121 6.114 ( 6.354 -10.362 2.140) 12.342 6.174 ( 2.236 -3.067 -5.100) 6.357 6.837 ( -0.277 -10.562 0.189) 10.567 7.288 ( 8.546 -5.781 -0.670) 10.340 7.687 ( -10.804 -33.973 -1.350) 35.675 8.783 ( 1.750 -5.506 4.437) 7.285 8.974 ( 0.920 -3.215 -4.043) 5.247 10.118 ( -6.077 -7.374 -0.010) 9.555 10.782 ( -10.435 7.343 0.999) 12.799 11.031 ( 15.658 -14.358 0.104) 21.245 11.577 ( -6.072 -12.440 -0.287) 13.846 12.418 ( -0.980 19.400 -1.260) 19.466 13.243 ( -1.429 1.360 0.123) 1.977 13.596 ( 7.334 8.187 -1.429) 11.084 14.872 ( -12.676 -22.808 -5.957) 26.765 16.389 ( -2.758 15.949 5.121) 16.976 16.883 ( -12.344 -0.014 1.379) 12.421 17.823 ( -11.081 -6.957 7.809) 15.237 18.754 ( -1.866 -15.103 -12.781) 19.873 20.081 ( 22.803 3.478 9.588) 24.980 21.732 ( -6.524 -4.480 -3.813) 8.785 22.562 ( 10.057 9.341 -0.586) 13.738 ======================= Grid point 404 (168/267) ======================= q-point: ( 0.36 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 3.124 -8.241 -6.156) 10.750 2.471 ( -1.042 -8.109 0.828) 8.218 2.862 ( -0.391 -2.380 -1.188) 2.689 2.997 ( 7.746 -7.082 -5.025) 11.636 3.577 ( 0.420 -7.981 3.620) 8.774 3.645 ( -6.988 -7.050 -0.127) 9.927 4.062 ( 2.625 4.201 -0.185) 4.957 4.273 ( 1.810 -4.599 1.173) 5.080 4.923 ( -1.579 -5.933 1.908) 6.429 5.191 ( 0.418 -3.195 -2.916) 4.346 5.253 ( 2.002 -9.123 5.204) 10.692 5.470 ( 4.814 -8.211 -2.563) 9.857 5.811 ( -0.460 -4.178 1.597) 4.496 5.908 ( -10.951 -2.735 1.840) 11.436 6.207 ( 0.092 -1.514 -2.483) 2.909 6.428 ( 13.326 -12.354 2.134) 18.296 6.843 ( -6.642 0.956 -0.316) 6.717 7.553 ( 9.447 -9.951 1.012) 13.759 8.197 ( -6.770 -27.683 -0.750) 28.509 9.016 ( 5.270 -14.468 2.221) 15.558 9.083 ( 1.666 -11.165 -3.010) 11.683 10.025 ( -11.230 7.530 0.407) 13.527 10.548 ( -7.942 10.066 -0.031) 12.822 11.381 ( 5.656 -3.841 -0.323) 6.844 11.771 ( 3.681 -8.152 -0.716) 8.974 12.171 ( -3.865 -1.691 0.211) 4.224 13.241 ( -0.200 -1.570 0.528) 1.668 13.490 ( 5.224 7.730 -1.806) 9.503 15.148 ( -3.774 -15.260 -2.253) 15.880 16.087 ( -2.224 15.046 1.529) 15.286 16.818 ( -10.390 -1.387 2.686) 10.821 17.873 ( -9.008 -5.405 3.633) 11.115 18.929 ( -0.537 -7.825 -7.155) 10.616 20.155 ( 13.437 3.761 4.346) 14.615 21.811 ( -3.178 -7.696 -1.965) 8.555 22.452 ( 8.319 9.903 0.403) 12.940 ======================= Grid point 405 (169/267) ======================= q-point: ( 0.43 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 1.445 -3.724 -4.666) 6.142 2.548 ( -2.665 -2.643 -2.803) 4.685 2.907 ( 1.074 -2.596 -0.489) 2.852 3.074 ( 3.903 1.126 -2.152) 4.597 3.683 ( -4.335 -6.182 4.666) 8.876 3.814 ( 3.124 -9.411 -3.319) 10.457 3.995 ( 1.892 4.603 0.451) 4.997 4.339 ( 0.747 -1.429 0.203) 1.625 4.952 ( -4.244 -0.594 1.784) 4.642 5.277 ( 3.406 -3.708 -3.715) 6.257 5.424 ( -0.539 -8.284 6.610) 10.611 5.593 ( 2.914 -2.159 -1.415) 3.893 5.835 ( 1.428 1.331 -0.618) 2.048 5.885 ( -6.510 -1.763 1.100) 6.833 6.230 ( -0.939 -1.497 0.080) 1.769 6.666 ( 6.981 -3.972 0.884) 8.080 6.799 ( -5.199 -1.694 0.019) 5.468 7.768 ( 8.032 -6.686 3.078) 10.894 8.512 ( -4.510 -10.715 -1.689) 11.747 9.307 ( 2.909 -15.885 -1.195) 16.193 9.440 ( 2.470 -20.439 -0.544) 20.595 9.833 ( -4.400 2.846 1.920) 5.581 10.270 ( -4.829 15.456 -1.109) 16.230 11.090 ( -7.851 22.994 -1.383) 24.337 12.072 ( 16.208 -11.357 0.332) 19.794 12.301 ( -10.267 -10.686 0.125) 14.819 13.287 ( 1.422 -2.193 0.936) 2.776 13.400 ( 1.908 4.170 -2.002) 5.004 15.359 ( 0.559 -9.483 1.195) 9.574 15.839 ( -1.795 10.446 -1.755) 10.744 16.790 ( -5.905 -1.363 2.749) 6.654 17.907 ( -4.681 -3.257 1.038) 5.797 19.009 ( -0.392 -2.873 -3.331) 4.416 20.181 ( 6.743 2.012 1.588) 7.214 21.925 ( -2.282 -6.641 -1.356) 7.152 22.338 ( 5.624 7.923 0.959) 9.764 ======================= Grid point 406 (170/267) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( -0.303 -0.425 -3.967) 4.001 2.547 ( -1.292 -0.428 -3.146) 3.428 2.943 ( -0.242 0.179 0.365) 0.473 3.062 ( 1.533 0.582 -1.442) 2.184 3.771 ( -2.539 -4.777 2.448) 5.938 3.868 ( 4.444 6.193 -1.401) 7.750 3.989 ( 0.972 -2.427 -2.384) 3.538 4.343 ( 0.093 1.130 1.029) 1.531 4.933 ( -2.490 -0.188 2.039) 3.224 5.311 ( 1.390 1.670 -1.281) 2.522 5.563 ( -0.481 -4.932 2.553) 5.575 5.607 ( -0.289 0.829 0.564) 1.043 5.798 ( 0.826 2.085 -1.271) 2.578 5.884 ( 2.012 0.470 0.087) 2.068 6.237 ( -1.876 0.126 1.547) 2.435 6.705 ( -0.623 0.401 0.675) 1.002 6.811 ( -0.539 -0.377 0.362) 0.751 7.887 ( -0.089 -0.603 2.897) 2.961 8.565 ( -0.314 0.231 -1.780) 1.822 9.450 ( -0.263 -0.010 -0.012) 0.263 9.785 ( -0.078 17.264 0.449) 17.270 9.823 ( 1.412 -20.167 -2.254) 20.342 10.039 ( -0.625 1.487 0.227) 1.629 10.750 ( -0.040 1.074 -0.933) 1.423 12.291 ( 3.375 -0.020 0.040) 3.375 12.317 ( -3.592 0.127 0.577) 3.641 13.321 ( 2.789 0.764 1.130) 3.105 13.364 ( -2.166 -0.601 -2.098) 3.075 15.506 ( 0.529 -4.733 1.825) 5.100 15.674 ( -0.640 5.212 -1.721) 5.526 16.791 ( -0.141 -0.658 1.804) 1.925 17.927 ( 0.214 -0.708 -0.436) 0.859 19.018 ( -0.735 0.984 -0.830) 1.482 20.194 ( 0.565 -0.382 0.248) 0.726 21.978 ( 0.415 0.810 -0.682) 1.137 22.285 ( -0.453 -0.806 0.553) 1.077 ======================= Grid point 407 (171/267) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( -2.490 3.129 -3.887) 5.577 2.542 ( 1.001 0.651 -2.119) 2.433 2.899 ( -2.105 2.751 0.945) 3.591 3.062 ( -0.502 0.916 -2.014) 2.269 3.749 ( -0.050 8.416 1.675) 8.581 3.798 ( 3.938 2.716 -4.182) 6.354 4.007 ( -0.280 -1.017 -1.394) 1.748 4.312 ( 0.424 3.169 3.109) 4.459 4.942 ( -0.461 -1.338 2.735) 3.079 5.231 ( -1.171 6.736 0.299) 6.844 5.539 ( -3.587 5.066 -0.856) 6.267 5.573 ( 1.027 3.937 -2.253) 4.651 5.812 ( -0.277 -2.303 1.368) 2.693 5.904 ( 9.691 1.825 -0.591) 9.879 6.201 ( -3.041 2.205 2.568) 4.550 6.658 ( -6.724 3.477 1.601) 7.737 6.797 ( 3.061 1.913 0.158) 3.613 7.790 ( -8.833 6.712 1.301) 11.170 8.502 ( 4.756 10.166 -0.941) 11.263 9.299 ( -3.215 18.346 -0.601) 18.635 9.423 ( -1.330 16.012 0.956) 16.095 9.912 ( 3.985 -0.357 -4.592) 6.091 10.239 ( 4.636 -16.258 1.448) 16.968 11.071 ( 8.034 -23.100 0.160) 24.458 12.075 ( -16.190 11.642 0.116) 19.942 12.296 ( 10.183 10.375 0.504) 14.546 13.296 ( -0.025 2.890 0.415) 2.920 13.390 ( -2.181 -4.475 -1.324) 5.152 15.425 ( -0.977 10.065 -4.763) 11.178 15.758 ( 2.301 -10.388 5.558) 12.004 16.817 ( 5.289 0.219 0.428) 5.310 17.936 ( 5.618 1.743 -1.330) 6.030 18.957 ( -1.541 4.986 1.014) 5.316 20.207 ( -5.337 -3.070 -0.586) 6.185 21.906 ( 2.219 7.108 0.268) 7.451 22.354 ( -5.868 -8.157 -0.393) 10.057 ======================= Grid point 408 (172/267) ======================= q-point: (-0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( -4.514 7.849 -3.621) 9.751 2.501 ( 0.092 4.521 -1.379) 4.728 2.837 ( -3.001 3.196 1.987) 4.813 2.970 ( -1.244 7.665 -3.940) 8.708 3.579 ( -0.642 9.184 0.855) 9.246 3.741 ( 7.695 6.311 -6.519) 11.897 4.036 ( -2.039 -2.523 1.912) 3.765 4.238 ( 0.636 6.257 4.987) 8.026 4.954 ( -0.518 2.561 -0.460) 2.653 5.091 ( -3.702 4.595 3.964) 7.108 5.353 ( -4.468 11.664 -0.718) 12.511 5.480 ( 2.248 6.109 -4.554) 7.944 5.832 ( -0.373 1.012 -0.144) 1.088 5.933 ( 13.744 5.229 -0.457) 14.713 6.136 ( -4.126 2.289 3.381) 5.805 6.447 ( -14.124 10.839 0.687) 17.816 6.825 ( 6.171 -1.023 1.067) 6.346 7.557 ( -10.099 11.776 0.629) 15.526 8.193 ( 6.806 27.758 -0.415) 28.583 9.005 ( -1.837 9.899 1.979) 10.261 9.101 ( -4.438 14.100 -3.314) 15.149 10.062 ( 11.201 -6.376 -2.706) 13.170 10.532 ( 7.446 -10.928 1.346) 13.292 11.371 ( -5.038 2.960 0.452) 5.860 11.761 ( -3.982 9.180 0.119) 10.007 12.180 ( 4.270 1.070 -0.459) 4.426 13.250 ( 0.244 1.623 -0.136) 1.647 13.476 ( -4.193 -7.499 -0.731) 8.622 15.183 ( 4.206 16.174 -5.251) 17.517 16.036 ( 2.223 -16.401 5.815) 17.542 16.861 ( 9.316 0.856 -0.795) 9.389 17.947 ( 11.906 3.472 -2.215) 12.599 18.808 ( -3.131 10.287 2.730) 11.095 20.228 ( -10.998 -6.168 -1.725) 12.727 21.778 ( 1.798 8.296 0.793) 8.525 22.463 ( -8.106 -9.130 -0.523) 12.220 ======================= Grid point 409 (173/267) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -5.291 13.897 -2.876) 15.146 2.366 ( -4.450 8.660 2.412) 10.030 2.635 ( -3.453 15.688 -2.792) 16.305 2.850 ( 1.539 4.858 -4.741) 6.960 3.429 ( -1.061 7.419 -0.685) 7.526 3.632 ( 5.736 10.910 -1.627) 12.433 4.066 ( -2.296 -1.900 2.830) 4.110 4.142 ( 1.767 5.641 5.831) 8.303 4.805 ( -4.189 8.594 -3.391) 10.144 4.977 ( -5.054 13.336 2.714) 14.517 5.144 ( -3.441 3.314 0.834) 4.850 5.371 ( 4.875 7.935 -4.433) 10.314 5.705 ( -4.749 10.245 -3.310) 11.767 5.912 ( 15.024 10.344 2.293) 18.385 6.056 ( -6.880 5.003 3.456) 9.182 6.164 ( -8.060 6.160 -1.193) 10.214 6.835 ( -0.291 10.198 0.377) 10.210 7.255 ( -6.653 7.747 2.096) 10.425 7.672 ( 10.057 34.381 -0.136) 35.822 8.859 ( -2.229 4.933 1.146) 5.534 8.928 ( -0.356 3.146 -3.107) 4.436 10.135 ( 5.663 7.853 -1.468) 9.793 10.779 ( 9.897 -7.745 1.256) 12.630 11.031 ( -15.464 14.102 0.078) 20.929 11.567 ( 6.652 12.304 0.496) 13.996 12.431 ( 1.712 -19.814 -2.251) 20.015 13.253 ( 1.427 -1.477 -0.662) 2.158 13.583 ( -6.071 -8.090 -0.359) 10.121 14.885 ( 14.186 22.637 -6.653) 27.530 16.383 ( 1.020 -18.092 4.968) 18.789 16.920 ( 11.768 0.710 -1.492) 11.884 17.981 ( 18.633 4.157 -4.132) 19.533 18.534 ( -5.963 17.529 4.733) 19.111 20.258 ( -18.892 -9.482 -5.271) 21.786 21.650 ( 3.079 7.360 2.865) 8.477 22.552 ( -8.991 -7.410 0.168) 11.652 ======================= Grid point 410 (174/267) ======================= q-point: (-0.21 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -2.678 17.689 -0.041) 17.890 2.122 ( -12.458 13.782 14.975) 23.862 2.323 ( 2.604 13.952 -16.423) 21.707 2.684 ( -1.197 14.899 -7.178) 16.581 3.215 ( -5.722 15.070 6.216) 17.277 3.477 ( 4.579 7.519 -1.580) 8.944 4.082 ( -0.034 1.185 3.075) 3.296 4.090 ( 0.689 1.904 5.247) 5.624 4.557 ( -5.555 18.840 -5.576) 20.418 4.660 ( 0.947 14.548 1.517) 14.657 4.939 ( -7.809 21.083 -1.319) 22.521 5.252 ( -3.701 4.658 -3.055) 6.688 5.525 ( -4.220 1.529 -4.198) 6.145 5.651 ( 13.576 27.369 0.844) 30.563 5.968 ( -5.129 0.843 1.958) 5.554 6.072 ( -1.893 2.948 -1.831) 3.953 6.467 ( 2.592 19.731 5.079) 20.539 7.090 ( -5.650 23.805 -0.881) 24.482 7.351 ( 12.079 -2.955 2.486) 12.681 8.816 ( 0.958 0.289 -1.716) 1.987 8.896 ( -0.249 0.301 -0.127) 0.410 9.885 ( 0.955 18.339 -0.413) 18.369 10.534 ( -14.749 18.400 0.459) 23.586 11.150 ( 12.563 -13.403 0.354) 18.374 11.518 ( 5.682 -1.308 0.342) 5.841 12.756 ( -0.653 -14.334 -5.543) 15.382 13.324 ( 2.987 -4.921 -1.108) 5.862 13.666 ( -7.631 -6.373 -0.265) 9.946 14.518 ( 24.991 32.727 -10.154) 42.411 16.669 ( 1.643 -9.278 3.259) 9.970 17.016 ( 10.347 -3.360 -1.316) 10.958 18.049 ( 8.055 0.901 -15.535) 17.522 18.097 ( 5.053 28.530 14.264) 32.295 20.211 ( -37.154 -7.546 -15.551) 40.978 21.633 ( 12.929 -0.366 10.540) 16.684 22.600 ( -9.144 -5.056 1.966) 10.632 ======================= Grid point 411 (175/267) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 2.428 12.891 8.165) 15.452 1.775 ( -11.867 18.076 17.889) 28.064 2.097 ( 2.643 11.077 -17.530) 20.904 2.220 ( -10.556 25.232 -7.421) 28.340 2.897 ( -4.853 17.300 12.293) 21.771 3.394 ( 4.270 6.237 -8.603) 11.452 3.852 ( -3.718 54.441 -0.282) 54.568 3.998 ( 1.044 9.046 0.841) 9.145 4.119 ( -1.548 -0.647 3.656) 4.023 4.382 ( -1.545 26.500 -7.220) 27.509 4.460 ( 1.685 10.120 3.134) 10.728 5.102 ( -9.375 3.823 -11.231) 15.121 5.300 ( 0.839 12.204 -0.645) 12.250 5.607 ( 3.671 -8.211 -1.037) 9.054 5.909 ( -1.365 3.094 1.405) 3.662 6.026 ( -1.077 0.601 1.165) 1.697 6.262 ( 10.050 14.000 10.894) 20.388 6.693 ( -2.588 12.356 -2.179) 12.811 7.546 ( 8.178 -6.857 1.848) 10.831 8.818 ( 6.185 2.379 -2.383) 7.042 8.907 ( -1.965 -2.188 1.027) 3.115 9.584 ( 6.494 16.526 0.006) 17.756 10.120 ( -19.160 12.497 0.609) 22.883 11.478 ( 11.867 -11.671 -0.114) 16.645 11.638 ( 4.804 -5.983 0.134) 7.674 12.769 ( -1.289 19.882 -19.707) 28.024 13.468 ( 5.319 -7.343 -1.208) 9.147 13.690 ( -8.218 -2.093 -1.067) 8.547 13.998 ( 21.252 36.146 -9.718) 43.042 16.741 ( 6.582 3.972 1.197) 7.780 17.145 ( 1.344 -0.477 -0.148) 1.434 17.501 ( -19.521 21.758 3.988) 29.502 18.173 ( 31.691 4.221 -8.612) 33.110 19.829 ( -62.401 4.513 -23.608) 66.870 21.974 ( 29.411 -15.619 15.073) 36.554 22.637 ( -9.737 -7.463 6.083) 13.693 ======================= Grid point 412 (176/267) ======================= q-point: (-0.07 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 1.173 4.527 19.382) 19.939 1.277 ( 1.184 35.524 8.050) 36.444 1.760 ( -27.025 -0.483 17.160) 32.017 2.000 ( 9.485 3.770 -24.303) 26.359 2.528 ( -2.694 27.712 9.568) 29.440 2.670 ( 0.321 56.535 -0.725) 56.540 3.177 ( -2.132 26.128 -11.815) 28.754 3.783 ( 3.772 15.208 -6.138) 16.828 3.915 ( 0.285 14.593 -10.895) 18.213 4.162 ( -0.755 -1.003 1.628) 2.056 4.413 ( 6.532 0.065 9.495) 11.525 4.972 ( -8.654 0.476 -11.081) 14.068 5.160 ( -0.872 4.076 -0.346) 4.183 5.858 ( 0.025 2.026 1.669) 2.625 5.922 ( 8.282 -23.019 1.924) 24.539 6.021 ( -7.256 -2.289 5.752) 9.538 6.124 ( 8.179 7.514 7.759) 13.549 6.587 ( -1.701 0.073 -0.938) 1.944 7.620 ( 15.781 14.575 -0.124) 21.482 8.807 ( 8.668 4.246 -1.215) 9.728 8.945 ( -2.529 -3.311 0.432) 4.189 9.391 ( 7.125 10.104 -0.508) 12.373 9.832 ( -20.082 2.992 1.078) 20.332 11.363 ( -7.207 105.006 -35.199) 110.983 11.748 ( -0.518 -4.633 1.060) 4.781 11.775 ( -0.179 -2.889 -1.002) 3.063 13.555 ( 1.867 1.312 -0.573) 2.352 13.712 ( -1.661 -9.068 -0.147) 9.220 13.783 ( 0.957 1.651 -0.317) 1.934 16.671 ( 7.624 8.574 -0.379) 11.480 16.795 ( -16.911 15.856 5.515) 23.828 17.390 ( -0.486 -4.027 0.312) 4.068 18.333 ( 35.016 2.774 -8.740) 36.197 19.143 ( -71.093 8.102 -13.435) 72.803 22.406 ( 17.584 -2.483 1.239) 17.802 22.944 ( 7.340 -27.388 12.728) 31.080 ======================= Grid point 414 (177/267) ======================= q-point: ( 0.07 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 9.559 0.000 3.711) 10.255 1.359 ( 22.870 0.000 8.751) 24.487 1.390 ( -23.531 -0.000 12.101) 26.461 1.864 ( -3.112 -0.000 0.596) 3.169 2.264 ( 1.516 0.000 -2.848) 3.226 2.474 ( 28.893 0.000 -3.718) 29.131 2.669 ( 1.679 0.000 0.661) 1.804 3.548 ( 1.555 0.000 -14.665) 14.747 3.792 ( -2.614 -0.000 -0.361) 2.639 4.185 ( 1.535 0.000 0.131) 1.541 4.545 ( -6.155 -0.000 -7.613) 9.790 4.804 ( 1.643 0.000 9.763) 9.900 5.125 ( 0.115 0.000 0.196) 0.227 5.832 ( -11.660 -0.000 4.544) 12.514 5.902 ( -0.397 -0.000 0.207) 0.447 6.136 ( -2.817 -0.000 -3.882) 4.796 6.529 ( -4.686 -0.000 2.612) 5.365 6.694 ( 1.680 0.000 -0.025) 1.680 6.951 ( -18.263 -0.000 -4.337) 18.771 8.745 ( 2.025 0.000 -0.600) 2.112 8.974 ( 0.784 0.000 1.055) 1.314 9.362 ( 4.444 0.000 -0.528) 4.475 9.828 ( -2.671 -0.000 0.004) 2.671 10.259 ( 58.605 0.000 5.743) 58.886 11.781 ( -5.582 -0.000 -0.098) 5.582 11.820 ( -1.452 -0.000 -2.757) 3.116 13.553 ( -0.980 -0.000 -0.138) 0.989 13.795 ( 3.550 0.000 -0.408) 3.573 13.814 ( 0.319 0.000 0.014) 0.320 16.578 ( -0.017 -0.000 -0.042) 0.045 16.917 ( 28.073 0.000 -9.872) 29.758 17.431 ( 0.050 0.000 0.027) 0.057 17.757 ( -46.214 -0.000 16.075) 48.930 19.315 ( 54.730 0.000 12.168) 56.067 22.321 ( -20.087 -0.000 -1.716) 20.160 23.355 ( -4.810 -0.000 -11.222) 12.209 ======================= Grid point 415 (178/267) ======================= q-point: ( 0.14 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -10.342 2.235 -0.867) 10.616 1.320 ( 4.023 -20.466 10.986) 23.574 1.686 ( 19.279 -17.776 4.827) 26.664 2.218 ( 8.341 -5.200 -6.825) 11.966 2.611 ( -2.922 -53.708 2.429) 53.842 2.835 ( 15.554 -16.451 -1.836) 22.715 3.113 ( 4.631 -28.157 1.047) 28.554 3.757 ( -0.363 -26.475 -8.665) 27.859 3.823 ( -2.650 -6.620 -0.505) 7.149 4.191 ( 1.964 0.591 0.468) 2.104 4.478 ( -5.236 -1.059 -8.104) 9.706 4.873 ( 6.277 -2.304 11.267) 13.102 5.145 ( -0.360 -2.320 1.226) 2.649 5.667 ( -13.554 8.040 6.290) 16.968 5.901 ( 1.453 0.729 -1.631) 2.303 6.085 ( -8.382 0.745 -0.487) 8.429 6.280 ( 6.478 3.500 -7.837) 10.754 6.549 ( 0.104 -0.083 4.495) 4.497 7.426 ( -18.485 -22.099 -3.638) 29.040 8.717 ( 1.867 1.856 0.430) 2.668 8.966 ( 1.213 1.469 0.289) 1.927 9.367 ( 3.371 -3.632 -0.020) 4.955 10.057 ( 7.950 -12.598 -0.463) 14.904 11.204 ( 3.848 -38.626 2.518) 38.899 11.681 ( -9.666 3.829 0.597) 10.414 11.928 ( 13.778 -25.534 -10.101) 30.722 13.489 ( -6.426 4.530 0.142) 7.864 13.725 ( -0.219 6.080 0.006) 6.084 13.837 ( 8.076 1.373 -0.883) 8.239 16.595 ( -1.606 -2.516 1.301) 3.256 17.205 ( 9.617 -7.781 -11.273) 16.736 17.470 ( -0.066 -11.456 -8.662) 14.362 17.561 ( -21.871 -2.670 21.330) 30.666 19.789 ( 56.188 -2.019 20.731) 59.924 22.091 ( -29.072 5.158 -3.865) 29.778 23.119 ( 2.286 15.559 -11.961) 19.758 ======================= Grid point 416 (179/267) ======================= q-point: ( 0.21 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -0.505 -13.562 -4.654) 14.347 1.729 ( 9.508 -14.357 17.804) 24.769 2.193 ( 8.726 -22.035 -8.866) 25.303 2.387 ( 9.119 -9.918 -5.477) 14.544 3.162 ( 5.476 -10.046 4.686) 12.364 3.209 ( -1.780 -15.221 -3.035) 15.623 3.893 ( 1.874 -44.854 -1.379) 44.914 3.961 ( -3.216 -9.438 3.496) 10.566 4.166 ( 3.093 -3.094 1.283) 4.559 4.411 ( 3.024 -36.395 -4.802) 36.835 4.518 ( 0.415 -7.842 -4.001) 8.814 5.048 ( 8.297 -8.014 8.502) 14.330 5.222 ( -2.194 -7.060 3.898) 8.357 5.488 ( -5.944 3.010 2.849) 7.246 5.920 ( -0.345 -4.371 -0.572) 4.422 6.078 ( 1.345 -1.854 0.134) 2.294 6.329 ( -4.068 -6.723 -8.320) 11.444 6.666 ( -1.471 -13.810 1.685) 13.990 7.459 ( -8.922 2.099 -1.851) 9.350 8.736 ( 1.373 -0.932 1.967) 2.573 8.949 ( 1.768 1.287 -0.930) 2.377 9.566 ( 3.389 -14.771 0.062) 15.155 10.367 ( 13.478 -13.481 -0.120) 19.063 11.230 ( -17.414 8.425 1.208) 19.383 11.540 ( -8.766 4.030 0.389) 9.655 12.730 ( 3.691 -26.542 -7.955) 27.953 13.329 ( -12.777 2.702 -0.607) 13.073 13.731 ( -7.956 -15.521 -0.982) 17.468 13.850 ( 9.339 4.305 -1.539) 10.398 16.628 ( -3.931 -1.809 3.391) 5.498 17.144 ( -0.507 10.710 0.064) 10.722 17.477 ( -36.749 -13.416 12.694) 41.129 17.961 ( 20.112 -22.460 -15.559) 33.927 20.223 ( 44.352 2.493 23.412) 50.214 21.755 ( -24.240 5.497 -7.442) 25.945 22.903 ( 9.861 10.670 -8.115) 16.642 ======================= Grid point 417 (180/267) ======================= q-point: ( 0.29 0.07 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 7.530 -18.251 -6.412) 20.759 2.066 ( 7.453 -12.050 13.984) 19.907 2.531 ( 9.567 -13.819 -11.424) 20.322 2.649 ( 1.848 -11.586 -0.398) 11.739 3.331 ( 1.189 -6.640 0.181) 6.748 3.406 ( -2.191 -9.038 -0.098) 9.300 4.074 ( -3.468 -5.876 1.181) 6.925 4.153 ( 2.702 0.389 -0.241) 2.741 4.538 ( 1.638 -22.767 2.433) 22.956 4.687 ( -1.203 -12.284 -1.823) 12.476 5.067 ( 10.057 -19.688 -0.077) 22.108 5.196 ( -3.845 -2.681 2.098) 5.136 5.405 ( -4.741 -14.306 4.554) 15.744 5.567 ( -1.340 -14.203 0.489) 14.274 6.061 ( 8.727 -5.091 2.514) 10.411 6.170 ( 8.194 -3.715 -2.661) 9.382 6.510 ( 0.634 -21.018 -1.651) 21.092 6.967 ( -20.740 -23.451 -2.585) 31.413 7.370 ( 7.283 0.686 -0.978) 7.380 8.760 ( 2.063 -0.486 3.706) 4.269 8.946 ( 1.831 -0.006 -2.408) 3.025 9.888 ( 1.855 -15.436 0.212) 15.549 10.736 ( 10.625 -13.581 0.318) 17.246 10.924 ( -15.929 6.505 0.337) 17.209 11.444 ( -4.500 -0.459 -0.258) 4.530 12.739 ( -0.239 15.274 -1.264) 15.328 13.240 ( -7.781 -0.009 -0.894) 7.832 13.804 ( 8.975 7.651 -1.822) 11.934 14.170 ( -17.079 -36.729 -3.535) 40.660 16.588 ( -4.169 5.173 6.010) 8.958 16.899 ( -5.983 11.438 0.018) 12.908 17.528 ( -26.379 -14.449 8.260) 31.190 18.417 ( 9.136 -18.892 -13.768) 25.098 20.412 ( 26.257 9.182 16.075) 32.127 21.591 ( -10.369 -3.233 -5.611) 12.225 22.798 ( 10.276 8.670 -3.880) 13.994 ======================= Grid point 418 (181/267) ======================= q-point: ( 0.36 0.07 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 7.672 -11.978 -5.245) 15.161 2.326 ( 4.102 -8.989 6.189) 11.659 2.795 ( 0.910 -5.412 -0.304) 5.497 2.852 ( 10.383 -13.811 -7.495) 18.834 3.452 ( -0.190 -7.158 -1.991) 7.432 3.500 ( -4.461 -4.225 4.313) 7.507 4.136 ( 0.021 0.052 -0.128) 0.139 4.185 ( 2.172 -4.734 -1.951) 5.562 4.798 ( 1.440 -7.470 2.090) 7.890 4.978 ( -6.191 -17.260 6.030) 19.303 5.183 ( -0.069 -1.871 -4.915) 5.260 5.350 ( 7.599 -8.249 -0.269) 11.219 5.617 ( -9.955 -13.107 2.059) 16.587 5.774 ( -2.427 -6.954 1.701) 7.559 6.200 ( 4.298 -0.970 -2.293) 4.967 6.334 ( 16.380 -9.944 3.092) 19.410 6.782 ( -8.645 -2.122 -0.117) 8.903 7.306 ( -1.456 -28.918 -2.059) 29.028 7.649 ( 5.650 -21.946 -0.628) 22.670 8.852 ( 4.333 -7.538 4.507) 9.793 8.973 ( 1.561 -2.663 -3.452) 4.631 10.031 ( -6.720 -0.206 0.217) 6.727 10.614 ( -11.595 6.427 0.515) 13.267 11.181 ( 0.026 -19.397 -0.312) 19.400 11.551 ( 6.861 -11.219 -0.404) 13.157 12.380 ( -3.737 19.550 -0.220) 19.905 13.202 ( -4.504 -1.140 0.044) 4.646 13.701 ( 7.558 9.726 -2.064) 12.489 14.680 ( -9.951 -30.253 -2.309) 31.932 16.366 ( -3.241 16.204 3.442) 16.880 16.728 ( -9.776 1.019 1.556) 9.951 17.631 ( -17.549 -12.654 4.516) 22.102 18.722 ( 3.148 -12.802 -9.104) 16.022 20.406 ( 15.615 9.777 7.382) 19.847 21.646 ( -3.045 -7.502 -2.148) 8.377 22.698 ( 8.949 9.754 -1.046) 13.278 ======================= Grid point 419 (182/267) ======================= q-point: ( 0.43 0.07 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 4.402 -5.751 -3.346) 7.978 2.472 ( 1.020 -4.343 0.903) 4.552 2.867 ( 1.400 -2.810 -0.444) 3.171 3.090 ( 7.508 -3.983 -5.082) 9.903 3.549 ( -4.626 -6.120 2.539) 8.081 3.634 ( 4.381 -11.108 0.162) 11.942 4.109 ( 3.782 4.018 -0.288) 5.525 4.288 ( 0.499 -4.860 -2.242) 5.375 4.890 ( -4.223 -3.094 3.283) 6.179 5.161 ( -2.713 -8.509 1.487) 9.054 5.285 ( -0.544 -8.114 0.002) 8.132 5.537 ( 4.157 -6.438 -2.390) 8.027 5.741 ( -6.343 -7.249 1.251) 9.713 5.839 ( -0.017 -2.544 1.029) 2.744 6.213 ( 0.871 0.165 -0.160) 0.901 6.648 ( 12.654 -8.650 1.925) 15.449 6.704 ( -9.679 -0.466 -0.430) 9.700 7.689 ( 8.290 -10.429 1.161) 13.373 8.150 ( 0.856 -26.215 -0.511) 26.234 9.077 ( 2.290 -9.270 -3.187) 10.066 9.131 ( 5.598 -16.820 2.887) 17.960 9.874 ( -9.854 6.379 0.698) 11.759 10.435 ( -6.982 7.784 -0.335) 10.462 11.327 ( -10.279 4.271 -1.027) 11.178 11.887 ( 7.918 -16.007 -0.138) 17.859 12.129 ( 0.143 0.900 0.295) 0.958 13.217 ( -3.506 -3.546 0.509) 5.012 13.565 ( 5.966 9.673 -2.089) 11.556 15.097 ( -2.283 -20.384 -0.050) 20.512 16.049 ( -3.430 14.921 -0.862) 15.334 16.688 ( -8.927 -3.033 3.206) 9.958 17.742 ( -10.075 -9.835 2.172) 14.246 18.901 ( 0.183 -7.510 -5.035) 9.043 20.346 ( 10.131 8.129 2.867) 13.302 21.771 ( -1.355 -7.867 -1.185) 8.071 22.569 ( 7.154 10.847 0.454) 13.002 ======================= Grid point 420 (183/267) ======================= q-point: ( 0.50 0.07 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 1.484 -1.946 -2.348) 3.391 2.521 ( 0.237 -1.316 -0.636) 1.481 2.927 ( 1.830 -2.242 -0.667) 2.970 3.107 ( 1.859 2.869 -2.349) 4.148 3.651 ( -1.477 -6.507 2.041) 6.977 3.884 ( 6.755 -9.758 -2.508) 12.130 4.046 ( 5.634 6.532 -0.274) 8.630 4.342 ( -0.232 -1.426 -1.600) 2.156 4.897 ( -4.731 -1.426 3.314) 5.950 5.279 ( -0.670 -4.965 -3.954) 6.382 5.433 ( -1.923 -8.607 5.746) 10.526 5.601 ( -1.762 -1.104 -0.275) 2.097 5.794 ( -2.523 -1.215 -1.434) 3.147 5.899 ( 5.295 -2.237 -1.447) 5.928 6.216 ( -1.847 -0.573 1.962) 2.755 6.686 ( -4.593 -2.832 0.451) 5.414 6.800 ( 5.453 -0.988 0.990) 5.630 7.865 ( 2.663 -3.470 2.942) 5.272 8.488 ( 2.512 -9.989 -1.150) 10.364 9.347 ( 3.029 -14.500 -0.090) 14.814 9.458 ( 0.767 -15.877 -1.911) 16.010 9.828 ( 2.067 -7.500 3.040) 8.353 10.190 ( -4.814 14.223 -1.495) 15.090 10.959 ( -9.187 20.498 -1.311) 22.501 12.112 ( -12.258 -10.219 -0.159) 15.959 12.317 ( 13.790 -8.499 0.558) 16.208 13.266 ( -4.194 -3.957 0.246) 5.771 13.446 ( 4.669 6.711 -1.651) 8.340 15.378 ( 0.787 -11.000 2.591) 11.328 15.795 ( -2.648 9.822 -3.356) 10.712 16.715 ( -5.777 -5.041 2.637) 8.108 17.846 ( -3.928 -6.832 0.678) 7.910 18.985 ( -1.221 -3.276 -1.983) 4.019 20.274 ( 5.122 6.367 0.708) 8.202 21.894 ( -1.131 -6.728 -1.218) 6.930 22.418 ( 4.598 10.375 1.098) 11.401 ======================= Grid point 421 (184/267) ======================= q-point: (-0.43 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( -0.597 1.170 -2.059) 2.442 2.547 ( 2.211 -0.904 0.016) 2.388 2.940 ( -0.340 2.155 0.302) 2.202 3.065 ( 0.486 0.838 -3.021) 3.173 3.753 ( -0.522 -4.372 1.904) 4.797 3.948 ( 2.995 6.766 0.960) 7.461 4.028 ( 9.551 0.548 -7.153) 11.945 4.343 ( -0.629 0.369 0.504) 0.886 4.907 ( -2.783 -2.052 4.259) 5.486 5.296 ( -2.237 1.218 -2.552) 3.605 5.548 ( -2.698 -1.761 1.394) 3.511 5.598 ( -1.018 -1.060 1.833) 2.349 5.765 ( -3.244 -0.296 -3.051) 4.464 5.979 ( 9.789 -0.922 -1.843) 10.003 6.207 ( -3.269 0.257 3.326) 4.671 6.694 ( -1.408 1.860 1.317) 2.679 6.818 ( 1.029 0.056 0.902) 1.369 7.835 ( -7.633 4.740 2.250) 9.263 8.614 ( 6.873 -1.223 -1.068) 7.062 9.465 ( 2.103 0.586 0.451) 2.229 9.798 ( 1.584 21.272 0.120) 21.331 9.843 ( 2.677 -17.875 -2.763) 18.284 10.012 ( -3.350 -2.037 0.968) 4.039 10.763 ( 2.159 -10.416 -0.575) 10.653 12.086 ( -15.720 2.007 0.088) 15.848 12.488 ( 11.058 1.050 0.534) 11.120 13.276 ( -5.218 -1.409 -0.980) 5.493 13.393 ( 3.312 2.662 -0.399) 4.268 15.508 ( -0.914 -0.281 0.386) 1.032 15.665 ( 0.046 -0.274 -0.177) 0.329 16.790 ( -0.942 -5.216 1.248) 5.445 17.935 ( 1.059 -4.030 -0.560) 4.205 18.998 ( -1.718 0.492 0.575) 1.878 20.195 ( -0.257 4.191 -0.664) 4.251 21.979 ( 0.267 -2.366 -0.955) 2.566 22.284 ( -0.092 5.373 0.941) 5.455 ======================= Grid point 422 (185/267) ======================= q-point: (-0.36 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( -1.405 4.727 -1.574) 5.176 2.570 ( 3.277 1.592 0.201) 3.649 2.872 ( -2.142 3.162 1.711) 4.185 3.047 ( 0.359 2.068 -4.180) 4.677 3.746 ( 0.037 7.117 2.261) 7.468 3.879 ( 5.372 2.958 -2.068) 6.472 4.021 ( 5.289 2.675 -5.860) 8.334 4.318 ( -1.096 2.575 1.633) 3.240 4.944 ( -1.550 -2.178 5.053) 5.717 5.195 ( -3.379 6.940 -0.829) 7.763 5.470 ( -5.376 5.870 0.172) 7.961 5.574 ( 0.965 3.859 -3.642) 5.394 5.790 ( -2.743 -4.067 -0.052) 4.906 6.062 ( 9.945 0.252 -2.946) 10.375 6.180 ( 0.165 1.897 5.093) 5.437 6.557 ( -6.876 9.766 1.182) 12.002 6.844 ( 2.012 -0.745 1.339) 2.529 7.653 ( -9.805 7.441 1.370) 12.384 8.601 ( 8.325 10.072 -0.921) 13.099 9.257 ( -2.115 18.730 -0.493) 18.856 9.396 ( -2.400 21.270 0.364) 21.408 9.992 ( 9.096 -8.414 -3.646) 12.916 10.301 ( 2.416 -18.807 1.841) 19.050 11.180 ( 6.727 -22.363 0.303) 23.355 11.823 ( -17.424 11.237 0.068) 20.733 12.431 ( 7.491 12.466 0.151) 14.544 13.256 ( -4.036 -0.300 -0.678) 4.104 13.381 ( 0.583 -0.415 -0.521) 0.885 15.395 ( -0.401 8.141 -4.063) 9.107 15.808 ( 1.420 -11.192 4.793) 12.258 16.887 ( 3.958 -3.963 0.107) 5.602 18.008 ( 4.927 -1.988 -2.232) 5.763 18.943 ( -1.335 4.852 3.452) 6.102 20.118 ( -5.784 1.557 -2.148) 6.363 21.944 ( 2.827 7.003 0.714) 7.586 22.266 ( -5.686 -5.391 -0.444) 7.848 ======================= Grid point 423 (186/267) ======================= q-point: (-0.29 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -0.958 9.631 -0.795) 9.711 2.503 ( 0.269 7.465 0.392) 7.480 2.811 ( -1.545 4.621 2.601) 5.523 2.954 ( 1.468 6.788 -5.543) 8.886 3.581 ( 0.384 9.739 0.573) 9.764 3.847 ( 9.159 6.514 -4.414) 12.075 4.025 ( 0.381 -1.185 -0.205) 1.262 4.233 ( -3.673 4.795 1.946) 6.346 4.934 ( -2.176 6.058 0.196) 6.440 5.037 ( -5.494 3.939 3.664) 7.689 5.278 ( -4.745 10.205 0.466) 11.264 5.495 ( 2.346 4.418 -5.412) 7.370 5.819 ( -1.154 1.316 -0.324) 1.780 6.051 ( -0.804 4.870 -1.873) 5.279 6.134 ( -0.222 7.454 4.485) 8.702 6.339 ( 4.889 8.058 0.778) 9.457 6.865 ( -1.714 -1.003 1.248) 2.346 7.417 ( -9.077 12.503 1.198) 15.497 8.322 ( 9.392 26.853 -0.122) 28.448 8.985 ( -2.638 9.549 2.920) 10.328 9.039 ( -1.148 12.840 -4.942) 13.806 10.233 ( 13.717 -5.509 -1.913) 14.905 10.633 ( 4.570 -15.023 1.699) 15.794 11.189 ( -16.716 18.085 0.670) 24.636 11.775 ( 3.425 -7.275 -0.240) 8.045 12.228 ( 2.542 6.416 -1.015) 6.975 13.235 ( -1.730 -0.428 -0.283) 1.805 13.425 ( -2.257 -4.940 -0.755) 5.483 15.228 ( 4.694 10.603 -4.868) 12.576 16.081 ( 0.786 -16.302 4.961) 17.058 16.989 ( 8.134 -2.383 -0.474) 8.489 18.065 ( 5.669 -0.638 -5.638) 8.021 18.814 ( 1.590 10.720 7.872) 13.394 20.039 ( -12.324 -0.567 -4.885) 13.269 21.820 ( 3.065 8.260 2.546) 9.171 22.349 ( -6.888 -8.022 -0.899) 10.611 ======================= Grid point 424 (187/267) ======================= q-point: (-0.21 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 0.951 14.827 0.210) 14.859 2.315 ( -5.039 12.075 5.898) 14.352 2.604 ( 1.410 15.993 -5.724) 17.045 2.855 ( 1.550 6.007 -4.359) 7.582 3.416 ( -0.223 9.171 -0.681) 9.199 3.722 ( 6.573 13.834 0.563) 15.327 4.048 ( -1.850 -1.506 2.458) 3.425 4.141 ( -3.982 1.495 0.641) 4.301 4.729 ( -3.969 10.764 -2.643) 11.773 4.914 ( -3.633 9.224 2.177) 10.150 5.098 ( -2.806 6.862 0.637) 7.441 5.423 ( 3.824 7.446 -2.639) 8.777 5.588 ( -7.457 15.477 -3.673) 17.568 5.946 ( -4.503 0.418 1.453) 4.750 6.062 ( -1.349 2.138 1.868) 3.143 6.249 ( 17.539 16.963 1.486) 24.445 6.817 ( -1.438 9.624 0.616) 9.751 7.104 ( -12.749 7.434 1.235) 14.809 7.845 ( 10.146 30.834 0.123) 32.461 8.835 ( -2.022 3.488 1.634) 4.350 8.928 ( 2.245 2.630 -3.654) 5.030 10.235 ( 8.746 15.972 -0.361) 18.213 10.740 ( -15.863 14.387 0.181) 21.416 10.953 ( 5.382 -15.688 1.162) 16.626 11.657 ( 4.549 13.206 0.051) 13.968 12.432 ( 0.299 -18.973 -2.978) 19.208 13.258 ( -0.063 -3.050 -0.473) 3.087 13.507 ( -3.720 -6.111 -0.572) 7.177 15.053 ( 11.594 14.521 -6.971) 19.846 16.409 ( -0.372 -17.591 4.686) 18.208 17.090 ( 11.075 -1.033 -0.581) 11.138 18.045 ( -4.573 3.850 -10.927) 12.455 18.638 ( 14.003 15.673 13.494) 24.976 19.901 ( -23.233 1.053 -10.484) 25.510 21.747 ( 6.851 3.155 6.292) 9.822 22.433 ( -6.961 -6.710 -0.692) 9.693 ======================= Grid point 425 (188/267) ======================= q-point: (-0.14 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 3.345 16.426 2.415) 16.937 2.013 ( -11.774 16.624 16.818) 26.417 2.322 ( 6.885 14.086 -16.683) 22.894 2.635 ( -0.765 19.741 -6.648) 20.845 3.199 ( -0.606 15.030 7.066) 16.619 3.512 ( 1.388 9.717 -2.733) 10.189 4.065 ( -3.055 -1.399 3.757) 5.040 4.097 ( -1.678 2.883 -0.181) 3.340 4.495 ( -0.006 13.141 -2.226) 13.328 4.700 ( 3.021 16.283 1.744) 16.653 4.834 ( -4.869 22.047 -0.720) 22.590 5.138 ( -5.945 11.668 -7.425) 15.053 5.483 ( -2.768 -0.985 3.296) 4.416 5.803 ( 6.618 31.465 -3.257) 32.318 5.927 ( -1.298 0.627 2.301) 2.715 6.066 ( 0.393 3.320 -0.485) 3.378 6.582 ( 9.119 13.204 5.870) 17.087 6.935 ( -10.851 10.981 -1.931) 15.558 7.516 ( 6.656 6.669 0.463) 9.434 8.821 ( -1.265 -1.947 1.385) 2.704 8.908 ( 2.768 1.264 -2.716) 4.079 9.942 ( 5.342 16.688 0.972) 17.549 10.329 ( -11.032 21.661 -0.456) 24.313 11.282 ( 4.468 -15.577 0.970) 16.235 11.579 ( 2.207 -1.499 -0.103) 2.669 12.722 ( 0.060 -11.958 -6.360) 13.544 13.347 ( 0.828 -6.652 -0.586) 6.729 13.579 ( -3.342 -4.617 -0.541) 5.725 14.782 ( 14.763 26.530 -11.949) 32.628 16.697 ( -0.464 -12.188 4.605) 13.037 17.187 ( 11.841 -0.744 -0.700) 11.885 17.720 ( -20.029 19.701 -7.381) 29.048 18.582 ( 30.276 11.108 9.361) 33.580 19.549 ( -38.619 10.597 -16.173) 43.189 21.904 ( 14.371 -11.426 10.815) 21.308 22.480 ( -7.057 -4.042 -0.373) 8.141 ======================= Grid point 426 (189/267) ======================= q-point: (-0.07 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 3.710 10.266 7.071) 13.006 1.663 ( -15.534 13.780 23.404) 31.288 2.082 ( 0.548 36.728 -5.965) 37.214 2.140 ( 10.744 8.602 -20.428) 24.632 2.934 ( 1.796 17.487 12.995) 21.861 3.359 ( -2.542 7.305 -11.154) 13.574 3.791 ( -1.673 45.816 0.241) 45.847 4.053 ( 3.029 20.539 2.214) 20.879 4.104 ( -2.202 2.748 1.202) 3.721 4.331 ( 0.876 16.430 -7.153) 17.941 4.526 ( 3.596 10.721 4.113) 12.033 4.938 ( -5.727 4.714 -8.204) 11.060 5.292 ( -2.241 13.625 2.254) 13.991 5.624 ( -1.739 -8.045 0.634) 8.255 5.905 ( 0.418 2.089 1.367) 2.531 6.031 ( 0.744 1.065 0.552) 1.412 6.462 ( 10.646 15.199 7.543) 20.031 6.604 ( -7.170 8.273 -4.127) 11.700 7.626 ( 2.170 -9.665 -0.667) 9.928 8.861 ( -4.692 -2.936 1.629) 5.770 8.903 ( 4.168 1.016 -2.139) 4.794 9.784 ( 10.310 7.475 1.857) 12.869 9.823 ( -10.673 23.468 -0.919) 25.797 11.563 ( -1.487 -12.884 1.148) 13.020 11.674 ( 0.090 -6.310 -0.191) 6.314 12.686 ( 2.989 25.952 -19.163) 32.398 13.507 ( -0.241 -10.454 -0.406) 10.464 13.613 ( 0.121 -0.045 -1.192) 1.199 14.155 ( 3.319 42.359 -12.849) 44.389 16.820 ( -3.213 0.213 4.563) 5.585 17.120 ( -2.011 27.282 -2.509) 27.471 17.301 ( 2.113 -4.583 -0.309) 5.056 18.660 ( 18.598 7.227 2.694) 20.134 18.939 ( -30.487 17.421 -9.350) 36.337 22.422 ( 12.669 -30.076 8.950) 33.841 22.476 ( -4.571 -0.883 -0.613) 4.695 ======================= Grid point 429 (190/267) ======================= q-point: ( 0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -12.693 -0.000 -1.862) 12.829 1.129 ( 13.312 0.000 -1.429) 13.388 1.769 ( 24.998 0.000 8.117) 26.283 1.811 ( -4.640 -0.000 1.670) 4.931 2.289 ( 3.094 0.000 -1.005) 3.253 2.706 ( 2.673 0.000 0.862) 2.809 2.873 ( 25.489 0.000 -0.874) 25.504 3.522 ( 1.370 0.000 -8.739) 8.845 3.737 ( -4.436 -0.000 -0.568) 4.472 4.213 ( 2.131 0.000 -0.012) 2.131 4.397 ( -6.202 -0.000 -7.198) 9.501 4.935 ( 7.629 0.000 10.757) 13.188 5.128 ( 0.256 0.000 0.126) 0.286 5.635 ( -14.621 -0.000 4.466) 15.288 5.924 ( -2.287 -0.000 -3.422) 4.115 5.976 ( -10.042 -0.000 -2.610) 10.375 6.476 ( -3.329 -0.000 1.623) 3.703 6.729 ( 3.051 0.000 -0.010) 3.051 6.807 ( -0.079 -0.000 -0.425) 0.433 8.816 ( 5.919 0.000 -1.335) 6.068 8.995 ( 2.619 0.000 0.510) 2.669 9.440 ( 5.823 0.000 -0.741) 5.870 9.772 ( -4.877 -0.000 0.042) 4.878 10.998 ( 32.159 0.000 5.577) 32.639 11.625 ( -15.663 -0.000 1.075) 15.700 11.833 ( 8.156 0.000 -6.306) 10.309 13.503 ( -5.393 -0.000 0.150) 5.395 13.821 ( 0.556 0.000 -0.055) 0.559 13.897 ( 9.875 0.000 -0.604) 9.894 16.578 ( -0.014 -0.000 0.072) 0.074 16.891 ( -31.578 -0.000 -11.264) 33.527 17.432 ( 0.062 0.000 -0.041) 0.074 17.602 ( 17.892 0.000 12.635) 21.903 20.249 ( 56.446 0.000 27.917) 62.972 21.902 ( -32.566 -0.000 -4.688) 32.901 23.217 ( -3.284 -0.000 -16.498) 16.821 ======================= Grid point 430 (191/267) ======================= q-point: ( 0.21 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 0.294 -2.613 -3.065) 4.039 1.497 ( 12.719 -23.529 2.593) 26.872 1.976 ( 16.278 -8.112 4.362) 18.703 2.296 ( 4.547 -11.082 -0.035) 11.978 2.562 ( -3.576 -46.007 -0.383) 46.147 3.029 ( 11.869 -17.250 -5.367) 21.615 3.220 ( 6.150 -23.065 6.249) 24.675 3.705 ( -2.630 -23.579 -5.632) 24.385 3.784 ( -1.962 -10.234 -0.766) 10.448 4.224 ( 2.317 0.424 -0.230) 2.367 4.390 ( -1.983 -4.385 -3.147) 5.750 5.033 ( 7.311 -2.551 7.107) 10.510 5.153 ( 1.074 -2.601 1.318) 3.108 5.517 ( -9.660 3.027 4.411) 11.042 5.818 ( -12.591 -0.645 -3.908) 13.200 5.999 ( 1.892 -3.325 0.322) 3.839 6.346 ( 5.295 7.741 -3.636) 10.059 6.583 ( 2.416 1.527 2.067) 3.528 7.226 ( -6.834 -19.130 -1.290) 20.355 8.787 ( 5.114 3.814 0.210) 6.383 9.003 ( 4.427 2.046 0.173) 4.879 9.446 ( 6.391 -2.673 0.116) 6.929 10.081 ( -2.372 -24.907 -1.350) 25.056 11.201 ( -6.757 0.270 2.364) 7.164 11.495 ( -15.160 0.463 1.786) 15.272 12.109 ( 14.966 -25.681 -6.185) 30.361 13.382 ( -7.682 8.113 0.414) 11.181 13.727 ( 0.428 7.264 0.317) 7.283 13.981 ( 11.062 0.863 -0.879) 11.130 16.581 ( -1.574 -1.712 0.341) 2.350 16.812 ( -40.074 -19.388 -3.052) 44.622 17.350 ( -1.131 8.360 1.964) 8.662 17.859 ( 23.324 -8.546 0.302) 24.843 20.670 ( 43.880 3.407 30.658) 53.638 21.618 ( -29.459 2.943 -7.531) 30.549 23.099 ( 4.087 6.962 -14.128) 16.272 ======================= Grid point 431 (192/267) ======================= q-point: ( 0.29 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 12.017 -16.058 -2.130) 20.169 1.980 ( 14.577 -13.514 12.035) 23.237 2.285 ( 8.666 -16.311 -7.515) 19.940 2.476 ( 5.412 -8.781 -1.523) 10.427 3.123 ( -7.190 -15.585 3.143) 17.449 3.293 ( 8.922 -7.772 -3.239) 12.267 3.811 ( -6.393 -26.092 -6.993) 27.759 3.961 ( -4.735 -20.890 6.160) 22.288 4.230 ( 4.621 -3.760 0.343) 5.967 4.412 ( -0.210 -38.875 -1.211) 38.894 4.536 ( 2.465 -14.716 0.143) 14.922 5.118 ( -1.458 -2.667 2.880) 4.188 5.252 ( 0.726 -3.931 1.171) 4.165 5.480 ( 4.093 -2.882 6.872) 8.502 5.882 ( -5.377 -18.132 -3.640) 19.260 6.104 ( 4.837 -5.171 1.336) 7.205 6.301 ( 3.664 0.594 -4.498) 5.831 6.621 ( -3.139 -4.993 0.145) 5.900 7.373 ( -1.611 -4.191 -1.454) 4.719 8.789 ( 2.868 0.617 2.131) 3.626 8.994 ( 5.385 2.653 -0.748) 6.050 9.643 ( 5.665 -12.706 0.351) 13.916 10.516 ( 7.292 -20.528 -0.997) 21.808 10.966 ( -18.607 10.647 0.512) 21.444 11.392 ( -11.268 -0.104 0.310) 11.272 12.715 ( -2.304 -27.957 -3.950) 28.328 13.127 ( -12.097 10.188 0.049) 15.816 13.667 ( -1.044 -3.945 0.687) 4.138 14.008 ( 11.129 4.781 -0.696) 12.132 16.602 ( -1.730 -0.474 2.380) 2.980 16.924 ( -40.229 -23.741 2.393) 46.773 17.133 ( -1.016 13.574 -0.152) 13.613 18.205 ( 16.957 -12.725 -5.846) 21.992 20.831 ( 20.626 11.865 22.152) 32.511 21.435 ( -11.859 -3.296 -6.380) 13.864 22.999 ( 8.948 6.889 -7.839) 13.747 ======================= Grid point 432 (193/267) ======================= q-point: ( 0.36 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 13.494 -15.960 -2.246) 21.020 2.262 ( 11.469 -6.116 9.015) 15.818 2.629 ( 9.523 -15.787 -7.301) 19.830 2.684 ( 3.193 -9.414 0.304) 9.946 3.271 ( -7.088 -9.199 0.689) 11.634 3.446 ( 5.262 -3.612 -0.226) 6.386 3.973 ( -8.291 -9.243 -4.820) 13.319 4.189 ( 2.332 -2.023 -1.519) 3.441 4.534 ( -5.090 -25.651 2.148) 26.239 4.694 ( 1.771 -7.403 4.849) 9.026 5.118 ( -5.546 -7.735 1.282) 9.604 5.164 ( -3.832 -23.735 -1.960) 24.122 5.305 ( 2.524 -4.009 -1.600) 5.000 5.657 ( 5.038 -7.465 6.184) 10.924 6.221 ( 9.487 -2.339 -0.031) 9.772 6.303 ( 10.082 -6.899 1.539) 12.313 6.528 ( -3.405 -41.693 -3.661) 41.992 6.666 ( -8.237 -3.715 -0.728) 9.065 7.485 ( 8.312 -7.990 -1.545) 11.633 8.810 ( 1.645 -1.389 3.280) 3.924 8.986 ( 5.131 1.952 -1.508) 5.693 9.906 ( -0.469 -10.445 0.573) 10.471 10.638 ( -19.302 7.372 0.274) 20.664 10.866 ( 2.443 -11.533 -0.549) 11.802 11.431 ( 4.390 -9.897 -0.542) 10.841 12.707 ( -3.960 18.514 0.362) 18.936 13.071 ( -13.576 -9.525 -1.727) 16.673 13.867 ( 0.725 -5.266 -3.150) 6.179 14.059 ( 2.383 -16.448 2.004) 16.740 16.562 ( -3.094 5.049 5.073) 7.798 16.783 ( -12.317 11.785 -0.157) 17.048 17.161 ( -21.818 -20.837 -0.033) 30.170 18.516 ( 8.956 -12.121 -6.157) 16.280 20.730 ( 9.391 12.259 9.193) 17.972 21.491 ( -1.161 -6.791 -1.106) 6.978 22.922 ( 8.718 8.046 -2.670) 12.161 ======================= Grid point 433 (194/267) ======================= q-point: ( 0.43 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 8.477 -8.142 -1.720) 11.879 2.432 ( 7.172 -3.547 3.647) 8.793 2.819 ( 2.215 -4.090 0.656) 4.697 2.985 ( 11.421 -13.963 -5.923) 18.986 3.391 ( -4.672 -8.522 1.543) 9.840 3.525 ( 2.751 -3.687 1.987) 5.011 4.084 ( -5.000 -8.873 -3.683) 10.830 4.224 ( 4.432 -0.660 -4.946) 6.674 4.798 ( -5.423 -5.707 4.115) 8.883 4.920 ( -3.195 -16.775 7.914) 18.821 5.127 ( -4.396 -4.506 -5.856) 8.598 5.402 ( -5.165 -10.051 -1.908) 11.460 5.550 ( 6.959 -11.752 0.454) 13.666 5.790 ( 1.063 -3.772 3.706) 5.394 6.246 ( 2.666 1.834 -0.408) 3.261 6.518 ( -3.683 -7.450 0.762) 8.346 6.658 ( 3.707 -4.906 0.316) 6.157 7.351 ( 8.763 -37.043 -0.924) 38.077 7.761 ( 8.599 -15.212 -0.210) 17.476 8.919 ( 1.971 -8.731 1.197) 9.031 9.012 ( 5.562 -2.095 -0.047) 5.944 9.906 ( -10.629 4.813 0.478) 11.678 10.466 ( -8.675 1.788 0.481) 8.870 11.048 ( -13.974 -15.683 -1.080) 21.033 11.753 ( 17.300 -12.309 -0.265) 21.233 12.311 ( -5.367 18.292 0.216) 19.064 13.107 ( -8.402 -4.804 -0.087) 9.679 13.793 ( 6.346 9.906 -2.378) 12.002 14.576 ( -3.886 -32.412 0.841) 32.655 16.309 ( -6.303 16.758 0.061) 17.904 16.610 ( -7.117 0.807 2.435) 7.565 17.391 ( -15.493 -18.822 0.635) 24.387 18.744 ( 3.339 -9.300 -4.308) 10.779 20.601 ( 8.191 10.570 3.705) 13.876 21.621 ( 0.039 -7.688 -0.626) 7.713 22.813 ( 6.988 9.970 0.003) 12.175 ======================= Grid point 434 (195/267) ======================= q-point: ( 0.50 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 3.356 -3.013 -1.042) 4.629 2.516 ( 4.275 -0.848 1.532) 4.620 2.893 ( 2.289 -2.828 -1.104) 3.802 3.160 ( 4.188 0.330 -2.775) 5.035 3.527 ( 0.540 -7.473 1.547) 7.650 3.715 ( 5.920 -12.778 0.689) 14.100 4.162 ( 3.362 -0.315 -0.560) 3.422 4.271 ( 0.553 -3.912 -7.240) 8.248 4.831 ( -6.230 -2.464 5.004) 8.362 5.135 ( -2.093 -7.957 0.176) 8.230 5.233 ( -5.367 -11.881 0.807) 13.062 5.519 ( -3.935 -6.017 -1.228) 7.294 5.734 ( 1.807 -4.188 -1.378) 4.765 5.876 ( 5.803 -4.000 0.976) 7.116 6.221 ( -0.141 1.691 1.170) 2.061 6.548 ( -8.583 -5.996 0.438) 10.479 6.834 ( 9.373 -3.074 0.961) 9.911 7.805 ( 6.723 -8.498 1.810) 10.986 8.207 ( 6.369 -23.774 0.055) 24.613 9.092 ( 1.991 -11.253 -2.852) 11.778 9.225 ( 4.818 -13.405 2.337) 14.435 9.750 ( -7.055 0.524 1.194) 7.174 10.350 ( -4.068 6.986 -0.424) 8.096 11.124 ( -15.859 0.722 -1.024) 15.909 11.896 ( -4.814 0.465 -0.273) 4.844 12.241 ( 12.816 -9.440 0.306) 15.921 13.143 ( -6.867 -5.189 0.381) 8.616 13.640 ( 5.240 10.476 -2.126) 11.905 15.081 ( -0.430 -23.323 1.854) 23.401 15.977 ( -5.097 13.776 -3.384) 15.074 16.589 ( -6.393 -3.064 3.465) 7.891 17.610 ( -8.367 -14.670 0.589) 16.899 18.887 ( 0.131 -6.018 -2.280) 6.437 20.475 ( 6.302 9.949 1.280) 11.846 21.758 ( -0.004 -7.342 -1.072) 7.420 22.663 ( 5.224 11.518 1.088) 12.694 ======================= Grid point 435 (196/267) ======================= q-point: ( 0.57 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 0.263 -0.348 -1.036) 1.124 2.557 ( 4.309 -0.466 2.147) 4.836 2.949 ( 1.897 -1.633 -2.157) 3.304 3.110 ( 0.096 4.352 -1.766) 4.698 3.664 ( 1.935 -6.042 2.183) 6.709 3.951 ( 2.996 -6.414 -0.981) 7.147 4.168 ( 11.594 3.978 -5.087) 13.271 4.318 ( -1.485 -2.593 -2.136) 3.673 4.846 ( -4.609 -2.791 5.251) 7.524 5.223 ( -4.426 -5.218 -4.607) 8.249 5.423 ( -2.207 -10.117 4.694) 11.369 5.558 ( -3.560 -1.929 0.436) 4.072 5.742 ( -3.060 0.708 -3.537) 4.731 6.009 ( 9.917 -3.277 -2.159) 10.665 6.195 ( -2.356 0.591 3.012) 3.869 6.634 ( -2.619 -6.558 1.843) 7.299 6.878 ( 4.118 3.054 0.679) 5.172 7.868 ( -3.346 2.890 2.869) 5.271 8.565 ( 7.438 -10.296 -0.543) 12.713 9.396 ( 3.367 -12.773 1.257) 13.269 9.456 ( 0.673 -17.245 -2.602) 17.453 9.885 ( 1.639 -12.132 2.571) 12.510 10.143 ( 1.012 13.844 -1.177) 13.931 10.810 ( -10.321 15.117 -1.256) 18.348 11.921 ( -12.813 -7.067 -0.162) 14.633 12.511 ( 12.040 -7.095 0.537) 13.985 13.183 ( -6.692 -4.192 -0.099) 7.898 13.504 ( 3.910 7.131 -1.591) 8.287 15.404 ( 0.761 -11.355 3.728) 11.976 15.735 ( -3.017 8.303 -4.610) 9.965 16.648 ( -4.674 -7.108 2.275) 8.806 17.800 ( -2.684 -10.430 0.202) 10.772 18.960 ( -1.325 -2.972 -0.383) 3.277 20.335 ( 3.011 9.364 -0.127) 9.837 21.879 ( -0.336 -6.375 -1.361) 6.528 22.481 ( 3.209 12.067 1.399) 12.565 ======================= Grid point 436 (197/267) ======================= q-point: (-0.36 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -0.534 1.757 -0.997) 2.090 2.612 ( 5.483 -0.561 3.051) 6.300 2.935 ( -0.511 3.981 -0.057) 4.014 3.053 ( 0.051 0.488 -4.558) 4.584 3.776 ( 2.084 -3.587 2.608) 4.900 3.964 ( -0.251 4.062 1.096) 4.215 4.153 ( 8.701 4.996 -11.729) 15.435 4.345 ( 2.094 0.219 1.874) 2.819 4.892 ( -2.278 -3.369 6.581) 7.736 5.231 ( -4.397 0.041 -3.744) 5.775 5.505 ( -3.563 1.747 0.244) 3.976 5.593 ( -1.404 -3.980 2.739) 5.032 5.690 ( -3.591 -0.625 -4.607) 5.875 6.110 ( 6.713 -0.236 -3.477) 7.563 6.195 ( 1.356 -1.909 4.856) 5.391 6.678 ( -1.633 3.844 1.768) 4.535 6.842 ( 1.442 0.717 1.191) 2.003 7.717 ( -8.838 7.332 2.522) 11.757 8.721 ( 7.283 -1.379 -1.249) 7.516 9.511 ( 3.478 4.749 0.808) 5.942 9.828 ( 2.332 21.190 -0.335) 21.321 9.875 ( 3.265 -15.815 -2.868) 16.401 9.955 ( -5.035 -6.113 1.861) 8.135 10.807 ( 3.927 -19.621 -0.409) 20.014 11.860 ( -14.379 3.926 0.152) 14.907 12.628 ( 7.705 2.968 0.411) 8.268 13.194 ( -5.206 -2.333 -0.785) 5.758 13.430 ( 2.066 3.764 -0.820) 4.371 15.487 ( -1.548 3.347 -0.652) 3.745 15.672 ( 0.594 -5.036 0.910) 5.152 16.776 ( -1.406 -8.641 0.847) 8.795 17.949 ( 1.198 -6.679 -0.700) 6.822 18.978 ( -1.409 -0.070 1.720) 2.225 20.182 ( -0.800 8.018 -1.380) 8.175 21.977 ( 0.123 -4.650 -1.113) 4.783 22.289 ( 0.144 10.055 1.191) 10.127 ======================= Grid point 437 (198/267) ======================= q-point: (-0.29 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 0.537 4.808 -0.583) 4.873 2.632 ( 4.138 4.371 1.378) 6.175 2.858 ( -0.982 2.543 2.957) 4.022 3.032 ( 0.522 1.855 -6.135) 6.431 3.770 ( 1.494 8.376 2.284) 8.810 3.911 ( 0.252 -0.645 1.446) 1.603 4.084 ( 4.889 4.149 -9.915) 11.808 4.312 ( 0.758 5.643 0.847) 5.757 4.943 ( -1.687 -1.572 6.670) 7.057 5.136 ( -3.387 6.471 -2.142) 7.612 5.390 ( -4.781 6.273 -0.762) 7.924 5.569 ( 0.275 3.898 -2.852) 4.837 5.746 ( -2.623 -5.810 0.036) 6.374 6.095 ( -0.991 2.079 -0.018) 2.304 6.305 ( 10.324 -0.372 1.830) 10.492 6.480 ( -3.955 11.357 0.700) 12.046 6.861 ( -0.414 0.400 1.569) 1.671 7.532 ( -7.233 7.097 2.228) 10.376 8.710 ( 6.267 8.808 -1.200) 10.877 9.232 ( -0.856 19.370 -0.861) 19.408 9.366 ( -1.519 24.313 -0.029) 24.360 10.133 ( 11.215 -14.275 -2.324) 18.302 10.313 ( -2.399 -20.840 1.939) 21.067 11.276 ( 6.418 -17.291 0.412) 18.449 11.583 ( -14.591 8.621 -0.176) 16.949 12.513 ( 3.764 13.989 -0.201) 14.488 13.199 ( -3.032 -1.607 -0.389) 3.454 13.387 ( 0.546 1.294 -0.837) 1.635 15.377 ( 0.056 6.064 -3.270) 6.889 15.842 ( 0.692 -11.429 3.810) 12.067 16.930 ( 1.722 -7.759 0.217) 7.951 18.052 ( 2.303 -3.208 -2.547) 4.699 18.955 ( 0.471 2.861 4.626) 5.459 20.027 ( -4.537 6.455 -3.112) 8.482 21.996 ( 3.676 6.106 1.540) 7.291 22.185 ( -5.048 -2.827 -1.006) 5.872 ======================= Grid point 438 (199/267) ======================= q-point: (-0.21 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 2.407 9.500 -0.533) 9.815 2.508 ( -0.342 10.267 1.367) 10.364 2.818 ( 0.920 5.629 2.408) 6.191 2.951 ( 1.243 5.396 -6.063) 8.211 3.589 ( 0.141 10.600 0.540) 10.615 3.941 ( 3.582 0.206 1.088) 3.749 4.053 ( 4.228 1.591 -4.893) 6.659 4.149 ( -7.126 9.228 0.660) 11.677 4.902 ( -1.824 8.591 0.995) 8.839 4.984 ( -2.271 4.484 1.481) 5.240 5.234 ( -1.695 7.822 1.163) 8.087 5.493 ( -0.025 3.177 -3.573) 4.781 5.802 ( -1.011 0.995 0.220) 1.435 6.007 ( -2.546 10.882 -0.470) 11.186 6.110 ( -1.643 8.968 1.756) 9.285 6.535 ( 14.884 -2.963 0.920) 15.204 6.790 ( -8.342 3.748 0.748) 9.176 7.321 ( -4.269 13.595 1.781) 14.360 8.427 ( 4.139 25.719 -0.126) 26.050 8.952 ( -3.620 11.243 3.722) 12.384 9.030 ( 2.855 9.560 -6.090) 11.688 10.445 ( 15.021 -6.961 -1.175) 16.597 10.637 ( -6.569 -16.993 1.406) 18.272 10.981 ( -8.840 24.721 1.128) 26.278 11.817 ( 1.994 -12.950 -0.661) 13.119 12.246 ( 0.684 9.961 -1.177) 10.053 13.210 ( -1.150 -1.760 -0.114) 2.105 13.403 ( -0.385 -3.087 -0.929) 3.246 15.266 ( 2.915 6.575 -4.673) 8.577 16.104 ( -0.356 -15.922 4.320) 16.502 17.076 ( 3.066 -6.090 0.312) 6.825 18.066 ( -1.330 2.045 -4.918) 5.490 18.916 ( 5.961 4.947 8.073) 11.188 19.852 ( -8.375 7.310 -6.005) 12.635 21.887 ( 3.659 7.010 3.388) 8.602 22.259 ( -4.130 -7.439 -1.617) 8.661 ======================= Grid point 439 (200/267) ======================= q-point: (-0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 3.636 14.361 -1.207) 14.863 2.273 ( -4.578 14.819 7.777) 17.351 2.616 ( 3.931 15.598 -6.925) 17.513 2.852 ( 0.343 6.947 -3.763) 7.909 3.414 ( 0.211 8.987 -0.632) 9.012 3.808 ( 2.004 18.865 1.417) 19.024 4.010 ( -4.611 -2.831 3.988) 6.722 4.085 ( -0.097 -1.879 -2.390) 3.041 4.686 ( -0.231 11.643 -1.423) 11.732 4.910 ( 2.009 5.160 1.054) 5.636 5.072 ( -0.902 10.434 0.639) 10.492 5.450 ( -1.400 0.516 0.108) 1.496 5.489 ( -1.657 24.981 -2.446) 25.155 5.914 ( -0.820 -0.597 1.795) 2.062 6.060 ( 0.818 1.123 -0.072) 1.391 6.438 ( 2.365 23.509 0.758) 23.640 6.817 ( 1.464 -9.544 -0.524) 9.670 6.972 ( -1.789 20.779 1.694) 20.925 7.927 ( 0.787 28.774 -0.553) 28.790 8.804 ( -3.737 2.599 3.683) 5.855 8.954 ( 3.481 2.509 -5.122) 6.682 10.343 ( -0.114 25.387 0.670) 25.396 10.569 ( -0.254 5.949 -0.435) 5.970 11.003 ( -0.364 -16.346 1.429) 16.413 11.691 ( 0.055 13.537 -0.121) 13.537 12.424 ( 0.735 -18.538 -3.129) 18.815 13.254 ( -0.119 -3.705 -0.241) 3.715 13.477 ( 0.317 -5.037 -0.712) 5.097 15.132 ( 2.888 10.572 -7.797) 13.449 16.415 ( -1.688 -17.236 4.958) 18.014 17.184 ( -0.574 -4.067 0.543) 4.143 17.908 ( -5.303 11.535 -4.017) 13.316 18.909 ( 10.508 4.897 7.773) 13.958 19.582 ( -8.860 13.969 -8.434) 18.568 21.863 ( 3.535 -1.497 4.117) 5.629 22.361 ( -0.971 -6.000 -1.046) 6.168 ======================= Grid point 440 (201/267) ======================= q-point: (-0.07 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 2.653 15.698 -1.805) 16.023 1.937 ( -8.344 19.175 17.697) 27.395 2.370 ( 8.944 12.838 -15.121) 21.759 2.616 ( 1.643 19.981 -5.136) 20.696 3.241 ( 1.996 11.757 4.340) 12.690 3.499 ( -1.351 13.304 -2.095) 13.535 4.032 ( -2.021 0.662 4.822) 5.270 4.095 ( 0.975 1.186 0.903) 1.781 4.507 ( 1.835 8.434 -3.229) 9.215 4.727 ( 0.385 23.990 -0.678) 24.003 4.834 ( 3.888 14.945 2.031) 15.575 5.068 ( 1.407 16.179 -4.279) 16.795 5.446 ( -5.320 -0.756 6.516) 8.446 5.817 ( -1.704 29.247 -3.579) 29.515 5.950 ( 2.183 4.947 0.104) 5.408 6.057 ( -0.901 1.778 0.324) 2.019 6.651 ( -6.227 10.259 0.402) 12.008 6.900 ( 10.601 11.997 0.502) 16.017 7.536 ( -3.855 6.247 -1.131) 7.427 8.785 ( -4.468 -1.818 3.018) 5.690 8.934 ( 2.106 1.126 -3.505) 4.241 9.948 ( -5.665 16.203 0.506) 17.172 10.321 ( 10.735 22.034 0.172) 24.511 11.278 ( -5.645 -15.259 1.280) 16.320 11.579 ( -2.088 -1.529 -0.079) 2.589 12.713 ( 2.391 -11.344 -5.700) 12.919 13.343 ( -1.026 -6.617 -0.323) 6.703 13.579 ( 3.785 -4.487 -0.566) 5.897 14.788 ( -7.018 27.159 -12.811) 30.838 16.686 ( -4.234 -11.780 5.835) 13.811 17.180 ( -13.477 -0.169 -0.142) 13.479 17.623 ( 9.462 16.901 1.614) 19.437 18.784 ( -18.924 13.536 -7.203) 24.356 19.301 ( 25.542 14.854 4.586) 29.901 22.011 ( -6.633 -13.709 1.144) 15.273 22.474 ( 8.713 -4.915 0.031) 10.003 ======================= Grid point 444 (202/267) ======================= q-point: ( 0.21 0.21 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 7.951 0.000 -2.643) 8.379 1.314 ( 12.870 0.000 -3.666) 13.382 1.750 ( -4.234 -0.000 1.637) 4.540 2.119 ( 18.790 0.000 3.061) 19.038 2.345 ( 4.356 0.000 0.749) 4.420 2.749 ( 2.467 0.000 1.009) 2.666 3.167 ( 11.354 0.000 5.036) 12.421 3.510 ( 3.428 0.000 -9.870) 10.448 3.662 ( -5.241 -0.000 -0.728) 5.291 4.244 ( 2.018 0.000 -0.112) 2.021 4.334 ( -0.597 -0.000 0.585) 0.836 5.067 ( 4.666 0.000 1.557) 4.919 5.133 ( 0.334 0.000 0.039) 0.336 5.451 ( -12.992 -0.000 -1.451) 13.073 5.739 ( -8.728 -0.000 3.470) 9.393 6.010 ( 6.316 0.000 0.768) 6.363 6.448 ( -1.485 -0.000 0.861) 1.716 6.781 ( 3.899 0.000 0.017) 3.899 6.872 ( 7.947 0.000 -1.632) 8.112 8.863 ( 0.728 0.000 -0.236) 0.765 9.079 ( 8.537 0.000 -0.012) 8.537 9.512 ( 4.171 0.000 -0.439) 4.194 9.690 ( -6.244 -0.000 0.068) 6.244 11.187 ( -9.680 -0.000 1.029) 9.734 11.392 ( -11.073 -0.000 2.677) 11.392 12.032 ( 20.324 0.000 -4.614) 20.842 13.414 ( -6.708 -0.000 0.862) 6.763 13.830 ( 0.688 0.000 -0.118) 0.698 14.050 ( 10.633 0.000 -0.546) 10.647 16.277 ( -43.519 -0.000 -4.700) 43.772 16.578 ( -0.011 -0.000 0.202) 0.202 17.432 ( 0.040 0.000 -0.123) 0.130 17.949 ( 20.859 0.000 2.996) 21.073 21.067 ( 32.178 0.000 33.265) 46.281 21.409 ( -27.743 -0.000 -8.166) 28.920 23.155 ( 4.796 0.000 -14.630) 15.396 ======================= Grid point 445 (203/267) ======================= q-point: ( 0.29 0.21 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 19.142 -5.087 0.972) 19.830 1.689 ( 12.721 -25.529 -1.568) 28.565 2.173 ( 6.826 -13.778 4.197) 15.939 2.354 ( 3.423 -13.868 2.011) 14.425 2.533 ( 1.533 -30.293 -2.617) 30.444 3.134 ( 4.726 -25.890 -2.249) 26.414 3.289 ( -0.786 -12.475 3.978) 13.117 3.621 ( -5.761 -11.832 -3.002) 13.498 3.772 ( 1.203 -18.604 -3.196) 18.915 4.254 ( 2.036 0.294 -0.714) 2.178 4.396 ( 1.408 -6.127 5.296) 8.221 5.087 ( -0.776 -0.583 -0.715) 1.206 5.183 ( 0.620 -4.238 0.401) 4.302 5.388 ( -10.181 -5.965 -4.799) 12.738 5.687 ( -1.714 1.784 5.539) 6.066 6.096 ( 10.280 -2.720 2.076) 10.835 6.391 ( 2.102 4.534 -0.923) 5.082 6.648 ( 6.580 5.965 -0.672) 8.907 7.188 ( 1.492 -14.216 -1.559) 14.379 8.830 ( 0.257 2.045 0.522) 2.126 9.108 ( 9.206 3.435 0.336) 9.832 9.536 ( 5.301 -3.973 0.437) 6.639 10.011 ( -5.666 -31.114 -1.010) 31.641 10.992 ( -22.650 6.426 0.227) 23.545 11.323 ( -7.794 2.462 1.063) 8.242 12.301 ( 14.131 -14.118 -2.896) 20.184 13.278 ( -6.846 9.388 1.030) 11.665 13.737 ( 0.632 7.385 0.500) 7.429 14.136 ( 10.130 0.485 -0.607) 10.160 16.162 ( -43.009 -21.855 -3.697) 48.385 16.589 ( -0.672 -0.899 0.968) 1.483 17.345 ( -0.385 9.148 0.128) 9.157 18.155 ( 17.068 -6.168 0.115) 18.148 21.119 ( -14.623 5.940 9.966) 18.666 21.349 ( 12.289 -0.132 8.611) 15.006 23.141 ( 8.810 3.638 -9.186) 13.238 ======================= Grid point 446 (204/267) ======================= q-point: ( 0.36 0.21 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 21.014 -13.232 2.111) 24.923 2.231 ( 13.684 -17.289 5.215) 22.658 2.383 ( 8.465 -10.923 -4.791) 14.626 2.543 ( 3.969 -8.634 1.469) 9.616 3.026 ( -6.537 -14.151 0.423) 15.594 3.393 ( 5.534 -9.083 -1.102) 10.693 3.677 ( -7.332 -16.714 -6.718) 19.449 3.860 ( -10.672 -26.411 2.562) 28.601 4.267 ( 0.687 -2.468 -3.289) 4.169 4.396 ( -2.133 -40.314 2.104) 40.425 4.596 ( 3.457 -12.304 6.366) 14.278 5.078 ( -4.939 -0.414 0.754) 5.014 5.250 ( 1.693 -4.539 -1.713) 5.138 5.579 ( 1.435 -13.030 2.620) 13.369 5.766 ( -4.830 -19.467 -1.216) 20.094 6.256 ( 12.882 -3.869 1.435) 13.527 6.349 ( 2.995 1.461 -1.114) 3.514 6.637 ( 6.914 0.801 -0.559) 6.983 7.386 ( 4.280 -8.203 -2.015) 9.470 8.812 ( -0.873 0.212 1.567) 1.806 9.100 ( 8.678 4.580 0.124) 9.814 9.708 ( 2.354 -10.311 0.737) 10.602 10.504 ( -13.746 -11.867 -0.815) 18.178 10.768 ( -2.755 -6.257 -0.311) 6.843 11.227 ( -10.858 -4.157 0.016) 11.627 12.648 ( -3.549 -18.409 -2.272) 18.885 12.999 ( -6.287 15.774 0.985) 17.009 13.680 ( 1.870 -2.336 1.283) 3.256 14.155 ( 9.015 4.819 -0.323) 10.227 16.338 ( -39.183 -28.404 -2.007) 48.437 16.594 ( -0.788 0.272 1.998) 2.165 17.119 ( -0.500 13.785 -1.202) 13.846 18.396 ( 11.563 -8.422 -1.752) 14.412 20.937 ( -7.967 5.532 4.222) 10.578 21.436 ( 7.071 -0.221 5.609) 9.028 23.107 ( 8.821 6.043 -3.156) 11.148 ======================= Grid point 447 (205/267) ======================= q-point: ( 0.43 0.21 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 14.645 -9.983 1.060) 17.755 2.455 ( 10.575 -2.710 3.280) 11.399 2.745 ( 6.104 -9.934 2.518) 11.928 2.754 ( 9.227 -16.099 -4.985) 19.214 3.164 ( -7.676 -11.047 0.781) 13.474 3.523 ( 4.736 -1.369 0.882) 5.008 3.814 ( -9.149 -11.677 -7.118) 16.454 4.201 ( 0.154 -6.867 -1.603) 7.053 4.425 ( -8.670 -21.856 -1.074) 23.538 4.753 ( 0.520 -8.117 10.206) 13.051 5.019 ( -9.657 -16.456 -3.416) 19.384 5.049 ( -3.629 -8.278 -0.615) 9.059 5.434 ( 11.285 -10.516 -1.411) 15.490 5.733 ( 1.861 -4.589 6.140) 7.888 6.257 ( -14.239 -22.765 -2.709) 26.987 6.309 ( 2.427 2.177 -0.070) 3.261 6.508 ( 10.249 -14.577 -0.412) 17.824 6.817 ( 17.028 -18.895 0.756) 25.447 7.608 ( 10.220 -10.915 -1.590) 15.037 8.826 ( -0.707 -2.926 1.324) 3.288 9.080 ( 7.471 3.658 0.385) 8.327 9.867 ( -5.242 -3.715 0.919) 6.490 10.332 ( -21.830 -2.346 -0.103) 21.956 10.847 ( -3.532 2.425 -0.706) 4.342 11.566 ( 12.831 -24.284 -0.489) 27.470 12.625 ( -7.209 19.487 0.479) 20.784 12.868 ( -12.272 -12.430 -1.135) 17.504 13.878 ( 3.073 -11.742 -0.822) 12.166 14.141 ( 5.219 -3.121 1.713) 6.318 16.436 ( -23.770 -2.688 -0.049) 23.921 16.587 ( -3.912 -0.435 1.397) 4.177 16.972 ( -4.999 -6.272 -2.356) 8.359 18.611 ( 6.229 -8.239 -1.804) 10.485 20.813 ( 0.479 6.637 2.944) 7.276 21.514 ( 2.575 -4.096 1.019) 4.944 23.029 ( 6.554 8.383 0.112) 10.641 ======================= Grid point 448 (206/267) ======================= q-point: ( 0.50 0.21 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 6.329 -3.488 0.280) 7.232 2.556 ( 7.829 -0.451 1.574) 7.999 2.857 ( 2.392 -2.687 -0.349) 3.614 3.121 ( 9.028 -10.599 -2.567) 14.157 3.353 ( -1.253 -13.159 2.100) 13.384 3.579 ( 3.320 -4.228 2.188) 5.804 3.983 ( -5.136 -13.712 -5.896) 15.785 4.255 ( 2.905 -1.012 -6.692) 7.365 4.688 ( -10.044 -11.267 4.529) 15.759 4.951 ( 0.707 -12.234 8.099) 14.689 5.015 ( -6.989 -3.624 -3.829) 8.754 5.307 ( -4.618 -13.398 -3.074) 14.501 5.677 ( 7.115 -5.410 -1.090) 9.004 5.846 ( 5.588 -5.271 3.496) 8.440 6.270 ( 0.654 2.897 0.374) 2.993 6.358 ( -10.945 -7.158 -0.287) 13.081 6.798 ( 8.527 -8.626 0.515) 12.140 7.525 ( 13.969 -33.686 0.039) 36.467 7.887 ( 8.246 -12.401 0.774) 14.912 8.932 ( 0.648 -8.140 -1.810) 8.364 9.115 ( 6.933 -2.843 2.343) 7.851 9.735 ( -12.325 5.187 0.378) 13.378 10.358 ( -6.787 -5.154 0.813) 8.561 10.823 ( -14.738 -9.559 -1.269) 17.613 11.998 ( 14.508 -4.337 -0.355) 15.147 12.246 ( -2.067 10.245 0.190) 10.453 12.959 ( -11.541 -8.448 -0.056) 14.303 13.867 ( 5.116 9.899 -2.068) 11.333 14.559 ( 0.011 -31.359 2.446) 31.454 16.173 ( -10.761 12.838 -3.402) 17.094 16.548 ( -3.253 1.279 3.332) 4.829 17.206 ( -9.273 -20.737 -1.089) 22.742 18.775 ( 2.428 -6.668 -1.212) 7.199 20.696 ( 3.674 8.832 1.614) 9.701 21.628 ( 1.016 -6.739 -0.820) 6.864 22.901 ( 4.569 10.290 1.320) 11.336 ======================= Grid point 449 (207/267) ======================= q-point: ( 0.57 0.21 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 1.545 -0.559 -0.368) 1.684 2.605 ( 6.303 0.634 2.642) 6.863 2.914 ( 1.437 -2.647 -3.062) 4.294 3.190 ( 1.110 3.264 -0.124) 3.450 3.573 ( 4.217 -7.593 2.078) 8.931 3.793 ( 3.693 -12.767 0.075) 13.291 4.185 ( 0.121 -10.746 -1.499) 10.850 4.262 ( 3.559 0.705 -9.540) 10.207 4.761 ( -6.119 -4.061 6.318) 9.688 5.052 ( -6.994 -6.967 -5.424) 11.263 5.203 ( -0.846 -12.729 6.194) 14.181 5.457 ( -3.302 -6.940 -1.533) 7.837 5.727 ( -0.947 0.079 -1.536) 1.806 6.005 ( 9.926 -4.309 -0.727) 10.846 6.220 ( -0.622 2.720 1.235) 3.051 6.460 ( -4.405 -10.033 1.972) 11.133 6.936 ( 4.391 -1.098 0.387) 4.543 7.901 ( 4.926 -1.104 2.656) 5.704 8.308 ( 6.358 -23.975 0.367) 24.807 9.111 ( 1.975 -12.845 -2.171) 13.176 9.279 ( 1.621 -8.418 1.104) 8.643 9.687 ( -2.433 -8.291 1.189) 8.722 10.325 ( 1.445 5.513 -0.196) 5.702 10.872 ( -17.437 -3.012 -0.811) 17.714 11.811 ( -5.509 8.110 -0.416) 9.813 12.441 ( 13.507 -10.213 0.278) 16.936 13.024 ( -9.335 -7.109 0.257) 11.737 13.696 ( 3.626 10.919 -1.920) 11.664 15.096 ( 0.832 -24.431 2.916) 24.618 15.876 ( -5.683 11.347 -4.815) 13.573 16.531 ( -3.556 -2.019 3.246) 5.221 17.510 ( -5.284 -18.046 -0.308) 18.807 18.884 ( 0.297 -4.563 -0.475) 4.598 20.547 ( 3.140 10.566 0.493) 11.034 21.756 ( 0.369 -6.763 -1.354) 6.907 22.730 ( 3.154 11.926 1.555) 12.434 ======================= Grid point 450 (208/267) ======================= q-point: ( 0.64 0.21 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -0.091 0.486 -1.123) 1.227 2.656 ( 6.512 -0.286 4.687) 8.028 2.954 ( 0.498 -1.565 -4.935) 5.201 3.100 ( -0.566 5.648 -0.736) 5.724 3.721 ( 3.787 -5.109 3.927) 7.474 3.968 ( 0.002 -4.262 -0.928) 4.361 4.214 ( -1.604 1.694 -11.125) 11.367 4.367 ( 8.222 -3.701 1.049) 9.078 4.819 ( -2.055 -4.518 6.966) 8.554 5.118 ( -6.228 -6.261 -5.396) 10.349 5.417 ( -1.063 -10.277 3.537) 10.920 5.508 ( -3.103 -1.414 -0.057) 3.410 5.691 ( -1.781 1.751 -2.805) 3.756 6.143 ( 9.319 -3.115 -3.693) 10.497 6.172 ( -2.930 0.886 3.771) 4.857 6.622 ( -0.591 -7.774 2.487) 8.184 6.924 ( 1.859 4.259 0.521) 4.676 7.819 ( -4.354 8.617 3.385) 10.231 8.667 ( 5.979 -10.330 -0.774) 11.960 9.456 ( 0.734 -22.919 0.327) 22.933 9.458 ( 3.755 -10.732 -0.254) 11.373 9.861 ( -4.309 -4.677 -0.117) 6.360 10.238 ( 10.639 9.675 0.538) 14.391 10.647 ( -10.997 6.299 -1.360) 12.746 11.757 ( -8.676 -3.949 -0.107) 9.533 12.670 ( 9.005 -4.624 0.510) 10.136 13.079 ( -7.009 -5.526 -0.049) 8.925 13.543 ( 2.290 7.481 -1.655) 7.997 15.434 ( 0.928 -10.687 4.476) 11.623 15.671 ( -2.626 6.002 -5.286) 8.418 16.602 ( -2.763 -7.682 1.920) 8.387 17.770 ( -1.357 -13.108 -0.160) 13.179 18.947 ( -0.492 -2.505 0.455) 2.593 20.363 ( 1.153 11.189 -0.445) 11.257 21.870 ( -0.127 -6.028 -1.369) 6.183 22.523 ( 1.751 13.046 1.409) 13.238 ======================= Grid point 451 (209/267) ======================= q-point: (-0.29 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 0.730 1.338 -1.465) 2.114 2.720 ( 6.259 0.483 4.694) 7.838 2.924 ( -0.765 4.198 -0.965) 4.375 3.024 ( -0.951 0.452 -5.451) 5.552 3.831 ( 3.024 -2.940 4.504) 6.170 3.959 ( -1.066 4.024 0.652) 4.214 4.126 ( -3.646 2.896 -9.821) 10.869 4.427 ( 5.391 2.785 -0.623) 6.100 4.915 ( 1.902 -3.446 7.717) 8.663 5.144 ( -4.461 -1.731 -5.141) 7.023 5.453 ( -2.847 4.081 -0.416) 4.994 5.581 ( -1.408 -6.667 2.379) 7.218 5.643 ( -0.629 0.916 -3.127) 3.319 6.122 ( -1.600 1.881 1.284) 2.783 6.286 ( 6.034 -5.611 -0.878) 8.287 6.665 ( -0.915 6.068 1.682) 6.363 6.865 ( 0.727 1.049 1.062) 1.660 7.623 ( -5.095 8.300 3.537) 10.361 8.797 ( 3.710 -1.174 -2.014) 4.381 9.562 ( 2.623 12.791 0.282) 13.060 9.852 ( 0.589 9.525 -0.458) 9.555 9.885 ( -4.115 -13.418 3.231) 14.402 9.916 ( 2.794 -4.484 -3.036) 6.094 10.861 ( 3.007 -25.214 -0.669) 25.402 11.697 ( -6.809 6.169 0.341) 9.194 12.712 ( 3.306 5.168 0.081) 6.136 13.128 ( -3.054 -3.952 -0.011) 4.994 13.448 ( 1.141 4.406 -1.325) 4.741 15.464 ( -1.106 4.737 -0.475) 4.888 15.686 ( 0.734 -7.327 0.689) 7.396 16.761 ( -1.104 -10.292 0.898) 10.390 17.959 ( 0.488 -7.989 -0.698) 8.034 18.975 ( -0.012 -0.789 1.708) 1.882 20.164 ( -0.663 10.472 -1.379) 10.583 21.974 ( 0.036 -5.946 -1.020) 6.033 22.297 ( 0.126 12.602 1.100) 12.651 ======================= Grid point 452 (210/267) ======================= q-point: (-0.21 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 2.468 4.009 -2.008) 5.118 2.682 ( 1.525 7.974 0.230) 8.121 2.879 ( 1.806 0.960 4.503) 4.946 3.001 ( -0.679 0.894 -7.573) 7.655 3.792 ( -0.497 10.341 2.430) 10.635 3.921 ( -0.537 -1.527 3.685) 4.025 4.038 ( -4.516 0.738 -6.493) 7.943 4.345 ( 2.364 8.814 -2.225) 9.393 4.976 ( 2.816 0.899 6.348) 7.002 5.087 ( -1.063 4.513 -3.667) 5.911 5.338 ( -1.749 5.758 -0.112) 6.018 5.558 ( -0.369 4.310 -1.611) 4.616 5.724 ( -0.493 -6.168 0.669) 6.224 6.081 ( -1.153 2.008 1.159) 2.589 6.417 ( 2.552 15.686 1.135) 15.933 6.445 ( -0.606 -5.865 -1.371) 6.053 6.860 ( 0.164 2.450 1.213) 2.739 7.476 ( -1.652 6.698 3.266) 7.633 8.756 ( 0.590 8.291 -1.416) 8.431 9.226 ( 0.680 19.861 -1.311) 19.916 9.355 ( 0.241 25.199 -0.305) 25.202 10.238 ( -8.767 -20.115 1.972) 22.031 10.275 ( 8.191 -18.451 -1.486) 20.242 11.382 ( 5.101 -25.006 -0.445) 25.525 11.415 ( -4.663 17.955 0.308) 18.553 12.540 ( 0.121 14.824 -0.372) 14.829 13.170 ( -0.653 -2.172 0.303) 2.288 13.391 ( 0.741 1.797 -1.300) 2.339 15.366 ( 0.055 4.912 -2.437) 5.484 15.862 ( 0.129 -11.261 2.687) 11.578 16.939 ( -0.889 -9.296 0.806) 9.373 18.053 ( -0.726 -2.303 -1.519) 2.853 18.991 ( 1.756 0.178 2.874) 3.373 19.972 ( -0.911 9.596 -2.292) 9.908 22.066 ( 4.471 5.785 2.161) 7.624 22.109 ( -4.209 -2.264 -1.839) 5.121 ======================= Grid point 453 (211/267) ======================= q-point: (-0.14 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 3.409 8.977 -3.562) 10.242 2.503 ( -1.187 11.486 1.549) 11.651 2.855 ( 2.885 6.913 1.236) 7.592 2.930 ( -0.441 4.087 -6.080) 7.339 3.584 ( -1.267 10.705 1.049) 10.830 3.914 ( -9.914 -0.155 2.591) 10.248 4.024 ( -0.474 -1.341 -0.878) 1.672 4.164 ( 5.792 11.522 -1.747) 13.014 4.899 ( 0.554 10.160 1.311) 10.259 5.011 ( 5.798 4.032 -0.413) 7.074 5.228 ( -0.378 6.335 1.699) 6.569 5.466 ( -1.805 4.050 -1.601) 4.714 5.795 ( -0.221 1.344 0.846) 1.603 5.994 ( 0.717 10.812 0.690) 10.857 6.120 ( 2.331 8.898 0.785) 9.231 6.565 ( -12.359 -4.565 -1.691) 13.283 6.788 ( 9.118 4.949 0.943) 10.417 7.318 ( 2.785 13.245 2.056) 13.689 8.430 ( -3.677 25.368 -0.349) 25.635 8.925 ( -1.684 13.073 3.578) 13.658 9.054 ( 3.456 8.407 -5.734) 10.747 10.427 ( -15.441 -8.084 0.372) 17.433 10.652 ( 6.385 -16.095 0.067) 17.316 10.982 ( 8.289 25.047 1.105) 26.407 11.822 ( -0.813 -13.101 -1.079) 13.170 12.241 ( -0.719 10.184 -0.775) 10.239 13.207 ( 0.682 -1.902 0.168) 2.027 13.405 ( 1.393 -2.989 -1.146) 3.491 15.265 ( -0.434 6.058 -4.620) 7.631 16.110 ( -1.168 -15.444 3.865) 15.963 17.066 ( -4.881 -6.141 1.102) 7.921 18.018 ( -3.080 4.276 -0.515) 5.295 19.001 ( 1.480 1.324 1.113) 2.276 19.793 ( 3.885 10.406 -1.599) 11.222 21.924 ( -0.791 6.206 0.456) 6.272 22.240 ( 2.859 -7.752 -0.192) 8.265 ======================= Grid point 454 (212/267) ======================= q-point: (-0.07 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 3.026 14.405 -5.791) 15.818 2.252 ( -3.165 15.843 8.667) 18.334 2.659 ( 6.495 14.803 -8.056) 18.061 2.832 ( -0.997 6.622 -2.473) 7.139 3.415 ( 0.385 7.827 -0.551) 7.856 3.734 ( -9.250 11.203 0.114) 14.529 4.043 ( 3.795 0.696 4.366) 5.827 4.107 ( 2.923 0.064 1.144) 3.139 4.708 ( 3.395 11.336 -0.720) 11.855 4.963 ( 4.271 7.627 -1.376) 8.849 5.087 ( 2.550 9.623 1.766) 10.111 5.377 ( -5.735 4.506 0.326) 7.301 5.533 ( 5.326 20.164 1.210) 20.891 5.935 ( 2.103 0.117 2.418) 3.207 6.081 ( 1.582 1.279 0.265) 2.052 6.310 ( -14.049 17.395 -3.551) 22.640 6.828 ( 0.804 7.384 -0.359) 7.436 7.104 ( 13.984 8.478 1.304) 16.406 7.861 ( -9.055 30.019 -1.196) 31.378 8.771 ( -2.524 3.496 4.284) 6.079 8.974 ( 2.005 2.908 -4.813) 5.970 10.230 ( -9.400 15.364 0.058) 18.012 10.736 ( 15.787 14.574 0.538) 21.492 10.955 ( -5.917 -15.104 0.978) 16.251 11.659 ( -4.190 13.447 -0.099) 14.085 12.425 ( 0.857 -18.838 -2.465) 19.018 13.252 ( -0.134 -2.993 -0.015) 2.996 13.511 ( 4.618 -6.050 -0.926) 7.667 15.061 ( -7.457 14.087 -8.055) 17.859 16.406 ( -2.568 -16.573 5.406) 17.621 17.070 ( -12.885 -1.137 0.901) 12.966 17.879 ( -1.516 8.386 4.510) 9.642 18.889 ( -8.187 10.171 -8.605) 15.637 19.702 ( 21.182 7.941 6.043) 23.415 21.845 ( -5.662 -0.083 -2.098) 6.039 22.421 ( 8.284 -7.694 0.357) 11.311 ======================= Grid point 459 (213/267) ======================= q-point: ( 0.29 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 24.586 0.000 2.846) 24.750 1.449 ( 6.050 0.000 -2.327) 6.482 1.725 ( 1.506 0.000 -0.088) 1.509 2.348 ( 11.950 0.000 0.009) 11.950 2.418 ( 4.695 0.000 1.514) 4.934 2.782 ( 1.387 0.000 1.007) 1.714 3.224 ( -4.496 -0.000 4.566) 6.408 3.549 ( 5.910 0.000 -8.503) 10.355 3.582 ( -5.096 -0.000 -0.708) 5.145 4.270 ( 1.568 0.000 -0.186) 1.579 4.356 ( -0.303 -0.000 7.714) 7.720 5.068 ( -2.162 -0.000 -5.287) 5.712 5.138 ( 0.309 0.000 -0.046) 0.313 5.229 ( -13.520 -0.000 -5.814) 14.717 5.745 ( 2.537 0.000 7.924) 8.320 6.163 ( 13.531 0.000 2.028) 13.683 6.437 ( -0.205 -0.000 0.381) 0.432 6.840 ( 4.077 0.000 0.050) 4.078 7.010 ( 12.752 0.000 -3.506) 13.225 8.845 ( -3.095 -0.000 -0.010) 3.095 9.222 ( 10.092 0.000 0.616) 10.111 9.558 ( 2.211 0.000 0.390) 2.245 9.595 ( -6.465 -0.000 0.075) 6.466 10.851 ( -29.410 -0.000 0.423) 29.413 11.337 ( -1.644 -0.000 -0.164) 1.653 12.328 ( 21.428 0.000 -1.824) 21.505 13.321 ( -6.484 -0.000 1.456) 6.645 13.839 ( 0.684 0.000 -0.162) 0.703 14.190 ( 8.324 0.000 -0.247) 8.327 15.605 ( -44.799 -0.000 -4.894) 45.066 16.579 ( 0.000 0.000 0.321) 0.321 17.432 ( -0.006 -0.000 -0.203) 0.203 18.222 ( 15.252 0.000 1.716) 15.348 20.992 ( -21.551 -0.000 -2.060) 21.649 21.514 ( 11.045 0.000 17.331) 20.552 23.226 ( 10.009 0.000 -6.048) 11.694 ======================= Grid point 460 (214/267) ======================= q-point: ( 0.36 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 26.793 -3.700 4.865) 27.481 1.850 ( 10.546 -27.247 -2.560) 29.329 2.211 ( -1.566 -34.164 3.072) 34.338 2.431 ( 5.429 -3.138 0.851) 6.328 2.588 ( 6.262 -18.028 -1.083) 19.115 3.127 ( -5.923 -21.837 0.060) 22.626 3.256 ( -3.023 -15.510 -0.640) 15.815 3.539 ( -3.136 -3.895 -2.609) 5.640 3.769 ( -0.537 -19.871 -2.184) 19.998 4.275 ( 1.275 0.275 -0.973) 1.627 4.442 ( -0.857 -8.198 10.511) 13.357 5.040 ( -4.177 -0.243 -1.839) 4.570 5.161 ( -4.522 -4.002 -4.525) 7.546 5.219 ( -5.259 -10.260 -4.641) 12.428 5.752 ( 3.696 2.491 7.702) 8.899 6.291 ( 12.343 -2.534 0.260) 12.604 6.412 ( 2.457 3.001 0.119) 3.880 6.771 ( 10.046 5.974 -0.759) 11.712 7.251 ( 9.382 -10.277 -2.886) 14.212 8.803 ( -4.316 0.570 0.166) 4.357 9.252 ( 9.460 3.936 1.157) 10.312 9.599 ( 2.703 -4.109 1.063) 5.032 9.924 ( -5.190 -34.900 -0.668) 35.291 10.597 ( -29.241 2.573 0.404) 29.357 11.253 ( -2.765 7.234 -0.764) 7.781 12.506 ( 15.366 -3.048 -1.381) 15.726 13.192 ( -5.613 9.214 1.525) 10.897 13.748 ( 0.576 6.586 0.674) 6.646 14.266 ( 7.707 0.085 -0.231) 7.711 15.516 ( -41.858 -24.888 -4.862) 48.940 16.588 ( -0.133 -0.665 0.757) 1.016 17.340 ( -0.241 9.610 -0.423) 9.622 18.368 ( 11.850 -4.135 0.826) 12.578 20.864 ( -14.905 -1.554 -1.061) 15.023 21.561 ( 5.234 3.831 9.853) 11.796 23.256 ( 9.049 3.601 -1.573) 9.865 ======================= Grid point 461 (215/267) ======================= q-point: ( 0.43 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 21.310 -7.726 4.119) 23.039 2.408 ( 9.509 -23.466 -1.970) 25.396 2.489 ( 7.748 -5.683 -1.929) 9.801 2.609 ( 3.064 -11.338 4.327) 12.516 2.950 ( -3.253 -7.497 -1.359) 8.284 3.429 ( -0.021 -18.927 -1.524) 18.988 3.544 ( -8.546 -11.913 -1.568) 14.745 3.720 ( -6.798 -24.289 -0.885) 25.238 4.235 ( -2.695 -9.971 -2.603) 10.652 4.358 ( -4.138 -26.321 0.186) 26.645 4.678 ( 2.884 -12.896 9.067) 16.027 4.997 ( -5.834 0.351 0.858) 5.908 5.292 ( 4.813 -11.163 -3.720) 12.713 5.502 ( -7.545 -27.356 -3.950) 28.651 5.787 ( 2.968 -3.625 6.128) 7.714 6.362 ( -0.051 1.192 -0.923) 1.508 6.440 ( 11.293 -2.946 -0.720) 11.693 6.795 ( 11.459 -0.270 0.381) 11.468 7.501 ( 14.019 -9.701 -2.617) 17.248 8.775 ( -5.116 -1.403 0.405) 5.320 9.231 ( 8.421 5.620 1.193) 10.194 9.721 ( -0.769 -7.969 1.187) 8.093 10.180 ( -25.395 3.995 -0.340) 25.709 10.815 ( 5.295 -34.157 -0.750) 34.574 11.088 ( -7.706 -2.691 -0.162) 8.164 12.620 ( 1.129 -3.028 -1.677) 3.641 12.928 ( -4.639 15.551 1.416) 16.289 13.729 ( 3.924 -3.952 1.782) 5.847 14.262 ( 5.549 5.344 -0.118) 7.705 15.781 ( -33.944 -32.867 -4.270) 47.441 16.595 ( -0.181 0.295 1.547) 1.585 17.109 ( -0.167 13.917 -1.472) 13.995 18.532 ( 7.673 -5.715 0.101) 9.568 20.825 ( -6.863 -2.360 0.681) 7.289 21.536 ( 3.022 2.809 3.189) 5.214 23.217 ( 6.329 6.854 0.989) 9.381 ======================= Grid point 462 (216/267) ======================= q-point: ( 0.50 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 11.045 -2.955 2.180) 11.639 2.594 ( 7.539 -2.369 -0.283) 7.908 2.829 ( 4.176 -4.035 1.318) 5.955 2.890 ( 10.711 -21.074 -4.147) 24.001 3.059 ( -7.359 -14.558 2.471) 16.498 3.588 ( 3.039 -0.024 2.209) 3.758 3.662 ( -7.035 -13.373 -6.211) 16.337 4.180 ( -2.117 -15.569 0.096) 15.713 4.306 ( -5.381 -13.712 -3.668) 15.180 4.759 ( -6.614 -16.764 8.945) 20.119 4.897 ( -4.133 -4.855 -2.094) 6.711 5.015 ( -0.214 -10.536 -1.537) 10.650 5.589 ( 10.265 -13.346 -1.532) 16.907 5.769 ( -0.338 -5.847 5.053) 7.736 6.067 ( -9.243 -19.097 -1.596) 21.276 6.327 ( 0.193 2.431 -0.259) 2.452 6.655 ( 9.189 -12.230 -0.796) 15.318 7.041 ( 11.287 -22.379 0.864) 25.080 7.792 ( 15.699 -9.228 -0.872) 18.231 8.799 ( -3.474 -5.466 -0.523) 6.498 9.198 ( 8.078 4.193 1.434) 9.213 9.756 ( -10.972 6.193 0.468) 12.608 10.032 ( -16.908 -14.296 0.316) 22.145 10.787 ( -3.648 9.203 -0.470) 9.911 11.760 ( 12.617 -35.753 -0.394) 37.916 12.523 ( -5.555 17.485 -0.265) 18.348 12.709 ( -9.349 -4.256 -0.110) 10.273 13.950 ( 6.520 -11.178 0.632) 12.956 14.199 ( 1.292 -0.476 1.131) 1.782 16.060 ( -22.497 -17.086 -3.748) 28.498 16.577 ( -0.481 1.957 2.342) 3.090 16.927 ( -0.931 0.937 -2.115) 2.494 18.682 ( 4.159 -5.881 -0.156) 7.205 20.814 ( -0.954 1.736 1.498) 2.483 21.547 ( 1.515 -2.345 -0.323) 2.810 23.111 ( 3.928 9.052 1.779) 10.026 ======================= Grid point 463 (217/267) ======================= q-point: ( 0.57 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 3.990 0.511 0.721) 4.087 2.666 ( 6.285 -0.099 0.530) 6.308 2.871 ( 0.063 -1.710 -2.655) 3.158 3.202 ( 1.570 -4.771 2.893) 5.796 3.378 ( 4.293 -19.273 -1.912) 19.838 3.638 ( 2.815 -4.636 3.338) 6.369 3.897 ( -3.186 -17.790 -4.276) 18.572 4.242 ( -0.224 -1.269 -8.101) 8.203 4.582 ( -6.156 -13.517 4.345) 15.476 4.895 ( -5.264 -2.808 -4.306) 7.358 5.005 ( -0.157 -11.921 10.157) 15.662 5.244 ( -1.736 -12.942 -4.670) 13.868 5.732 ( 1.644 0.212 0.277) 1.681 5.981 ( 10.190 -8.541 0.472) 13.305 6.217 ( -8.667 -10.877 1.000) 13.943 6.276 ( -0.106 3.096 0.207) 3.104 6.889 ( 3.767 -7.411 0.103) 8.314 7.716 ( 10.430 -34.587 0.113) 36.125 8.001 ( 5.872 -4.605 2.252) 7.794 8.926 ( -0.258 -9.589 -2.391) 9.886 9.223 ( 6.224 -0.279 1.974) 6.536 9.569 ( -9.589 0.133 -0.352) 9.596 10.273 ( -5.044 -15.657 1.166) 16.490 10.638 ( -9.038 0.869 -0.987) 9.133 12.089 ( -0.635 20.460 -0.281) 20.472 12.342 ( 14.097 -13.479 -0.110) 19.505 12.774 ( -13.655 -10.882 -0.001) 17.461 13.923 ( 3.333 10.958 -1.434) 11.543 14.581 ( 1.112 -30.826 2.594) 30.955 15.999 ( -9.377 6.583 -4.158) 12.188 16.533 ( -1.021 2.417 2.937) 3.939 17.107 ( -3.835 -19.560 -1.333) 19.977 18.803 ( 1.927 -5.022 -0.287) 5.387 20.735 ( 1.130 7.354 1.138) 7.527 21.636 ( 0.512 -6.185 -1.273) 6.335 22.959 ( 2.415 10.571 1.703) 10.976 ======================= Grid point 464 (218/267) ======================= q-point: ( 0.64 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 1.119 1.275 -0.724) 1.844 2.711 ( 5.954 0.033 3.427) 6.870 2.898 ( -1.256 -2.507 -5.451) 6.130 3.197 ( -0.400 4.262 1.275) 4.466 3.658 ( 5.377 -7.610 3.480) 9.947 3.807 ( -1.275 -11.070 -2.040) 11.328 4.163 ( -1.428 -5.889 -3.134) 6.823 4.272 ( 1.272 -9.120 -6.142) 11.068 4.729 ( -1.433 -6.053 7.000) 9.365 4.934 ( -4.519 -6.681 -6.246) 10.201 5.231 ( 0.530 -10.566 6.082) 12.203 5.413 ( -1.499 -7.598 -2.211) 8.054 5.709 ( -0.820 1.942 -0.654) 2.207 6.112 ( 3.055 -2.894 -0.179) 4.212 6.220 ( 1.106 3.035 -0.686) 3.303 6.429 ( -0.969 -13.366 2.324) 13.601 6.976 ( 1.060 -0.392 0.266) 1.161 7.963 ( 1.177 6.638 3.574) 7.631 8.379 ( 2.861 -25.813 -0.094) 25.972 9.126 ( 1.034 -13.648 -1.662) 13.787 9.293 ( 0.107 -6.571 0.700) 6.609 9.674 ( -0.208 -11.904 0.225) 11.908 10.402 ( 8.834 2.221 -0.078) 9.109 10.626 ( -14.608 -4.590 -0.485) 15.320 11.748 ( -2.375 11.233 -0.343) 11.487 12.622 ( 9.820 -7.429 0.147) 12.314 12.885 ( -8.571 -9.971 0.318) 13.153 13.726 ( 1.436 11.217 -1.605) 11.422 15.126 ( 1.479 -24.887 2.582) 25.065 15.783 ( -3.872 9.304 -4.041) 10.857 16.511 ( -1.055 -0.966 2.541) 2.916 17.455 ( -1.858 -19.637 -0.503) 19.731 18.891 ( 0.828 -3.635 -0.226) 3.735 20.576 ( 0.634 10.782 0.435) 10.809 21.753 ( -0.048 -6.488 -1.217) 6.602 22.770 ( 1.321 12.159 1.323) 12.302 ======================= Grid point 465 (219/267) ======================= q-point: (-0.29 -0.71 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 1.195 0.696 -1.767) 2.244 2.772 ( 5.834 -0.674 5.373) 7.960 2.911 ( -2.699 -1.978 -7.959) 8.634 3.090 ( -0.683 6.519 0.335) 6.563 3.799 ( 3.326 -4.108 5.365) 7.531 3.943 ( -2.435 -4.915 -2.030) 5.849 4.123 ( -3.928 2.348 -6.809) 8.204 4.440 ( 0.177 -4.633 -0.418) 4.656 4.866 ( 3.943 -6.458 7.149) 10.410 5.019 ( -2.576 -6.251 -6.561) 9.421 5.422 ( 0.002 -9.288 2.540) 9.629 5.480 ( -0.253 -0.643 -0.111) 0.700 5.664 ( -0.889 1.710 -1.250) 2.297 6.134 ( -4.723 0.515 3.799) 6.083 6.232 ( 4.881 -2.991 -4.263) 7.137 6.631 ( 0.450 -7.761 1.772) 7.974 6.939 ( -0.121 4.323 0.481) 4.352 7.789 ( -1.680 11.073 4.098) 11.926 8.717 ( 1.256 -10.239 -1.636) 10.445 9.445 ( -1.688 -20.349 0.402) 20.423 9.516 ( 2.213 -16.738 0.122) 16.884 9.810 ( -0.889 0.207 -0.426) 1.007 10.383 ( 2.359 21.926 0.584) 22.060 10.508 ( -1.302 -11.330 -1.686) 11.528 11.687 ( -0.310 -2.387 0.133) 2.411 12.754 ( 0.566 -2.415 0.046) 2.481 13.008 ( -1.008 -7.183 0.633) 7.280 13.556 ( 0.530 7.486 -1.686) 7.692 15.472 ( 1.590 -9.860 4.524) 10.964 15.615 ( -1.773 4.215 -5.021) 6.791 16.586 ( -0.355 -7.394 1.672) 7.589 17.759 ( 0.065 -14.147 -0.259) 14.149 18.950 ( 0.654 -2.320 0.116) 2.413 20.367 ( -0.303 11.894 -0.213) 11.899 21.862 ( -0.216 -5.962 -0.937) 6.039 22.544 ( 0.255 13.441 0.935) 13.476 ======================= Grid point 466 (220/267) ======================= q-point: (-0.21 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 2.514 0.839 -2.711) 3.791 2.801 ( 1.018 3.460 0.054) 3.607 2.910 ( 0.830 -1.322 -1.589) 2.227 2.986 ( -1.257 2.996 -2.429) 4.057 3.890 ( 0.992 -2.911 5.013) 5.881 3.926 ( -4.068 3.895 0.870) 5.699 4.028 ( -3.317 3.443 -4.666) 6.680 4.443 ( -2.247 2.351 -1.894) 3.764 5.008 ( 3.017 -3.284 6.991) 8.292 5.080 ( 2.062 -2.340 -6.761) 7.446 5.437 ( 0.807 4.782 0.784) 4.912 5.581 ( -0.019 -5.530 2.416) 6.035 5.633 ( 0.667 -0.082 -2.151) 2.253 6.096 ( -3.413 0.838 2.870) 4.538 6.321 ( -0.097 -5.002 -3.164) 5.919 6.671 ( 0.788 6.634 1.154) 6.779 6.870 ( -0.521 0.680 0.621) 1.058 7.613 ( 1.450 8.441 4.369) 9.614 8.806 ( -1.097 -0.941 -2.735) 3.094 9.573 ( -1.380 13.654 -0.657) 13.739 9.829 ( -2.649 -15.676 2.345) 16.070 9.862 ( -1.295 16.811 0.859) 16.883 9.950 ( 3.315 -10.152 -2.478) 10.963 10.867 ( -1.642 -25.602 -1.215) 25.684 11.693 ( 6.134 6.218 0.616) 8.756 12.717 ( -2.688 5.397 -0.322) 6.038 13.116 ( 1.312 -4.045 0.937) 4.355 13.453 ( 0.363 4.253 -1.658) 4.579 15.454 ( -0.221 5.442 0.344) 5.458 15.698 ( 0.641 -8.250 -0.233) 8.278 16.755 ( -0.261 -9.980 1.343) 10.073 17.957 ( -0.422 -7.591 -0.482) 7.618 18.991 ( 1.296 -1.450 0.446) 1.995 20.155 ( 0.072 10.864 -0.619) 10.882 21.970 ( 0.085 -6.408 -0.736) 6.451 22.301 ( -0.140 12.972 0.732) 12.993 ======================= Grid point 467 (221/267) ======================= q-point: (-0.14 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 3.103 3.742 -4.369) 6.536 2.674 ( -1.958 8.175 -2.200) 8.689 2.926 ( 0.084 1.561 1.308) 2.039 2.964 ( 2.002 -0.353 -4.421) 4.866 3.770 ( -4.043 9.686 3.244) 10.986 3.895 ( -5.419 3.746 3.418) 7.422 3.977 ( -0.161 -2.356 -1.962) 3.070 4.342 ( -0.577 6.163 -2.484) 6.670 5.028 ( -1.434 2.814 3.489) 4.706 5.114 ( 8.142 1.571 -3.721) 9.089 5.342 ( 1.482 6.575 2.532) 7.200 5.548 ( 0.031 4.631 -0.960) 4.729 5.739 ( 1.995 -5.590 0.947) 6.010 6.065 ( -2.491 1.101 2.188) 3.493 6.362 ( -6.600 0.738 -2.541) 7.111 6.478 ( 3.758 10.969 0.721) 11.617 6.875 ( 0.612 0.444 0.361) 0.838 7.515 ( 4.624 6.663 3.650) 8.894 8.715 ( -4.992 9.560 -1.618) 10.905 9.241 ( 2.139 19.288 -1.616) 19.474 9.369 ( 1.712 24.899 -0.302) 24.960 10.087 ( -11.778 -15.777 1.540) 19.749 10.345 ( 1.929 -20.009 -0.812) 20.119 11.296 ( -6.029 -17.560 -1.234) 18.607 11.574 ( 14.882 8.849 0.618) 17.326 12.514 ( -3.575 14.441 -0.245) 14.878 13.184 ( 2.147 -2.138 0.767) 3.126 13.397 ( 0.766 1.473 -1.570) 2.285 15.357 ( -0.085 5.391 -1.476) 5.590 15.870 ( -0.366 -10.932 1.414) 11.029 16.913 ( -3.302 -7.485 1.649) 8.345 18.022 ( -2.954 -1.043 0.052) 3.133 19.020 ( 1.348 -0.220 -0.750) 1.559 19.988 ( 3.779 8.375 -0.014) 9.189 22.036 ( -4.069 4.360 -1.880) 6.254 22.154 ( 5.701 -1.760 1.694) 6.203 ======================= Grid point 468 (222/267) ======================= q-point: (-0.07 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 2.704 9.078 -6.504) 11.490 2.488 ( -1.632 10.744 1.171) 10.930 2.887 ( -1.682 2.099 -1.523) 3.091 2.917 ( 5.546 8.498 -4.451) 11.081 3.570 ( -1.157 9.653 2.004) 9.926 3.767 ( -10.017 4.218 2.037) 11.058 4.034 ( 1.375 -3.193 -0.276) 3.487 4.230 ( 3.298 6.501 1.019) 7.360 4.919 ( 0.807 8.824 1.533) 8.993 5.123 ( 8.929 3.594 -2.713) 10.000 5.232 ( -0.909 6.866 4.031) 8.013 5.441 ( 0.096 6.713 -1.486) 6.876 5.801 ( 0.370 2.524 1.301) 2.864 6.005 ( -2.091 4.350 2.360) 5.372 6.189 ( 6.053 9.370 -0.215) 11.157 6.369 ( -9.231 5.203 -1.908) 10.767 6.880 ( 1.971 -0.495 -0.024) 2.033 7.412 ( 8.330 11.258 1.588) 14.094 8.327 ( -9.115 26.277 -0.579) 27.819 8.945 ( 2.432 14.946 3.079) 15.452 9.073 ( 2.282 8.965 -4.653) 10.355 10.206 ( -13.913 -6.623 0.358) 15.413 10.650 ( -5.109 -14.110 0.300) 15.010 11.192 ( 16.644 18.648 0.419) 24.999 11.787 ( -2.763 -7.788 -1.230) 8.354 12.217 ( -2.290 6.936 -0.162) 7.306 13.227 ( 1.509 -0.707 0.392) 1.712 13.434 ( 3.310 -4.824 -1.429) 6.023 15.216 ( -3.265 9.533 -3.958) 10.826 16.105 ( -1.654 -15.104 3.108) 15.509 16.959 ( -9.790 -2.172 1.929) 10.212 17.965 ( -5.482 3.805 3.083) 7.350 18.978 ( -1.786 5.176 -5.909) 8.056 19.935 ( 13.018 3.675 3.573) 13.991 21.876 ( -4.023 6.709 -2.155) 8.114 22.328 ( 7.806 -8.703 0.840) 11.721 ======================= Grid point 474 (223/267) ======================= q-point: ( 0.36 0.36 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -1.598 -0.000 0.122) 1.603 1.756 ( 29.529 0.000 6.711) 30.282 1.796 ( 7.260 0.000 -1.550) 7.424 2.484 ( 7.127 0.000 -0.170) 7.129 2.489 ( 4.059 0.000 1.167) 4.223 2.797 ( 0.182 0.000 0.647) 0.672 3.143 ( -6.387 -0.000 -0.571) 6.413 3.512 ( -4.049 -0.000 -0.386) 4.067 3.561 ( -0.961 -0.000 -5.349) 5.435 4.288 ( 1.008 0.000 -0.234) 1.034 4.363 ( -4.185 -0.000 10.169) 10.996 4.989 ( -3.970 -0.000 -9.389) 10.194 5.041 ( -9.057 -0.000 -1.584) 9.194 5.141 ( 0.198 0.000 -0.105) 0.224 5.820 ( 2.711 0.000 7.698) 8.162 6.334 ( 5.147 0.000 -2.162) 5.582 6.486 ( 8.274 0.000 1.491) 8.407 6.897 ( 3.462 0.000 0.073) 3.463 7.243 ( 22.460 0.000 -4.366) 22.881 8.762 ( -8.791 -0.000 -0.696) 8.818 9.365 ( 8.381 0.000 1.788) 8.570 9.507 ( -5.382 -0.000 0.069) 5.382 9.589 ( 1.872 0.000 1.203) 2.225 10.411 ( -29.220 -0.000 0.676) 29.228 11.316 ( -0.767 -0.000 -1.563) 1.741 12.649 ( 23.330 0.000 -0.523) 23.335 13.241 ( -5.191 -0.000 1.717) 5.468 13.848 ( 0.543 0.000 -0.177) 0.571 14.281 ( 3.511 0.000 -0.022) 3.511 14.942 ( -41.414 -0.000 -5.168) 41.736 16.581 ( 0.022 0.000 0.387) 0.388 17.431 ( -0.048 -0.000 -0.250) 0.255 18.417 ( 10.630 0.000 1.240) 10.702 20.734 ( -12.864 -0.000 -1.207) 12.921 21.638 ( 0.736 0.000 6.905) 6.944 23.353 ( 7.930 0.000 0.764) 7.967 ======================= Grid point 475 (224/267) ======================= q-point: ( 0.43 0.36 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 10.849 -16.342 0.365) 19.619 2.035 ( 18.821 -13.867 3.298) 23.610 2.213 ( 2.216 -37.961 2.213) 38.090 2.503 ( 3.688 -1.139 0.492) 3.891 2.680 ( 5.705 -16.920 0.680) 17.869 2.995 ( -9.318 -9.814 -1.813) 13.653 3.206 ( -3.170 -16.290 -2.495) 16.782 3.504 ( -0.999 -6.611 -1.491) 6.850 3.726 ( -4.409 -19.418 -1.414) 19.962 4.281 ( 0.204 0.865 -1.099) 1.413 4.461 ( -2.567 -11.812 11.663) 16.797 4.965 ( -4.704 -0.155 -0.860) 4.784 5.030 ( -5.618 -9.217 -9.745) 14.543 5.198 ( 0.254 -6.340 0.061) 6.346 5.836 ( 3.098 1.731 7.736) 8.512 6.353 ( -0.066 -0.699 -2.458) 2.557 6.522 ( 8.748 2.379 -0.240) 9.069 6.892 ( 5.143 2.496 0.141) 5.719 7.481 ( 24.332 -6.117 -3.673) 25.357 8.688 ( -11.957 -1.251 -0.870) 12.053 9.383 ( 7.156 3.649 2.367) 8.374 9.624 ( 0.032 -2.585 1.148) 2.829 9.865 ( -2.427 -34.721 -0.309) 34.807 10.192 ( -24.424 -2.048 0.669) 24.519 11.221 ( -1.250 8.986 -1.326) 9.169 12.739 ( 16.727 7.359 -0.981) 18.301 13.127 ( -4.241 8.985 1.632) 10.069 13.762 ( 0.903 4.239 1.159) 4.486 14.357 ( 4.780 -0.396 0.033) 4.796 14.918 ( -35.509 -29.047 -5.247) 46.175 16.591 ( 0.030 -0.727 0.659) 0.982 17.335 ( -0.156 9.925 -0.578) 9.943 18.515 ( 7.989 -2.671 0.502) 8.438 20.694 ( -8.201 -4.339 -0.011) 9.278 21.617 ( -0.127 3.091 3.036) 4.334 23.368 ( 5.662 4.265 2.011) 7.369 ======================= Grid point 476 (225/267) ======================= q-point: ( 0.50 0.36 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 13.780 -3.003 3.183) 14.458 2.505 ( 4.737 -24.715 -1.958) 25.241 2.578 ( 5.000 -4.965 -1.654) 7.238 2.663 ( 2.513 -14.599 3.238) 15.164 2.909 ( -1.743 0.661 -3.655) 4.103 3.393 ( -4.008 -11.362 -4.716) 12.938 3.440 ( -3.102 -36.081 6.177) 36.737 3.666 ( -1.296 -12.532 -1.549) 12.694 4.173 ( -4.915 -21.093 0.546) 21.665 4.287 ( -3.692 -10.262 -3.277) 11.388 4.758 ( 2.602 -12.857 9.070) 15.948 4.929 ( -3.634 -0.313 1.005) 3.783 5.323 ( 0.683 -26.377 -9.117) 27.916 5.401 ( -2.724 -18.706 1.032) 18.931 5.857 ( 2.578 -0.525 6.012) 6.563 6.349 ( -0.931 0.317 -1.273) 1.609 6.577 ( 7.559 -3.292 -1.362) 8.357 6.902 ( 2.744 -1.990 0.532) 3.431 7.778 ( 23.142 -7.222 -2.236) 24.346 8.650 ( -11.914 -5.123 -0.929) 13.002 9.356 ( 8.002 5.461 1.910) 9.875 9.701 ( -3.693 -7.772 1.094) 8.674 9.838 ( -18.064 8.761 0.009) 20.077 10.876 ( 3.070 -51.690 -0.638) 51.785 11.003 ( -3.789 6.758 -0.169) 7.749 12.660 ( 4.702 7.682 -1.484) 9.128 12.868 ( -4.265 15.964 1.092) 16.560 13.809 ( 5.266 -6.253 2.480) 8.543 14.311 ( 1.146 6.543 -0.284) 6.649 15.341 ( -21.973 -37.475 -4.348) 43.659 16.601 ( 0.050 0.199 1.254) 1.271 17.101 ( -0.060 13.909 -1.361) 13.975 18.625 ( 5.118 -4.018 -0.244) 6.511 20.753 ( -3.650 -5.713 1.201) 6.885 21.563 ( 0.167 2.524 0.382) 2.558 23.295 ( 3.475 7.649 2.074) 8.654 ======================= Grid point 477 (226/267) ======================= q-point: ( 0.57 0.36 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 5.715 1.714 1.525) 6.158 2.674 ( 3.697 -3.116 -1.412) 5.037 2.852 ( -0.408 0.488 -3.359) 3.419 2.971 ( -3.704 -22.863 2.427) 23.288 3.027 ( 6.745 -19.089 -1.018) 20.271 3.556 ( -4.154 -13.251 -3.225) 14.257 3.635 ( 1.254 -0.640 3.044) 3.353 4.166 ( 0.657 -20.123 0.571) 20.142 4.234 ( -2.411 -7.679 -4.034) 9.003 4.673 ( -6.358 -22.636 3.510) 23.772 4.866 ( -1.002 -0.899 1.694) 2.164 5.023 ( 1.486 -9.390 -1.172) 9.579 5.714 ( 7.156 -11.253 -1.561) 13.426 5.756 ( -3.826 -16.197 3.036) 16.918 5.980 ( -2.124 -11.709 -0.025) 11.901 6.322 ( -0.462 1.848 -0.328) 1.933 6.748 ( 3.198 -9.529 -0.432) 10.060 7.146 ( 3.197 -26.363 0.429) 26.560 8.013 ( 11.026 -3.398 0.454) 11.546 8.723 ( -5.154 -10.289 -1.404) 11.593 9.337 ( 10.538 4.005 1.167) 11.333 9.553 ( -14.335 7.776 -0.672) 16.322 9.888 ( -3.914 -16.354 1.049) 16.848 10.745 ( -1.681 11.455 -0.080) 11.578 11.897 ( 5.318 -45.802 -0.358) 46.111 12.483 ( -0.070 20.450 -0.255) 20.451 12.594 ( -5.101 2.481 -0.422) 5.689 14.063 ( 7.556 -11.302 1.662) 13.696 14.182 ( -3.924 0.923 0.097) 4.032 15.796 ( -10.278 -22.343 -3.063) 24.783 16.582 ( -0.152 2.180 1.986) 2.953 16.913 ( -0.047 2.771 -1.790) 3.299 18.732 ( 3.011 -4.548 -0.856) 5.522 20.806 ( -1.078 -0.444 1.738) 2.093 21.555 ( -0.064 -2.098 -0.813) 2.251 23.160 ( 1.881 9.549 1.571) 9.859 ======================= Grid point 478 (227/267) ======================= q-point: (-0.36 -0.64 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 1.696 2.609 -0.343) 3.131 2.739 ( 2.956 -1.861 -0.329) 3.508 2.840 ( -1.491 -0.868 -3.436) 3.845 3.206 ( -3.100 -5.089 5.342) 8.003 3.433 ( 4.638 -19.059 -5.577) 20.392 3.677 ( 0.479 -3.160 2.834) 4.271 3.852 ( -2.490 -21.888 0.318) 22.032 4.186 ( -2.229 0.268 -6.719) 7.084 4.564 ( 1.611 -14.400 3.020) 14.801 4.828 ( -1.299 -1.899 -2.810) 3.632 5.047 ( 0.352 -13.605 9.393) 16.536 5.210 ( -0.056 -11.430 -5.627) 12.740 5.744 ( -0.303 1.893 0.747) 2.058 6.078 ( -5.759 -3.604 0.669) 6.826 6.140 ( 5.708 -17.608 0.398) 18.514 6.279 ( 0.610 2.615 -0.608) 2.754 6.914 ( -0.421 -6.841 0.297) 6.860 7.796 ( -0.165 -37.402 -0.004) 37.403 8.060 ( 0.033 1.997 2.607) 3.284 8.905 ( -1.306 -11.508 -1.245) 11.649 9.295 ( 1.279 5.831 0.744) 6.016 9.485 ( 0.470 -7.520 -1.169) 7.625 10.241 ( 0.685 -22.035 0.668) 22.056 10.563 ( -0.666 7.555 -0.276) 7.589 12.074 ( -0.146 22.343 -0.130) 22.344 12.551 ( -2.731 -23.221 0.208) 23.382 12.577 ( 3.120 -3.034 -0.596) 4.393 13.944 ( 0.025 11.875 -0.958) 11.913 14.608 ( 1.106 -31.225 1.405) 31.276 15.895 ( -2.223 3.910 -1.950) 4.902 16.538 ( 0.137 2.676 2.037) 3.365 17.074 ( -0.112 -18.749 -1.013) 18.777 18.828 ( 1.745 -4.191 -1.253) 4.710 20.743 ( -0.814 6.806 1.412) 6.998 21.631 ( -0.453 -6.126 -0.827) 6.198 22.987 ( 0.677 10.810 0.953) 10.873 ======================= Grid point 479 (228/267) ======================= q-point: (-0.29 -0.64 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 1.277 1.652 -1.683) 2.682 2.795 ( 1.994 -2.427 0.228) 3.149 2.836 ( -2.026 -0.779 -4.118) 4.655 3.189 ( -1.663 4.083 1.825) 4.771 3.747 ( 0.738 -13.687 -2.182) 13.879 3.752 ( -0.378 -4.183 1.747) 4.548 4.126 ( -1.855 1.123 -1.955) 2.919 4.222 ( -5.725 -16.677 -0.881) 17.654 4.790 ( 4.660 -6.644 7.108) 10.788 4.884 ( 2.173 -6.528 -7.185) 9.948 5.266 ( 1.002 -9.150 4.183) 10.111 5.397 ( 0.732 -8.714 -1.979) 8.966 5.697 ( -0.745 2.589 0.424) 2.728 6.080 ( -6.490 -1.954 1.988) 7.063 6.243 ( 1.654 1.402 -2.044) 2.980 6.451 ( 2.624 -12.768 0.429) 13.042 6.974 ( -1.452 -0.502 0.398) 1.588 7.960 ( -3.722 6.600 3.754) 8.456 8.388 ( -1.448 -25.650 -0.777) 25.702 9.122 ( -0.792 -14.653 -1.349) 14.736 9.293 ( -0.526 -5.928 0.747) 5.998 9.684 ( 1.836 -11.563 -0.573) 11.721 10.415 ( -8.278 2.583 -1.215) 8.756 10.615 ( 14.457 -5.097 0.524) 15.339 11.744 ( 1.971 11.311 -0.020) 11.481 12.626 ( -9.579 -7.679 -0.193) 12.278 12.881 ( 8.065 -9.553 0.662) 12.520 13.723 ( -1.014 11.089 -1.323) 11.213 15.155 ( 1.350 -25.423 0.319) 25.460 15.742 ( -0.027 9.486 -0.663) 9.509 16.521 ( 1.186 -0.679 1.600) 2.104 17.452 ( 1.648 -19.870 -0.225) 19.939 18.904 ( 1.147 -3.336 -1.245) 3.741 20.571 ( -1.577 10.763 0.808) 10.908 21.745 ( -0.501 -6.556 -0.504) 6.594 22.780 ( -0.534 12.322 0.463) 12.342 ======================= Grid point 480 (229/267) ======================= q-point: (-0.21 -0.64 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 2.482 0.357 -2.611) 3.621 2.803 ( -5.802 -0.798 -8.846) 10.609 2.868 ( 3.655 -2.255 3.211) 5.362 3.082 ( -0.751 6.269 0.988) 6.391 3.814 ( -3.382 -4.346 -2.635) 6.105 3.918 ( -0.318 -3.934 4.838) 6.244 4.063 ( -1.988 2.725 -1.219) 3.587 4.382 ( -6.398 -5.843 -0.358) 8.672 4.919 ( -0.473 -5.692 1.869) 6.010 5.047 ( 8.819 -5.984 -2.481) 10.942 5.442 ( 1.537 -8.108 1.409) 8.372 5.504 ( 3.549 -2.033 0.274) 4.099 5.650 ( -0.708 1.938 0.471) 2.116 6.063 ( -7.208 -1.141 3.241) 7.986 6.252 ( 0.714 -1.825 -3.219) 3.769 6.646 ( 0.774 -7.242 0.395) 7.294 6.925 ( -2.034 4.022 0.441) 4.529 7.809 ( 1.719 9.079 4.165) 10.136 8.686 ( -4.254 -10.506 -2.224) 11.551 9.419 ( -1.978 -14.806 1.415) 15.005 9.503 ( -3.014 -20.463 -1.981) 20.778 9.849 ( 5.067 -1.004 0.889) 5.241 10.267 ( -9.972 8.319 -1.804) 13.111 10.634 ( 11.583 5.880 -0.327) 12.994 11.750 ( 8.230 -4.080 0.455) 9.197 12.679 ( -9.031 -4.763 -0.244) 10.213 13.063 ( 6.228 -4.956 1.218) 8.051 13.543 ( -1.222 6.965 -1.680) 7.268 15.513 ( 1.473 -12.633 0.777) 12.742 15.583 ( -0.066 7.159 -0.800) 7.204 16.606 ( 2.110 -6.731 1.483) 7.208 17.771 ( 1.638 -13.254 -0.207) 13.357 18.963 ( 1.250 -2.586 -0.901) 3.010 20.354 ( -1.551 11.391 0.324) 11.501 21.857 ( -0.047 -6.200 -0.271) 6.206 22.538 ( -1.463 13.286 0.205) 13.368 ======================= Grid point 481 (230/267) ======================= q-point: (-0.14 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 2.915 0.859 -3.962) 4.993 2.730 ( -5.916 2.057 -7.641) 9.880 2.939 ( 1.539 -1.405 -0.760) 2.219 2.986 ( 1.774 3.330 2.179) 4.357 3.833 ( -4.732 -0.077 -1.957) 5.122 3.919 ( -3.566 1.539 9.001) 9.803 3.997 ( 0.101 3.900 -2.535) 4.652 4.381 ( -3.712 0.510 -1.830) 4.170 4.995 ( -2.501 -3.453 -0.115) 4.266 5.178 ( 8.130 -1.482 -0.918) 8.315 5.480 ( 3.517 4.558 2.316) 6.206 5.595 ( -0.072 0.391 2.899) 2.926 5.655 ( 4.276 -5.651 -2.030) 7.372 6.038 ( -6.570 -0.957 3.111) 7.332 6.281 ( -2.164 -2.030 -2.933) 4.172 6.691 ( 1.134 4.941 0.576) 5.103 6.855 ( -1.642 -0.069 0.174) 1.652 7.695 ( 6.525 7.746 4.269) 10.991 8.742 ( -5.591 -0.989 -2.949) 6.398 9.526 ( -3.899 4.391 -0.452) 5.889 9.810 ( -1.207 -3.660 0.770) 3.930 9.840 ( -1.839 13.219 0.391) 13.352 9.991 ( 3.283 -8.867 -1.203) 9.531 10.819 ( -3.361 -20.730 -1.440) 21.050 11.854 ( 14.086 3.873 0.666) 14.624 12.637 ( -7.740 3.208 -0.285) 8.384 13.167 ( 4.526 -2.307 1.296) 5.243 13.443 ( -0.751 3.392 -1.782) 3.905 15.461 ( 0.697 6.128 1.315) 6.306 15.701 ( 0.207 -8.422 -1.289) 8.523 16.764 ( 0.406 -7.784 1.860) 8.013 17.945 ( -0.871 -5.667 -0.305) 5.741 19.012 ( 1.568 -1.670 -1.031) 2.512 20.161 ( 0.849 8.884 0.324) 8.930 21.970 ( 0.277 -5.839 -0.495) 5.867 22.299 ( -0.494 11.076 0.380) 11.093 ======================= Grid point 482 (231/267) ======================= q-point: (-0.07 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 2.036 4.171 -5.660) 7.320 2.614 ( -3.765 5.231 -3.906) 7.537 2.905 ( -0.427 2.036 -1.711) 2.694 3.017 ( 4.480 0.015 -0.805) 4.552 3.723 ( -4.411 7.104 5.520) 10.020 3.832 ( -3.418 7.873 -0.710) 8.612 3.978 ( 0.579 -3.055 -0.228) 3.117 4.330 ( 0.155 2.962 -0.411) 2.994 5.001 ( -3.193 0.840 1.356) 3.570 5.216 ( 6.793 2.357 -3.444) 7.973 5.390 ( 1.592 7.957 5.713) 9.924 5.557 ( 2.135 3.865 -1.411) 4.635 5.787 ( 3.792 -3.841 0.518) 5.422 6.003 ( -7.908 0.202 2.603) 8.327 6.263 ( -3.783 1.182 -2.446) 4.658 6.557 ( 6.424 10.485 1.043) 12.340 6.862 ( -2.686 -0.882 -0.168) 2.832 7.629 ( 8.228 6.949 3.337) 11.275 8.612 ( -7.264 10.981 -1.789) 13.287 9.271 ( 2.841 17.529 -1.673) 17.837 9.401 ( 2.681 23.895 -0.089) 24.046 9.932 ( -9.618 -10.569 1.404) 14.359 10.332 ( -2.760 -18.088 -0.814) 18.316 11.201 ( -6.473 -22.281 -1.384) 23.244 11.819 ( 17.498 11.088 0.462) 20.720 12.433 ( -7.373 12.960 -0.017) 14.911 13.235 ( 3.966 -1.157 0.907) 4.229 13.398 ( 0.362 -0.018 -1.740) 1.778 15.352 ( 0.119 7.262 -0.244) 7.267 15.863 ( -0.966 -10.673 -0.084) 10.716 16.859 ( -5.046 -3.287 2.399) 6.483 17.970 ( -4.365 0.561 0.967) 4.506 19.024 ( 0.506 1.454 -3.207) 3.557 20.072 ( 6.636 3.470 1.590) 7.656 21.973 ( -3.351 5.752 -1.742) 6.881 22.247 ( 6.020 -4.839 1.245) 7.824 ======================= Grid point 489 (232/267) ======================= q-point: ( 0.43 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -1.918 -0.000 0.621) 2.016 1.884 ( 4.448 0.000 -0.392) 4.465 2.205 ( 26.001 0.000 6.389) 26.774 2.542 ( 2.611 0.000 0.272) 2.625 2.566 ( 3.859 0.000 2.229) 4.457 2.798 ( 0.111 0.000 -0.269) 0.291 3.054 ( -4.121 -0.000 -3.661) 5.512 3.463 ( -2.418 -0.000 0.201) 2.426 3.465 ( -8.601 -0.000 -5.308) 10.107 4.298 ( 0.447 0.000 -0.224) 0.500 4.344 ( -3.568 -0.000 10.014) 10.631 4.880 ( -4.106 -0.000 -10.014) 10.823 4.950 ( -4.046 -0.000 1.144) 4.204 5.143 ( 0.065 0.000 -0.112) 0.130 5.891 ( 2.411 0.000 7.404) 7.787 6.337 ( -0.785 -0.000 -2.741) 2.852 6.605 ( 5.279 0.000 -0.444) 5.298 6.938 ( 2.026 0.000 0.073) 2.027 7.628 ( 30.659 0.000 -3.948) 30.912 8.558 ( -18.635 -0.000 -1.598) 18.704 9.444 ( -3.077 -0.000 0.056) 3.077 9.480 ( 5.943 0.000 3.057) 6.683 9.621 ( 1.250 0.000 1.159) 1.704 10.050 ( -18.702 -0.000 0.749) 18.717 11.299 ( -0.538 -0.000 -1.622) 1.709 13.010 ( 25.614 0.000 -0.649) 25.622 13.190 ( -2.281 -0.000 2.088) 3.092 13.853 ( 0.291 0.000 -0.158) 0.331 14.173 ( -25.247 -0.000 -2.525) 25.373 14.485 ( -10.123 -0.000 -1.802) 10.283 16.583 ( 0.046 0.000 0.364) 0.367 17.429 ( -0.060 -0.000 -0.238) 0.246 18.548 ( 7.063 0.000 -0.312) 7.070 20.594 ( -6.537 -0.000 0.506) 6.557 21.644 ( -1.598 -0.000 1.902) 2.484 23.451 ( 4.345 0.000 2.283) 4.908 ======================= Grid point 490 (233/267) ======================= q-point: ( 0.50 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 1.756 -29.161 -0.968) 29.230 2.174 ( 0.462 -26.487 2.286) 26.589 2.419 ( 16.845 -10.298 1.658) 19.813 2.536 ( 0.265 -1.402 0.973) 1.727 2.741 ( 0.667 -18.170 3.872) 18.590 2.896 ( -0.555 -2.352 -4.090) 4.751 3.144 ( -2.817 -13.368 -4.380) 14.346 3.475 ( -2.771 -11.454 -0.437) 11.793 3.646 ( -4.466 -19.896 -0.339) 20.394 4.276 ( -0.135 1.912 -0.806) 2.079 4.487 ( -0.723 -15.836 11.663) 19.681 4.895 ( -3.337 -4.527 -5.994) 8.219 4.940 ( -1.844 -4.245 -3.556) 5.837 5.204 ( 0.430 -6.922 -0.118) 6.936 5.908 ( 2.348 1.438 6.417) 6.983 6.330 ( -1.267 -0.602 -2.012) 2.453 6.605 ( 2.731 1.620 -1.125) 3.369 6.928 ( 0.675 2.005 0.143) 2.121 7.861 ( 24.148 -2.781 -2.971) 24.488 8.444 ( -17.744 -4.152 -1.587) 18.292 9.487 ( 5.629 1.467 3.189) 6.634 9.606 ( -3.208 -0.229 0.305) 3.230 9.838 ( -1.885 -16.202 0.247) 16.313 9.949 ( -7.365 -21.252 0.304) 22.494 11.201 ( -0.683 9.489 -1.044) 9.571 12.958 ( 12.004 18.229 -1.721) 21.894 13.079 ( -3.133 9.398 1.142) 9.972 13.789 ( 1.684 -0.255 2.139) 2.734 14.405 ( 1.696 -1.116 0.069) 2.031 14.479 ( -18.992 -33.958 -3.957) 39.109 16.594 ( 0.070 -0.854 0.516) 1.000 17.330 ( -0.118 10.148 -0.488) 10.161 18.609 ( 5.184 -1.813 -1.557) 5.708 20.613 ( -3.660 -5.712 1.451) 6.937 21.610 ( -1.383 2.439 0.998) 2.976 23.438 ( 2.853 4.684 1.722) 5.748 ======================= Grid point 491 (234/267) ======================= q-point: (-0.43 -0.57 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 2.593 -3.773 -0.067) 4.579 2.525 ( -1.772 -20.810 2.274) 21.008 2.610 ( 0.002 -5.267 -0.939) 5.350 2.718 ( 3.464 -14.773 -1.402) 15.239 2.863 ( -1.149 0.604 -4.237) 4.432 3.319 ( -3.457 -12.647 0.777) 13.134 3.496 ( 6.172 -39.378 1.975) 39.908 3.635 ( -2.378 -9.005 -1.225) 9.394 4.121 ( -1.894 -29.145 2.828) 29.343 4.236 ( -1.372 0.078 -3.149) 3.436 4.832 ( 2.419 -8.993 7.262) 11.810 4.903 ( -0.527 -2.501 0.859) 2.697 5.247 ( -3.926 -32.990 -5.514) 33.677 5.418 ( 2.669 -16.568 -1.352) 16.836 5.909 ( 1.512 0.875 3.734) 4.123 6.329 ( -1.057 -0.303 -0.492) 1.204 6.626 ( -0.956 -4.091 -0.682) 4.256 6.917 ( 0.260 -2.705 0.212) 2.726 8.004 ( -0.400 -3.274 -1.091) 3.474 8.499 ( -0.298 -9.507 -1.171) 9.583 9.478 ( 3.252 4.723 0.697) 5.777 9.583 ( -2.703 -0.019 0.963) 2.869 9.747 ( 0.609 3.294 0.251) 3.359 10.894 ( -0.363 -59.647 -0.202) 59.649 10.976 ( 0.233 12.703 -0.312) 12.709 12.706 ( 0.555 11.458 -1.537) 11.574 12.835 ( 0.969 16.618 0.141) 16.647 13.875 ( 0.879 -7.369 2.066) 7.703 14.306 ( -0.638 7.310 -0.205) 7.340 15.141 ( -2.556 -39.885 -1.827) 40.009 16.606 ( 0.034 0.083 0.932) 0.936 17.094 ( -0.136 13.941 -0.973) 13.975 18.681 ( 3.377 -3.190 -2.622) 5.334 20.723 ( -1.579 -6.863 2.216) 7.383 21.556 ( -1.058 2.173 0.454) 2.459 23.338 ( 1.437 8.100 0.819) 8.267 ======================= Grid point 492 (235/267) ======================= q-point: (-0.36 -0.57 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( -0.934 2.564 -1.429) 3.081 2.680 ( -1.983 -3.805 -2.155) 4.802 2.829 ( -0.427 -1.751 -0.323) 1.831 2.919 ( -4.885 -19.447 2.274) 20.180 3.100 ( 4.152 -21.647 -3.739) 22.356 3.511 ( -0.917 -12.184 0.562) 12.231 3.648 ( -1.272 -1.169 2.206) 2.802 4.181 ( 0.025 -0.742 -3.047) 3.136 4.218 ( 3.186 -25.533 -0.524) 25.737 4.651 ( 1.623 -23.701 4.600) 24.198 4.876 ( 1.346 -1.236 1.649) 2.462 5.035 ( 0.892 -7.686 -2.145) 8.030 5.666 ( -8.123 -15.788 2.195) 17.890 5.806 ( 4.750 -11.956 -0.974) 12.902 5.992 ( 3.481 -11.468 -0.977) 12.025 6.315 ( -0.323 1.233 0.210) 1.292 6.735 ( -4.966 -10.007 0.618) 11.188 7.152 ( -2.654 -26.132 -0.009) 26.266 8.014 ( -11.358 -3.978 0.278) 12.038 8.701 ( 3.137 -9.688 0.477) 10.195 9.369 ( -9.138 3.666 -1.613) 9.977 9.541 ( 15.886 7.689 0.353) 17.652 9.897 ( 4.434 -16.307 0.342) 16.903 10.740 ( 0.828 11.470 0.378) 11.506 11.896 ( -5.316 -45.437 -0.234) 45.747 12.475 ( -0.374 19.316 0.275) 19.322 12.612 ( 7.638 3.779 -1.833) 8.717 14.086 ( -7.472 -9.031 -0.425) 11.729 14.173 ( 4.919 -1.539 1.045) 5.259 15.755 ( 5.697 -22.441 0.364) 23.155 16.588 ( -0.112 2.047 1.522) 2.553 16.907 ( 0.279 2.672 -1.395) 3.027 18.761 ( 2.013 -4.030 -3.273) 5.568 20.797 ( -1.396 -0.669 2.490) 2.932 21.543 ( -1.046 -2.172 0.127) 2.414 23.179 ( 0.058 9.845 0.028) 9.845 ======================= Grid point 493 (236/267) ======================= q-point: (-0.29 -0.57 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( -1.066 1.790 -2.549) 3.292 2.713 ( -4.311 -3.122 -4.225) 6.796 2.843 ( 2.152 -0.044 0.271) 2.170 3.159 ( -6.504 -7.972 4.501) 11.229 3.459 ( 2.926 -15.848 -7.235) 17.665 3.684 ( -0.937 -3.892 1.060) 4.141 3.807 ( -4.267 -21.040 3.587) 21.766 4.142 ( -1.256 1.644 -0.823) 2.227 4.646 ( 7.990 -16.478 0.337) 18.316 4.834 ( 2.928 -0.384 -0.418) 2.983 5.103 ( 1.930 -13.060 8.093) 15.485 5.188 ( 0.920 -11.669 -6.504) 13.391 5.725 ( -3.137 0.314 0.953) 3.294 5.964 ( -7.928 -6.154 1.607) 10.164 6.243 ( 6.195 -8.890 -0.854) 10.869 6.291 ( 1.947 -0.711 -1.142) 2.367 6.879 ( -4.644 -8.017 0.876) 9.306 7.713 ( -10.544 -33.373 0.383) 35.001 8.018 ( -6.402 -5.868 0.831) 8.724 8.885 ( -1.190 -10.200 1.052) 10.323 9.259 ( -4.581 1.073 -1.024) 4.815 9.579 ( 11.204 -0.954 -1.279) 11.317 10.292 ( 5.408 -16.162 -0.446) 17.049 10.618 ( 8.199 1.503 0.581) 8.356 12.083 ( 0.275 20.276 0.152) 20.279 12.342 ( -13.632 -13.543 -0.082) 19.216 12.782 ( 14.102 -9.993 -0.686) 17.297 13.914 ( -3.361 11.070 -0.725) 11.592 14.623 ( 0.701 -31.381 -0.817) 31.400 15.925 ( 6.068 6.523 2.122) 9.158 16.555 ( 1.265 2.012 0.979) 2.570 17.094 ( 3.468 -19.617 -0.343) 19.924 18.839 ( 1.019 -4.068 -3.275) 5.321 20.724 ( -2.730 7.096 2.065) 7.878 21.619 ( -0.813 -6.269 0.125) 6.323 22.984 ( -1.434 11.001 -0.418) 11.102 ======================= Grid point 494 (237/267) ======================= q-point: (-0.21 -0.57 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 0.817 0.273 -2.981) 3.103 2.709 ( -6.003 -1.968 -7.483) 9.793 2.869 ( 2.031 -1.037 1.882) 2.957 3.162 ( -3.392 2.475 1.956) 4.632 3.668 ( -3.277 -8.121 -6.126) 10.687 3.800 ( -0.099 -8.814 1.370) 8.920 4.088 ( -3.015 -1.391 1.513) 3.649 4.140 ( -4.761 -12.226 4.465) 13.859 4.865 ( 2.763 -1.469 1.967) 3.696 4.962 ( 9.645 -10.446 -2.092) 14.371 5.293 ( 1.709 -9.382 -0.252) 9.540 5.422 ( 3.228 -9.614 0.043) 10.141 5.692 ( -0.471 1.757 1.757) 2.530 5.973 ( -8.458 -2.490 1.725) 8.984 6.245 ( -0.360 0.943 -0.742) 1.253 6.496 ( 3.642 -9.800 -1.032) 10.505 6.933 ( -4.699 -1.429 0.643) 4.954 7.897 ( -6.282 -1.152 2.839) 6.989 8.328 ( -5.988 -23.716 -1.091) 24.485 9.092 ( -2.474 -15.328 -0.528) 15.536 9.286 ( -0.958 -5.847 0.430) 5.940 9.724 ( 4.386 -8.681 -1.765) 9.885 10.332 ( -1.941 5.970 -0.803) 6.329 10.860 ( 17.508 -3.469 0.204) 17.849 11.801 ( 5.328 8.314 0.350) 9.881 12.446 ( -13.655 -10.461 -0.055) 17.201 13.020 ( 9.273 -6.409 0.553) 11.286 13.687 ( -3.138 10.496 -1.099) 11.010 15.164 ( 0.691 -25.475 -2.818) 25.640 15.778 ( 3.758 11.636 3.628) 12.755 16.560 ( 3.473 -1.225 0.659) 3.742 17.503 ( 5.326 -18.811 0.257) 19.552 18.909 ( 0.586 -3.728 -2.543) 4.551 20.537 ( -3.758 10.473 1.327) 11.206 21.738 ( -0.287 -6.814 0.213) 6.824 22.755 ( -2.897 12.304 -0.515) 12.651 ======================= Grid point 495 (238/267) ======================= q-point: (-0.14 -0.57 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 1.923 -0.287 -3.644) 4.130 2.668 ( -6.263 -0.730 -8.602) 10.665 2.916 ( 1.202 -2.169 1.552) 2.926 3.078 ( -0.496 4.614 1.135) 4.777 3.742 ( -2.609 -4.912 -4.808) 7.352 3.916 ( -4.317 -3.103 5.022) 7.314 4.041 ( -1.589 2.590 1.551) 3.412 4.298 ( -3.786 -6.340 0.918) 7.441 4.922 ( 0.543 -2.833 0.325) 2.903 5.162 ( 6.373 -5.762 -0.438) 8.603 5.482 ( 3.681 -7.148 -0.278) 8.045 5.574 ( 4.692 -5.575 -1.643) 7.470 5.657 ( 1.565 3.444 4.039) 5.533 5.958 ( -8.201 -2.190 2.208) 8.771 6.241 ( -0.572 -1.039 -1.105) 1.620 6.659 ( 1.270 -6.169 -0.307) 6.305 6.881 ( -4.182 2.731 0.381) 5.009 7.860 ( 2.167 3.679 3.425) 5.473 8.586 ( -7.201 -10.655 -2.125) 13.034 9.407 ( -0.634 -7.601 1.169) 7.716 9.436 ( -4.140 -23.357 -1.741) 23.785 9.920 ( 2.744 -8.143 -0.203) 8.596 10.149 ( -3.489 11.365 -1.868) 12.034 10.797 ( 10.613 15.084 -0.160) 18.445 11.911 ( 12.630 -7.273 0.624) 14.588 12.518 ( -12.390 -7.281 -0.052) 14.371 13.166 ( 6.474 -3.232 1.267) 7.346 13.506 ( -2.847 6.131 -1.677) 6.965 15.502 ( -0.733 -12.109 -5.167) 13.185 15.622 ( 2.858 7.913 5.595) 10.104 16.659 ( 4.156 -5.606 1.251) 7.090 17.806 ( 3.262 -10.533 -0.271) 11.030 18.974 ( 0.841 -3.260 -1.524) 3.696 20.325 ( -2.817 9.663 0.725) 10.091 21.860 ( 0.617 -6.568 0.178) 6.600 22.502 ( -3.382 12.420 -0.367) 12.877 ======================= Grid point 496 (239/267) ======================= q-point: (-0.07 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 1.221 1.194 -4.678) 4.980 2.613 ( -4.763 0.484 -6.484) 8.060 2.944 ( 0.012 0.995 -0.027) 0.996 3.031 ( 2.756 0.350 0.499) 2.823 3.785 ( -1.252 0.339 0.141) 1.305 3.878 ( -4.980 0.897 4.263) 6.616 3.991 ( 0.332 3.124 -2.069) 3.762 4.342 ( -0.933 -1.073 0.156) 1.430 4.962 ( -2.222 -1.855 0.442) 2.928 5.269 ( 4.856 -1.488 -0.825) 5.145 5.538 ( 2.462 4.192 2.460) 5.448 5.602 ( -0.086 1.368 1.533) 2.056 5.736 ( 6.591 -5.578 -0.974) 8.689 5.938 ( -7.601 -1.203 1.999) 7.951 6.252 ( -0.892 -0.329 -0.646) 1.149 6.704 ( 0.387 2.143 0.405) 2.215 6.829 ( -1.796 -0.102 0.028) 1.799 7.816 ( 6.636 5.562 3.667) 9.403 8.634 ( -6.560 -1.244 -2.570) 7.155 9.473 ( -2.726 0.242 -0.215) 2.745 9.794 ( -1.151 -9.620 0.263) 9.692 9.822 ( -0.302 18.502 -0.950) 18.529 10.029 ( 1.968 -4.897 -0.379) 5.291 10.771 ( -2.096 -12.245 -1.282) 12.490 12.080 ( 15.539 1.855 0.596) 15.660 12.495 ( -11.303 1.099 -0.062) 11.357 13.248 ( 5.305 -1.303 1.205) 5.594 13.413 ( -2.284 2.233 -1.829) 3.681 15.483 ( 1.138 6.360 2.015) 6.768 15.692 ( -0.439 -7.782 -1.993) 8.045 16.780 ( 0.430 -4.013 2.073) 4.537 17.932 ( -0.615 -2.706 -0.327) 2.794 19.023 ( 0.700 -1.432 -1.551) 2.224 20.179 ( 1.063 5.047 0.700) 5.205 21.974 ( 0.440 -3.903 -0.480) 3.957 22.291 ( -0.650 6.829 0.306) 6.866 ======================= Grid point 504 (240/267) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 0.058 0.000 0.515) 0.519 1.906 ( -1.979 -0.000 1.405) 2.427 2.464 ( 3.274 0.000 -2.256) 3.976 2.567 ( 0.920 0.000 -0.559) 1.076 2.664 ( 7.650 0.000 7.892) 10.991 2.804 ( 1.327 0.000 -1.517) 2.015 2.993 ( -1.261 -0.000 -6.548) 6.669 3.312 ( -6.481 -0.000 -2.039) 6.794 3.443 ( -0.570 -0.000 0.767) 0.955 4.299 ( -0.080 -0.000 -0.126) 0.149 4.358 ( -0.438 -0.000 9.519) 9.529 4.797 ( -1.538 -0.000 -7.303) 7.463 4.926 ( 0.274 0.000 0.492) 0.563 5.142 ( -0.041 -0.000 -0.064) 0.075 5.951 ( 1.706 0.000 5.090) 5.369 6.310 ( -1.337 -0.000 -1.595) 2.081 6.634 ( -0.610 -0.000 -0.641) 0.885 6.954 ( 0.020 0.000 0.044) 0.048 7.944 ( -1.582 -0.000 -2.478) 2.939 8.312 ( 1.526 0.000 -2.028) 2.538 9.421 ( -0.001 -0.000 0.042) 0.042 9.569 ( 3.652 0.000 2.367) 4.352 9.610 ( -3.416 -0.000 1.360) 3.676 9.913 ( 0.483 0.000 0.087) 0.490 11.286 ( -0.447 -0.000 -0.964) 1.062 13.151 ( -1.253 -0.000 0.819) 1.497 13.360 ( 9.646 0.000 -3.506) 10.263 13.799 ( -8.340 -0.000 0.908) 8.389 13.855 ( -0.020 -0.000 -0.108) 0.109 14.444 ( -0.533 -0.000 0.056) 0.536 16.585 ( 0.055 0.000 0.247) 0.253 17.427 ( -0.037 -0.000 -0.162) 0.166 18.623 ( 4.202 0.000 -3.489) 5.462 20.538 ( -2.101 -0.000 2.238) 3.070 21.626 ( -1.521 -0.000 1.645) 2.240 23.503 ( 1.973 0.000 0.652) 2.078 ======================= Grid point 505 (241/267) ======================= q-point: (-0.43 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -2.370 -27.369 -0.392) 27.474 2.171 ( -1.649 -32.586 2.456) 32.720 2.455 ( -9.425 -4.535 -2.581) 10.773 2.581 ( 3.077 -3.312 -2.172) 5.015 2.749 ( -2.146 -8.856 5.041) 10.414 2.919 ( 4.723 -5.771 -7.212) 10.374 3.129 ( 4.759 -16.263 -3.169) 17.239 3.437 ( -2.329 -13.171 2.726) 13.650 3.619 ( 0.295 -19.735 2.024) 19.841 4.271 ( -0.213 2.515 -0.427) 2.560 4.541 ( 1.285 -18.608 10.572) 21.440 4.834 ( -0.525 -5.536 -6.659) 8.676 4.938 ( 2.405 -0.983 -0.765) 2.709 5.208 ( 0.255 -7.513 -0.500) 7.533 5.955 ( 0.966 1.536 2.808) 3.343 6.305 ( -1.214 -0.810 -0.224) 1.476 6.591 ( -3.980 1.822 -0.161) 4.380 6.929 ( -0.628 1.924 0.054) 2.024 7.840 ( -24.988 -3.222 -1.225) 25.224 8.446 ( 18.368 -3.757 -1.643) 18.820 9.527 ( -6.555 2.157 -0.139) 6.902 9.583 ( 4.998 -1.473 2.112) 5.622 9.839 ( 1.685 -16.053 0.132) 16.142 9.957 ( 8.224 -20.811 -0.293) 22.379 11.192 ( -0.127 9.322 -0.292) 9.328 12.964 ( -8.626 17.507 -1.861) 19.605 13.105 ( 4.822 11.628 -1.388) 12.665 13.802 ( -1.709 -1.045 1.292) 2.384 14.405 ( -0.478 3.859 0.375) 3.907 14.419 ( 11.620 -39.579 0.574) 41.254 16.597 ( 0.046 -0.940 0.298) 0.988 17.327 ( -0.077 10.331 -0.234) 10.334 18.653 ( 2.709 -1.571 -5.275) 6.134 20.594 ( -0.338 -5.954 3.096) 6.719 21.597 ( -1.012 2.400 2.110) 3.352 23.467 ( 0.747 4.904 -0.702) 5.010 ======================= Grid point 506 (242/267) ======================= q-point: (-0.36 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -8.094 -5.451 -3.134) 10.249 2.458 ( -8.944 -19.226 1.358) 21.248 2.582 ( -2.526 -5.548 -0.974) 6.174 2.735 ( 0.573 -14.543 -3.285) 14.921 2.865 ( 2.523 -2.022 -0.285) 3.245 3.309 ( 1.355 -16.145 2.045) 16.331 3.587 ( -1.866 -13.486 -3.422) 14.038 3.602 ( 5.951 -29.883 1.603) 30.512 4.159 ( 4.105 -31.235 3.344) 31.681 4.220 ( 0.647 1.343 0.522) 1.579 4.891 ( 2.595 -2.468 2.471) 4.351 4.911 ( 0.813 -6.465 0.332) 6.524 5.185 ( -2.791 -29.582 0.636) 29.721 5.452 ( 3.582 -21.344 -3.468) 21.919 5.929 ( -0.033 1.294 -0.042) 1.295 6.318 ( -0.531 -0.773 1.221) 1.539 6.548 ( -8.896 -3.136 0.862) 9.472 6.907 ( -2.989 -2.360 0.110) 3.810 7.758 ( -23.403 -8.138 -0.591) 24.785 8.638 ( 12.053 -4.228 0.187) 12.774 9.388 ( -8.233 5.283 -0.842) 9.819 9.713 ( 6.394 -8.281 0.124) 10.463 9.836 ( 16.785 9.175 0.113) 19.129 10.867 ( -3.298 -45.132 0.166) 45.252 11.003 ( 3.656 0.188 -0.262) 3.670 12.668 ( -2.819 8.704 -1.930) 9.350 12.892 ( 5.587 15.799 -1.138) 16.796 13.838 ( -5.428 -6.679 0.099) 8.607 14.302 ( -0.913 6.713 0.514) 6.794 15.257 ( 17.613 -38.052 2.584) 42.010 16.610 ( 0.002 0.007 0.554) 0.554 17.089 ( -0.177 14.110 -0.402) 14.117 18.698 ( 1.295 -3.151 -6.354) 7.210 20.725 ( 0.052 -6.345 3.665) 7.328 21.545 ( -0.901 2.498 1.898) 3.264 23.341 ( -0.933 8.290 -1.714) 8.517 ======================= Grid point 507 (243/267) ======================= q-point: (-0.29 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -7.543 -0.810 -5.138) 9.163 2.612 ( -5.505 -3.521 -2.260) 6.915 2.792 ( -8.451 -17.653 4.784) 20.148 2.870 ( -0.119 -4.261 -3.830) 5.731 3.134 ( 3.367 -21.028 -2.633) 21.458 3.540 ( 3.392 -10.211 4.232) 11.562 3.613 ( -4.313 -1.950 0.560) 4.766 4.166 ( -0.750 1.593 -0.153) 1.767 4.293 ( 7.478 -28.845 -1.624) 29.842 4.756 ( 8.362 -22.033 6.432) 24.429 4.919 ( 3.739 -1.779 0.411) 4.161 5.026 ( -0.184 -6.247 -4.022) 7.432 5.542 ( -10.121 -15.284 2.448) 18.495 5.849 ( 1.997 -4.158 -1.699) 4.916 6.072 ( 8.617 -19.354 -2.055) 21.285 6.312 ( -0.671 1.421 0.992) 1.859 6.620 ( -10.814 -13.092 2.047) 17.103 7.053 ( -11.369 -22.286 -0.048) 25.018 7.786 ( -15.950 -10.458 -0.375) 19.076 8.767 ( 3.538 -3.984 2.132) 5.738 9.241 ( -7.691 3.336 -2.101) 8.643 9.772 ( 13.151 7.018 -0.866) 14.931 10.040 ( 16.074 -15.541 -0.294) 22.360 10.770 ( 2.743 9.320 0.914) 9.758 11.756 ( -12.597 -35.224 -0.118) 37.409 12.516 ( 5.873 16.169 0.266) 17.205 12.745 ( 11.095 -1.969 -3.028) 11.669 13.969 ( -7.152 -7.564 -1.200) 10.479 14.213 ( 0.010 -4.601 0.124) 4.602 15.957 ( 19.516 -17.662 4.790) 26.754 16.593 ( 0.081 1.558 1.062) 1.887 16.911 ( 1.095 0.829 -0.918) 1.652 18.756 ( -0.021 -4.280 -6.369) 7.673 20.787 ( -1.780 0.841 3.781) 4.262 21.531 ( -0.801 -2.090 1.025) 2.462 23.156 ( -2.837 9.855 -1.983) 10.445 ======================= Grid point 508 (244/267) ======================= q-point: (-0.21 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -4.073 -1.763 -4.755) 6.505 2.615 ( -5.909 -2.320 -4.549) 7.810 2.867 ( 0.512 -0.706 0.003) 0.872 3.052 ( -9.885 -11.538 2.015) 15.327 3.461 ( 1.727 -12.616 -7.067) 14.564 3.638 ( -3.949 -5.611 -2.612) 7.341 3.814 ( 1.676 -15.895 9.606) 18.648 4.131 ( -1.589 1.605 3.401) 4.082 4.781 ( 10.075 -18.054 -1.806) 20.754 4.898 ( 4.513 0.934 2.526) 5.256 5.130 ( -0.421 -8.167 -3.231) 8.793 5.224 ( 6.148 -15.352 1.857) 16.641 5.653 ( -7.137 -5.576 1.428) 9.168 5.882 ( -3.563 -1.697 -0.049) 3.947 6.267 ( -1.693 2.120 0.632) 2.785 6.376 ( 10.081 -8.205 -1.777) 13.119 6.782 ( -9.557 -9.888 1.839) 13.874 7.524 ( -14.045 -32.777 0.194) 35.660 7.902 ( -8.820 -13.821 -0.459) 16.402 8.878 ( -0.878 -7.416 2.503) 7.876 9.174 ( -5.848 -2.747 -2.358) 6.878 9.761 ( 13.568 4.521 -1.775) 14.411 10.375 ( 6.097 -4.629 -0.633) 7.681 10.796 ( 14.612 -10.078 0.969) 17.776 11.990 ( -14.402 -4.219 0.356) 15.011 12.251 ( 2.270 10.232 -0.229) 10.483 12.971 ( 11.907 -7.581 -0.920) 14.145 13.848 ( -5.050 9.770 -0.489) 11.009 14.625 ( 1.146 -31.659 -3.125) 31.834 16.068 ( 9.919 12.941 5.576) 17.232 16.588 ( 3.230 0.664 -0.116) 3.300 17.182 ( 8.720 -21.468 0.833) 23.186 18.822 ( -1.004 -4.780 -5.141) 7.091 20.681 ( -4.724 8.211 2.884) 9.903 21.613 ( -0.210 -6.394 0.502) 6.417 22.937 ( -4.585 10.869 -1.617) 11.907 ======================= Grid point 509 (245/267) ======================= q-point: (-0.14 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( -1.547 -2.224 -4.498) 5.251 2.593 ( -4.970 -1.239 -6.268) 8.095 2.887 ( -0.240 -1.557 0.441) 1.636 3.105 ( -5.224 -1.351 1.228) 5.534 3.611 ( -0.704 -6.737 -5.929) 9.002 3.753 ( -4.578 -9.582 -2.313) 10.869 4.078 ( -2.086 0.259 7.139) 7.442 4.124 ( 0.122 -10.010 5.014) 11.197 4.915 ( 3.326 0.129 -0.010) 3.328 5.073 ( 4.640 -8.213 0.942) 9.480 5.330 ( 5.033 -12.329 -4.653) 14.107 5.475 ( 2.417 -8.363 1.981) 8.928 5.702 ( 0.916 -2.195 1.975) 3.092 5.871 ( -5.326 -1.145 1.007) 5.540 6.227 ( -2.165 0.473 0.661) 2.312 6.564 ( 6.853 -6.141 -0.796) 9.236 6.834 ( -9.528 -3.577 0.948) 10.221 7.808 ( -7.195 -9.049 1.474) 11.655 8.222 ( -6.708 -23.362 -1.100) 24.331 9.054 ( -2.515 -13.837 0.581) 14.076 9.256 ( -3.363 -9.519 -0.574) 10.112 9.802 ( 7.778 -1.220 -2.985) 8.420 10.345 ( 3.509 7.902 -0.042) 8.646 11.110 ( 15.948 0.276 0.168) 15.952 11.886 ( 4.858 0.692 0.528) 4.936 12.244 ( -12.920 -9.457 0.045) 16.012 13.143 ( 6.923 -4.533 0.400) 8.284 13.625 ( -4.556 9.799 -0.918) 10.845 15.157 ( 0.902 -24.169 -4.775) 24.653 15.868 ( 5.011 14.162 6.112) 16.218 16.630 ( 5.965 -2.062 -0.104) 6.312 17.611 ( 9.071 -15.857 0.593) 18.278 18.895 ( -1.018 -4.995 -2.898) 5.863 20.472 ( -6.011 9.886 1.531) 11.671 21.740 ( 0.504 -7.131 0.380) 7.158 22.689 ( -5.644 11.775 -1.052) 13.100 ======================= Grid point 510 (246/267) ======================= q-point: (-0.07 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -0.985 -1.299 -4.665) 4.941 2.568 ( -2.664 -0.586 -5.461) 6.104 2.920 ( -1.058 -2.278 0.644) 2.593 3.074 ( -0.520 1.696 0.018) 1.774 3.717 ( 2.102 -6.064 -3.969) 7.546 3.844 ( -6.338 -3.436 2.016) 7.486 4.023 ( -1.432 2.176 0.559) 2.664 4.288 ( 0.329 -4.927 3.352) 5.968 4.934 ( 0.470 -0.365 1.063) 1.218 5.223 ( 2.110 -6.067 0.430) 6.438 5.538 ( 4.221 -5.984 -2.964) 7.900 5.587 ( -1.408 -3.693 0.065) 3.953 5.747 ( 6.748 0.777 2.762) 7.333 5.866 ( -4.342 -2.059 1.497) 5.034 6.227 ( -1.508 -1.451 0.881) 2.271 6.686 ( 1.808 -2.924 0.518) 3.476 6.811 ( -4.869 -1.044 0.037) 4.979 7.873 ( -2.922 -2.767 2.245) 4.608 8.493 ( -3.041 -10.127 -1.539) 10.685 9.357 ( -4.192 -17.448 -1.165) 17.982 9.423 ( 0.342 -12.570 1.233) 12.635 9.912 ( -0.825 -8.359 -3.760) 9.203 10.164 ( 4.340 15.223 0.525) 15.838 10.943 ( 9.375 20.556 0.002) 22.593 12.103 ( 12.305 -10.341 0.555) 16.082 12.321 ( -14.153 -8.637 0.183) 16.582 13.254 ( 4.519 -2.931 1.112) 5.500 13.448 ( -3.902 5.447 -1.695) 6.912 15.463 ( -1.161 -11.160 -5.279) 12.400 15.693 ( 3.029 8.984 5.987) 11.213 16.735 ( 5.339 -3.535 0.889) 6.464 17.863 ( 4.745 -6.409 -0.628) 7.999 18.972 ( -0.385 -4.185 -0.912) 4.301 20.276 ( -4.153 6.841 0.498) 8.019 21.877 ( 1.498 -6.896 0.248) 7.061 22.437 ( -5.052 10.665 -0.525) 11.813 ======================= Grid point 519 (247/267) ======================= q-point: (-0.43 -0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 2.095 0.000 0.119) 2.098 1.839 ( -8.320 -0.000 3.199) 8.914 2.329 ( -17.690 -0.000 -5.647) 18.569 2.566 ( -0.433 -0.000 -1.463) 1.526 2.700 ( -4.003 -0.000 -5.177) 6.544 2.820 ( 1.695 0.000 -2.208) 2.784 3.003 ( 6.408 0.000 -2.110) 6.747 3.324 ( 4.046 0.000 6.938) 8.031 3.454 ( 1.510 0.000 1.008) 1.816 4.294 ( -0.596 -0.000 0.047) 0.598 4.413 ( 3.078 0.000 7.554) 8.157 4.774 ( 1.287 0.000 -3.788) 4.001 4.960 ( 4.187 0.000 -0.016) 4.187 5.141 ( -0.136 -0.000 0.024) 0.138 5.978 ( 0.018 0.000 0.540) 0.540 6.290 ( -1.208 -0.000 0.912) 1.513 6.587 ( -5.750 -0.000 0.761) 5.800 6.939 ( -1.995 -0.000 -0.001) 1.995 7.588 ( -30.980 -0.000 -0.626) 30.986 8.561 ( 19.512 0.000 -1.851) 19.599 9.444 ( 3.078 0.000 0.026) 3.078 9.511 ( -7.826 -0.000 0.499) 7.842 9.627 ( 0.961 0.000 0.574) 1.119 10.059 ( 18.664 0.000 0.017) 18.664 11.279 ( -0.225 -0.000 0.059) 0.233 13.041 ( -18.612 -0.000 -2.722) 18.810 13.249 ( -2.113 -0.000 -3.552) 4.133 13.852 ( -0.324 -0.000 -0.037) 0.326 14.095 ( 29.634 0.000 4.239) 29.936 14.445 ( 2.418 0.000 1.463) 2.826 16.587 ( 0.041 0.000 0.069) 0.080 17.426 ( 0.003 0.000 -0.044) 0.044 18.638 ( 1.190 0.000 -7.998) 8.086 20.550 ( 1.790 0.000 4.375) 4.727 21.625 ( 0.210 0.000 3.465) 3.472 23.511 ( -0.471 -0.000 -2.713) 2.753 ======================= Grid point 520 (248/267) ======================= q-point: (-0.36 -0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -8.187 -21.575 1.240) 23.109 2.135 ( -10.098 -16.381 -3.693) 19.595 2.226 ( -11.450 -29.238 -1.281) 31.426 2.574 ( -1.229 -2.815 -4.467) 5.421 2.701 ( -5.350 -8.729 -0.229) 10.241 3.008 ( 11.533 -8.626 -4.125) 14.981 3.207 ( 5.419 -20.669 -2.812) 21.552 3.423 ( -2.657 -7.417 6.194) 10.022 3.660 ( 2.362 -20.636 3.903) 21.135 4.265 ( -0.562 2.310 0.185) 2.385 4.618 ( 4.624 -17.911 5.635) 19.338 4.818 ( 0.199 -4.140 -1.987) 4.596 4.998 ( 5.928 -0.478 -0.033) 5.947 5.208 ( 0.229 -7.827 -0.926) 7.884 5.955 ( -1.177 1.714 -2.205) 3.031 6.294 ( -1.338 -1.180 2.454) 3.034 6.497 ( -8.716 3.150 1.476) 9.385 6.892 ( -5.681 2.511 0.170) 6.213 7.439 ( -24.031 -6.905 -0.124) 25.004 8.688 ( 12.926 -0.895 -0.906) 12.989 9.411 ( -8.992 3.728 0.037) 9.734 9.645 ( 2.220 -3.167 -0.642) 3.921 9.862 ( 2.111 -33.734 -0.020) 33.800 10.203 ( 24.105 -2.384 -0.208) 24.223 11.197 ( 0.706 8.516 0.646) 8.569 12.779 ( -13.285 8.709 -4.111) 16.408 13.163 ( 4.469 9.370 -1.552) 10.497 13.775 ( -1.679 2.952 0.164) 3.400 14.360 ( -4.721 0.309 -0.188) 4.735 14.785 ( 32.043 -30.119 5.831) 44.361 16.598 ( 0.055 -0.994 0.045) 0.997 17.326 ( 0.036 10.423 0.093) 10.424 18.637 ( -0.468 -1.846 -9.908) 10.089 20.632 ( 3.168 -5.103 5.452) 8.111 21.609 ( 1.067 3.188 3.651) 4.963 23.446 ( -2.610 4.987 -4.359) 7.119 ======================= Grid point 521 (249/267) ======================= q-point: (-0.29 -0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( -17.231 -6.639 -7.907) 20.088 2.307 ( -11.996 -22.670 4.204) 25.990 2.527 ( -3.872 -4.046 -3.555) 6.634 2.712 ( -1.633 -12.499 -4.554) 13.403 2.917 ( 4.146 -9.033 2.023) 10.143 3.373 ( 5.142 -15.274 1.821) 16.219 3.519 ( -6.381 -6.409 3.229) 9.603 3.732 ( 12.090 -33.276 -2.823) 35.517 4.190 ( -0.190 -5.380 0.665) 5.424 4.298 ( 5.724 -29.317 5.093) 30.302 4.881 ( -1.532 -5.405 -7.736) 9.560 4.964 ( 3.714 -4.469 4.789) 7.530 5.169 ( -1.322 -17.308 4.710) 17.986 5.505 ( 6.090 -27.953 -3.079) 28.774 5.905 ( -2.142 0.552 -4.007) 4.577 6.324 ( -0.187 -1.373 2.636) 2.978 6.398 ( -11.860 -1.382 2.420) 12.183 6.794 ( -12.492 -0.879 0.495) 12.533 7.472 ( -13.328 -10.580 -0.181) 17.018 8.772 ( 5.898 -0.651 0.631) 5.967 9.257 ( -9.175 5.023 -0.983) 10.506 9.753 ( 1.248 -7.970 -1.453) 8.197 10.175 ( 25.453 3.934 0.078) 25.756 10.802 ( -5.354 -30.602 0.361) 31.069 11.083 ( 7.265 -5.922 0.197) 9.375 12.644 ( 1.979 -1.095 -3.394) 4.079 12.966 ( 5.273 15.022 -2.088) 16.057 13.757 ( -4.637 -4.595 -0.641) 6.560 14.260 ( -5.172 5.255 0.175) 7.375 15.644 ( 30.928 -33.977 6.949) 46.467 16.613 ( 0.259 -0.078 0.183) 0.327 17.087 ( 0.041 14.383 0.240) 14.385 18.657 ( -2.083 -3.774 -10.342) 11.205 20.762 ( 2.332 -4.016 6.094) 7.662 21.550 ( 0.319 3.760 2.041) 4.291 23.285 ( -5.335 8.029 -4.588) 10.676 ======================= Grid point 522 (250/267) ======================= q-point: (-0.21 -0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -12.408 -7.024 -7.976) 16.337 2.504 ( -8.365 -4.799 -0.266) 9.648 2.658 ( -10.213 -18.157 0.924) 20.853 2.841 ( -1.724 -4.348 -5.271) 7.047 3.195 ( 6.071 -15.904 -0.956) 17.050 3.528 ( -6.996 -4.771 0.744) 8.501 3.647 ( 7.293 -8.429 7.155) 13.245 4.154 ( -1.559 1.345 1.913) 2.811 4.417 ( 9.375 -28.840 -0.310) 30.327 4.899 ( 2.512 -10.982 3.473) 11.789 4.973 ( 7.485 -16.719 -4.312) 18.819 5.032 ( 4.733 -1.338 -0.156) 4.921 5.395 ( -11.120 -12.953 2.122) 17.203 5.850 ( -0.303 -1.209 -3.835) 4.033 6.229 ( 11.479 -23.396 -0.176) 26.061 6.298 ( -0.397 -1.335 0.547) 1.497 6.460 ( -11.784 -13.594 3.604) 18.348 6.829 ( -17.391 -19.519 -0.177) 26.143 7.594 ( -10.090 -12.009 -0.437) 15.691 8.812 ( 1.473 -1.268 2.195) 2.932 9.118 ( -7.781 2.342 -2.490) 8.499 9.899 ( 5.723 -3.456 -1.719) 6.903 10.335 ( 22.143 -3.304 -0.354) 22.391 10.820 ( 2.845 2.761 1.473) 4.229 11.559 ( -13.048 -23.997 0.067) 27.315 12.631 ( 8.545 18.367 0.023) 20.258 12.905 ( 13.063 -9.447 -4.136) 16.643 13.881 ( -3.876 -6.964 -1.235) 8.065 14.181 ( -3.508 -8.475 -1.524) 9.298 16.331 ( 25.625 -5.662 8.023) 27.443 16.605 ( 1.414 -0.458 0.653) 1.624 16.942 ( 4.281 -5.378 -0.086) 6.874 18.698 ( -3.620 -5.348 -8.929) 11.020 20.780 ( -1.976 4.564 5.563) 7.462 21.528 ( -0.205 -2.036 0.038) 2.047 23.071 ( -7.339 9.117 -3.354) 12.175 ======================= Grid point 523 (251/267) ======================= q-point: (-0.14 -0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( -7.555 -6.469 -6.377) 11.815 2.510 ( -5.516 -2.868 -3.734) 7.253 2.846 ( -4.906 -4.608 1.495) 6.895 2.911 ( -6.906 -11.285 -2.909) 13.546 3.451 ( 0.558 -9.268 -4.282) 10.225 3.585 ( -1.059 -6.125 -3.275) 7.026 3.917 ( 5.404 -12.908 11.410) 18.056 4.116 ( -2.732 1.789 4.175) 5.300 4.892 ( 4.876 -12.429 -3.336) 13.761 4.968 ( 2.283 -4.897 5.187) 7.490 5.117 ( 3.218 -8.475 -6.856) 11.366 5.336 ( 5.499 -9.993 3.480) 11.925 5.559 ( -3.661 -12.592 0.036) 13.113 5.847 ( -1.396 -0.088 -1.407) 1.985 6.222 ( -4.882 1.289 1.501) 5.268 6.547 ( 9.443 -6.027 -1.938) 11.369 6.621 ( -9.535 -7.848 3.698) 12.891 7.342 ( -9.660 -36.729 -0.199) 37.978 7.767 ( -8.879 -16.608 -0.744) 18.847 8.879 ( -0.836 -5.638 3.021) 6.451 9.073 ( -5.971 -4.322 -3.536) 8.175 9.939 ( 11.216 4.468 -2.223) 12.276 10.473 ( 7.821 2.426 -0.059) 8.189 11.022 ( 14.446 -16.296 1.017) 21.801 11.745 ( -17.410 -12.441 0.404) 21.402 12.321 ( 5.875 18.760 -0.563) 19.666 13.118 ( 8.671 -4.284 -0.965) 9.720 13.767 ( -5.728 9.432 -0.247) 11.038 14.644 ( 4.500 -31.911 -4.957) 32.605 16.228 ( 7.327 18.371 6.607) 20.853 16.656 ( 6.509 -0.383 -1.011) 6.598 17.369 ( 16.048 -21.077 2.384) 26.598 18.761 ( -4.255 -6.653 -5.615) 9.690 20.609 ( -7.109 10.206 3.050) 12.806 21.616 ( 0.437 -6.696 -0.150) 6.712 22.835 ( -8.105 9.988 -1.823) 12.992 ======================= Grid point 524 (252/267) ======================= q-point: (-0.07 -0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( -4.809 -4.988 -5.335) 8.745 2.522 ( -1.732 -2.248 -3.756) 4.708 2.871 ( -2.111 -1.968 0.538) 2.936 3.028 ( -4.842 -5.858 -0.985) 7.663 3.590 ( -0.335 -8.295 -1.976) 8.534 3.700 ( 0.876 -6.818 -5.124) 8.573 4.061 ( -2.956 2.740 3.854) 5.577 4.182 ( 2.695 -9.135 7.252) 11.971 4.951 ( 1.498 0.202 -0.629) 1.637 5.107 ( -0.451 -6.421 2.706) 6.982 5.380 ( 3.485 -13.291 -5.818) 14.921 5.485 ( -1.965 -6.304 2.124) 6.937 5.763 ( 8.081 -6.399 -0.393) 10.315 5.836 ( -0.635 0.286 0.993) 1.213 6.187 ( -3.967 -0.880 2.002) 4.530 6.655 ( -11.447 -4.525 2.377) 12.536 6.699 ( 7.315 -4.292 -0.981) 8.538 7.696 ( -8.850 -11.894 0.555) 14.836 8.153 ( -1.187 -25.755 -0.812) 25.795 9.026 ( -2.024 -11.679 1.428) 11.939 9.186 ( -5.076 -12.865 -2.009) 13.975 9.921 ( 9.987 4.866 -3.202) 11.561 10.422 ( 6.498 8.717 0.729) 10.897 11.311 ( 10.578 4.145 0.241) 11.364 11.880 ( -7.828 -16.083 0.432) 17.892 12.133 ( -0.094 1.236 -0.027) 1.240 13.222 ( 3.619 -3.163 0.163) 4.809 13.549 ( -5.055 9.031 -0.801) 10.380 15.157 ( 2.402 -21.083 -5.386) 21.893 15.963 ( 3.923 15.846 6.489) 17.567 16.733 ( 8.228 -2.226 -0.605) 8.545 17.769 ( 12.026 -10.452 0.116) 15.934 18.855 ( -2.949 -7.304 -1.327) 7.988 20.372 ( -8.436 8.777 0.688) 12.193 21.755 ( 1.209 -7.621 0.215) 7.719 22.585 ( -7.747 10.576 -0.895) 13.140 ======================= Grid point 534 (253/267) ======================= q-point: (-0.36 -0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 0.475 0.000 -0.424) 0.636 1.713 ( -9.653 -0.000 5.126) 10.930 1.946 ( -27.696 -0.000 -10.032) 29.457 2.541 ( -1.647 -0.000 -2.782) 3.233 2.591 ( -5.817 -0.000 -8.322) 10.154 2.827 ( 0.287 0.000 -1.970) 1.991 3.133 ( 11.485 0.000 -0.327) 11.490 3.379 ( -4.012 -0.000 10.437) 11.181 3.497 ( 3.675 0.000 0.889) 3.781 4.282 ( -1.136 -0.000 0.240) 1.161 4.524 ( 8.741 0.000 1.528) 8.873 4.774 ( -1.452 -0.000 2.102) 2.555 5.048 ( 7.733 0.000 0.122) 7.734 5.139 ( -0.246 -0.000 0.119) 0.273 5.954 ( -2.088 -0.000 -3.905) 4.428 6.271 ( -3.798 -0.000 3.301) 5.032 6.477 ( -8.921 -0.000 2.017) 9.146 6.898 ( -3.451 -0.000 -0.045) 3.452 7.182 ( -22.613 -0.000 0.756) 22.625 8.770 ( 10.146 0.000 -1.503) 10.257 9.380 ( -10.270 -0.000 0.647) 10.290 9.508 ( 5.388 0.000 0.006) 5.388 9.622 ( -1.003 -0.000 -1.565) 1.859 10.420 ( 28.926 0.000 -0.061) 28.926 11.282 ( 0.478 0.000 1.150) 1.245 12.715 ( -20.090 -0.000 -6.025) 20.974 13.278 ( 4.993 0.000 -1.585) 5.238 13.845 ( -0.561 -0.000 0.038) 0.562 14.286 ( -2.792 -0.000 -0.404) 2.821 14.783 ( 37.575 0.000 8.141) 38.447 16.587 ( 0.005 0.000 -0.110) 0.110 17.427 ( 0.032 0.000 0.075) 0.081 18.583 ( -2.571 -0.000 -12.948) 13.201 20.635 ( 6.601 0.000 7.584) 10.055 21.670 ( 3.689 0.000 4.116) 5.527 23.452 ( -5.370 -0.000 -7.244) 9.017 ======================= Grid point 535 (254/267) ======================= q-point: (-0.29 -0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -19.707 -10.258 -3.732) 22.528 1.804 ( -19.420 -17.649 -2.972) 26.409 2.233 ( 4.406 -42.221 0.947) 42.461 2.516 ( -3.472 -3.882 -5.773) 7.776 2.607 ( -6.222 -9.090 -2.171) 11.227 3.162 ( 4.460 -23.570 -4.057) 24.328 3.254 ( 6.671 -8.494 0.432) 10.809 3.428 ( -0.001 -10.618 7.458) 12.975 3.694 ( 0.053 -19.804 3.570) 20.123 4.254 ( -1.371 1.827 0.800) 2.421 4.690 ( 2.049 -10.551 -11.533) 15.765 4.830 ( 1.931 -7.005 13.348) 15.198 5.108 ( 8.136 -0.221 1.273) 8.238 5.213 ( 1.752 -8.833 -1.163) 9.080 5.902 ( -3.517 2.126 -5.802) 7.110 6.251 ( -8.602 -1.927 3.932) 9.652 6.388 ( -4.917 3.559 2.118) 6.429 6.754 ( -11.634 6.040 0.659) 13.125 7.209 ( -8.070 -11.203 0.666) 13.823 8.813 ( 5.233 0.748 -0.820) 5.350 9.265 ( -10.743 3.618 0.151) 11.337 9.635 ( -2.526 -3.937 -1.955) 5.069 9.918 ( 5.350 -34.524 -0.141) 34.936 10.605 ( 28.998 2.648 -0.212) 29.120 11.225 ( 2.923 6.613 1.461) 7.376 12.572 ( -11.104 -2.005 -6.662) 13.103 13.229 ( 5.514 9.238 -1.729) 10.896 13.757 ( -0.862 5.588 -0.074) 5.655 14.267 ( -7.795 0.384 -0.304) 7.810 15.346 ( 38.653 -25.656 9.209) 47.298 16.600 ( 0.216 -1.176 -0.183) 1.210 17.330 ( 0.273 10.264 0.397) 10.275 18.548 ( -4.501 -2.378 -14.434) 15.306 20.745 ( 8.321 -3.093 9.209) 12.791 21.658 ( 3.503 5.227 1.955) 6.589 23.336 ( -9.252 4.621 -8.273) 13.244 ======================= Grid point 536 (255/267) ======================= q-point: (-0.21 -0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -20.910 -11.647 -10.618) 26.184 2.155 ( -12.562 -23.392 8.030) 27.739 2.436 ( -5.426 -3.055 -6.833) 9.245 2.644 ( -3.891 -10.261 -6.559) 12.785 3.014 ( 7.751 -15.769 2.246) 17.714 3.353 ( -10.288 -7.522 2.573) 13.002 3.532 ( 6.251 -14.699 6.011) 17.067 3.919 ( 13.847 -27.587 -3.005) 31.013 4.188 ( -0.994 -2.377 3.232) 4.133 4.370 ( 0.996 -41.432 3.166) 41.565 4.785 ( -6.742 -7.034 -8.716) 13.073 5.052 ( 5.921 -5.276 3.470) 8.657 5.188 ( 1.825 -3.612 3.227) 5.176 5.608 ( 8.722 -32.449 -0.778) 33.610 5.832 ( -4.599 -1.258 -5.996) 7.660 6.229 ( -12.359 -2.765 3.901) 13.252 6.316 ( -4.019 0.580 1.687) 4.397 6.621 ( -7.706 -0.072 0.785) 7.746 7.356 ( -3.973 -8.624 0.482) 9.507 8.827 ( 1.748 0.398 0.219) 1.806 9.113 ( -9.573 4.094 -0.906) 10.451 9.739 ( -2.433 -10.225 -1.825) 10.668 10.494 ( 12.741 -13.168 0.056) 18.323 10.759 ( 4.009 -3.916 0.439) 5.621 11.216 ( 10.433 -4.744 0.749) 11.485 12.709 ( 9.789 -16.469 -6.757) 20.314 13.030 ( 5.046 15.814 -2.134) 16.736 13.705 ( -2.061 -2.993 -0.887) 3.740 14.155 ( -8.859 4.278 -0.258) 9.841 16.185 ( 36.418 -30.817 10.129) 48.771 16.623 ( 1.399 -0.398 -0.127) 1.460 17.094 ( 0.643 14.711 0.837) 14.748 18.541 ( -6.537 -4.776 -13.644) 15.865 20.857 ( 6.302 1.000 9.770) 11.670 21.554 ( -0.964 5.627 -2.441) 6.208 23.135 ( -11.872 6.477 -5.876) 14.746 ======================= Grid point 537 (256/267) ======================= q-point: (-0.14 -0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -14.380 -13.358 -8.856) 21.533 2.373 ( -10.493 -7.655 4.813) 13.851 2.516 ( -7.907 -14.539 -4.754) 17.220 2.782 ( -1.991 -7.402 -7.022) 10.395 3.293 ( 7.426 -10.253 -0.908) 12.692 3.419 ( -8.560 -8.420 2.196) 12.206 3.807 ( 8.988 -8.649 9.303) 15.561 4.135 ( -2.523 1.431 2.948) 4.136 4.542 ( 6.947 -26.935 0.626) 27.824 4.835 ( -6.025 -6.519 -5.901) 10.659 5.118 ( 6.864 -18.008 1.892) 19.365 5.146 ( 8.900 -12.532 -0.980) 15.402 5.257 ( -5.036 -5.392 2.284) 7.723 5.800 ( -3.849 -2.818 -6.123) 7.762 6.186 ( -9.580 -1.042 2.258) 9.897 6.314 ( -10.815 -6.574 3.125) 13.036 6.465 ( 7.282 -46.134 -0.211) 46.706 6.655 ( 3.233 -4.623 0.356) 5.652 7.464 ( -8.415 -9.000 0.212) 12.323 8.832 ( 0.101 -0.477 1.464) 1.543 8.998 ( -6.640 1.104 -2.507) 7.183 9.935 ( 0.359 -10.594 -1.844) 10.759 10.644 ( 19.297 7.361 -0.225) 20.655 10.841 ( -1.832 -11.592 1.452) 11.825 11.418 ( -4.834 -9.986 0.520) 11.107 12.735 ( 5.492 19.938 -1.630) 20.745 13.092 ( 14.128 -8.626 -3.598) 16.940 13.841 ( -1.783 -1.206 -0.720) 2.270 14.130 ( 0.329 -20.423 -4.260) 20.865 16.592 ( 2.812 9.196 2.891) 10.042 16.740 ( 15.134 5.964 3.291) 16.596 17.103 ( 20.295 -22.863 4.233) 30.863 18.568 ( -8.385 -7.273 -10.106) 15.011 20.771 ( -3.596 11.567 5.732) 13.401 21.514 ( -1.263 -3.697 -2.642) 4.716 22.916 ( -11.448 7.124 -2.458) 13.706 ======================= Grid point 538 (257/267) ======================= q-point: (-0.07 -0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -9.099 -10.814 -6.104) 15.395 2.427 ( -4.323 -5.333 -1.440) 7.015 2.731 ( -8.723 -14.003 1.005) 16.528 2.859 ( 0.142 -4.524 -5.195) 6.890 3.444 ( -0.193 -6.262 -1.105) 6.362 3.580 ( 2.613 -9.123 -3.600) 10.150 4.049 ( 5.323 -9.359 10.112) 14.770 4.091 ( -2.790 1.820 3.456) 4.800 4.877 ( -2.951 -6.661 -4.205) 8.412 5.006 ( -0.730 -14.062 4.617) 14.819 5.158 ( 3.137 -3.717 -3.095) 5.766 5.353 ( -1.390 -7.459 -0.949) 7.646 5.635 ( 12.027 -16.029 0.501) 20.046 5.817 ( -1.530 -2.405 -1.950) 3.454 6.145 ( -6.380 -0.649 2.056) 6.734 6.366 ( -16.867 -10.316 0.703) 19.784 6.772 ( 10.046 -0.906 0.687) 10.110 7.268 ( -0.304 -31.501 0.990) 31.518 7.649 ( -5.598 -22.688 -0.647) 23.377 8.877 ( -1.334 -4.988 2.994) 5.968 8.978 ( -4.160 -4.393 -4.347) 7.450 10.059 ( 6.711 -0.546 -2.155) 7.070 10.612 ( 10.914 6.948 0.654) 12.954 11.169 ( 1.290 -19.489 0.607) 19.541 11.539 ( -7.422 -11.430 0.609) 13.641 12.395 ( 4.333 20.169 -1.328) 20.672 13.213 ( 4.700 -0.934 -0.826) 4.862 13.677 ( -6.354 9.314 -0.197) 11.276 14.727 ( 10.367 -29.475 -6.162) 31.847 16.331 ( 3.201 19.030 5.804) 20.151 16.769 ( 9.583 -0.572 -1.480) 9.713 17.664 ( 21.902 -15.056 2.332) 26.680 18.651 ( -7.684 -10.340 -3.462) 13.340 20.486 ( -11.392 12.072 0.659) 16.612 21.622 ( 0.703 -7.607 -0.246) 7.643 22.694 ( -9.887 8.498 -0.733) 13.058 ======================= Grid point 549 (258/267) ======================= q-point: (-0.29 -0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -12.808 -0.000 3.064) 13.170 1.478 ( -28.467 -0.000 -10.548) 30.358 1.673 ( 1.796 0.000 3.465) 3.902 2.458 ( -7.373 -0.000 -8.736) 11.432 2.494 ( -2.649 -0.000 -4.309) 5.058 2.809 ( -1.708 -0.000 -1.308) 2.151 3.269 ( -15.638 -0.000 10.096) 18.614 3.329 ( 12.798 0.000 1.036) 12.840 3.566 ( 5.206 0.000 0.618) 5.243 4.263 ( -1.682 -0.000 0.397) 1.728 4.565 ( -3.894 -0.000 -12.352) 12.951 4.832 ( 7.814 0.000 14.526) 16.494 5.135 ( -0.343 -0.000 0.195) 0.395 5.189 ( 11.162 0.000 0.988) 11.206 5.887 ( -3.914 -0.000 -5.521) 6.768 6.164 ( -11.466 -0.000 2.442) 11.723 6.411 ( -1.230 -0.000 2.673) 2.942 6.841 ( -4.085 -0.000 -0.071) 4.086 6.941 ( -12.062 -0.000 2.211) 12.263 8.863 ( 4.006 0.000 -1.650) 4.333 9.223 ( -11.176 -0.000 0.662) 11.196 9.588 ( -2.544 -0.000 -2.133) 3.320 9.596 ( 6.473 0.000 -0.021) 6.473 10.858 ( 29.312 0.000 -0.222) 29.313 11.310 ( 2.802 0.000 1.865) 3.366 12.414 ( -16.969 -0.000 -8.775) 19.104 13.357 ( 6.410 0.000 -1.773) 6.651 13.836 ( -0.682 -0.000 0.100) 0.690 14.193 ( -8.444 -0.000 -0.488) 8.458 15.414 ( 40.952 0.000 10.908) 42.379 16.586 ( -0.035 -0.000 -0.237) 0.240 17.428 ( 0.033 0.000 0.155) 0.159 18.449 ( -6.406 -0.000 -17.557) 18.689 20.824 ( 13.784 0.000 12.272) 18.456 21.755 ( 5.808 0.000 -1.259) 5.943 23.270 ( -14.438 -0.000 -10.956) 18.124 ======================= Grid point 550 (259/267) ======================= q-point: (-0.21 -0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -24.397 -6.717 -9.194) 26.924 1.590 ( -14.504 -26.935 5.929) 31.161 2.296 ( 1.776 -22.455 -4.628) 22.996 2.438 ( -2.201 -19.033 -4.531) 19.689 2.518 ( -3.583 -14.763 -1.961) 15.317 3.055 ( -14.948 -16.793 4.911) 23.013 3.360 ( 0.989 -13.967 -2.223) 14.177 3.511 ( 7.987 -25.185 6.004) 27.095 3.729 ( 5.263 -12.392 0.059) 13.463 4.230 ( -2.478 1.745 1.296) 3.296 4.562 ( -9.640 -7.254 -9.759) 15.518 4.995 ( 10.931 -6.101 8.051) 14.884 5.184 ( 1.238 -4.218 0.438) 4.418 5.313 ( 11.939 -6.558 2.156) 13.792 5.810 ( -4.997 3.164 -5.783) 8.272 6.105 ( -10.593 -2.040 1.887) 10.951 6.351 ( -3.912 5.834 2.409) 7.425 6.622 ( -5.837 5.552 1.546) 8.203 7.155 ( -1.011 -14.388 1.186) 14.472 8.847 ( 0.129 1.807 -1.030) 2.084 9.111 ( -9.786 3.224 0.156) 10.304 9.564 ( -5.611 -4.063 -1.904) 7.184 10.001 ( 5.520 -30.336 -0.173) 30.834 10.998 ( 22.954 6.595 -0.286) 23.885 11.315 ( 9.315 2.542 1.540) 9.777 12.399 ( -7.375 -14.382 -10.898) 19.493 13.307 ( 6.162 9.838 -1.658) 11.726 13.746 ( -0.684 6.465 -0.232) 6.505 14.132 ( -10.216 0.650 -0.284) 10.241 15.967 ( 38.558 -23.236 12.099) 46.616 16.605 ( 0.806 -1.897 -0.342) 2.089 17.339 ( 0.703 9.593 0.607) 9.638 18.380 ( -8.235 -2.715 -18.492) 20.424 20.975 ( 16.652 0.030 14.301) 21.950 21.683 ( -1.245 9.319 -9.145) 13.115 23.097 ( -17.644 2.762 -7.697) 19.447 ======================= Grid point 551 (260/267) ======================= q-point: (-0.14 -0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -17.280 -15.760 -8.328) 24.826 2.009 ( -12.769 -23.640 10.317) 28.781 2.310 ( -6.106 -3.544 -10.836) 12.933 2.549 ( -5.093 -10.952 -7.212) 14.068 3.117 ( -3.757 -14.656 5.653) 16.152 3.216 ( -1.362 -11.871 1.602) 12.056 3.668 ( 7.938 -18.776 5.912) 21.225 4.057 ( 5.444 -18.058 -3.458) 19.175 4.197 ( -0.579 -4.037 3.308) 5.251 4.363 ( -2.200 -48.861 2.295) 48.964 4.625 ( -9.005 -8.892 -6.303) 14.138 5.168 ( 8.473 -4.562 -0.788) 9.656 5.244 ( 3.731 0.611 1.169) 3.957 5.669 ( -3.376 -8.595 -9.616) 13.331 5.794 ( 5.918 -22.423 4.501) 23.623 6.086 ( -8.373 -2.272 3.173) 9.238 6.219 ( -8.541 1.377 2.102) 8.903 6.614 ( 4.339 -4.663 0.722) 6.410 7.337 ( 0.830 -4.273 1.504) 4.605 8.827 ( -1.698 -0.451 -0.916) 1.981 8.987 ( -6.421 3.175 -0.285) 7.169 9.667 ( -5.872 -12.689 -1.595) 14.073 10.493 ( -7.370 -20.646 0.882) 21.940 10.975 ( 19.435 10.864 -0.229) 22.267 11.382 ( 11.072 0.545 0.998) 11.130 12.834 ( 10.654 -26.271 -13.745) 31.506 13.127 ( 10.620 12.211 0.059) 16.183 13.691 ( 1.300 -4.678 -1.511) 5.085 14.006 ( -11.000 3.798 -0.495) 11.648 16.614 ( 4.669 -5.691 1.905) 7.604 16.809 ( 33.380 -25.629 9.689) 43.185 17.118 ( 2.715 15.400 1.545) 15.714 18.346 ( -10.953 -5.527 -16.441) 20.514 21.028 ( 8.341 13.359 10.079) 18.698 21.447 ( -9.976 1.991 -10.908) 14.915 22.910 ( -14.858 3.362 -1.331) 15.292 ======================= Grid point 552 (261/267) ======================= q-point: (-0.07 -0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -10.953 -17.080 -5.802) 21.103 2.244 ( -11.788 -10.821 10.852) 19.334 2.393 ( -3.430 -13.288 -11.974) 18.213 2.730 ( -0.943 -10.371 -7.325) 12.731 3.302 ( -8.399 -11.433 3.636) 14.645 3.397 ( 6.576 -8.542 -0.473) 10.791 3.973 ( 7.605 -7.590 8.656) 13.797 4.109 ( -2.791 1.498 3.332) 4.597 4.612 ( 2.387 -25.195 -1.060) 25.330 4.708 ( -7.167 -8.336 -4.813) 12.000 5.063 ( -8.808 -22.532 0.227) 24.193 5.236 ( 5.370 1.315 0.264) 5.535 5.409 ( 15.702 -17.189 1.024) 23.304 5.676 ( -8.671 -6.583 -7.189) 13.046 6.057 ( -8.556 -1.643 2.962) 9.202 6.159 ( -8.941 -4.130 -1.629) 9.983 6.451 ( -2.352 -30.444 3.176) 30.700 6.927 ( 22.405 -20.196 0.812) 30.175 7.341 ( -8.239 -1.128 1.360) 8.426 8.826 ( -1.065 -0.811 -0.669) 1.497 8.918 ( -2.854 0.336 -1.025) 3.051 9.907 ( -2.333 -15.547 -1.405) 15.784 10.724 ( -10.395 -14.157 1.253) 17.608 10.932 ( 16.193 6.942 -0.289) 17.621 11.430 ( 4.782 -0.391 0.802) 4.864 12.773 ( 1.578 17.359 -3.824) 17.846 13.252 ( 8.462 0.084 -2.054) 8.708 13.780 ( -6.810 7.014 0.039) 9.776 14.226 ( 17.365 -34.691 -7.968) 39.604 16.630 ( 1.835 7.172 2.266) 7.742 16.894 ( 7.623 9.491 0.004) 12.173 17.551 ( 33.025 -21.130 7.637) 39.943 18.361 ( -13.967 -10.329 -9.654) 19.874 20.657 ( -16.208 17.892 -3.389) 24.378 21.496 ( 1.834 -6.795 1.196) 7.139 22.740 ( -11.280 5.167 0.835) 12.435 ======================= Grid point 564 (262/267) ======================= q-point: (-0.21 -0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -21.114 -0.000 -3.898) 21.471 1.181 ( -17.224 -0.000 7.524) 18.795 1.745 ( 5.388 0.000 1.448) 5.579 2.297 ( -8.609 -0.000 -10.956) 13.934 2.429 ( -3.140 -0.000 -5.591) 6.413 2.769 ( -3.068 -0.000 -0.681) 3.143 2.971 ( -32.035 -0.000 17.537) 36.521 3.532 ( 14.913 0.000 -7.362) 16.632 3.649 ( 5.609 0.000 0.369) 5.622 4.237 ( -2.111 -0.000 0.492) 2.168 4.395 ( -10.588 -0.000 -5.534) 11.947 5.045 ( 12.402 0.000 4.845) 13.315 5.130 ( -0.372 -0.000 0.244) 0.445 5.384 ( 14.096 0.000 3.907) 14.628 5.807 ( -3.473 -0.000 -2.929) 4.543 6.017 ( -8.740 -0.000 0.513) 8.755 6.427 ( 1.028 0.000 2.732) 2.919 6.782 ( -3.915 -0.000 -0.073) 3.915 6.816 ( -7.226 -0.000 3.105) 7.865 8.881 ( -0.691 -0.000 -1.781) 1.911 9.076 ( -8.293 -0.000 0.366) 8.301 9.528 ( -4.559 -0.000 -1.689) 4.862 9.691 ( 6.243 0.000 -0.047) 6.243 11.209 ( 14.731 0.000 -0.715) 14.748 11.413 ( 12.691 0.000 0.949) 12.726 12.126 ( -16.356 -0.000 -12.767) 20.749 13.443 ( 6.077 0.000 -1.806) 6.340 13.827 ( -0.667 -0.000 0.138) 0.681 14.049 ( -10.597 -0.000 -0.385) 10.604 16.047 ( 36.765 0.000 13.825) 39.278 16.584 ( -0.061 -0.000 -0.287) 0.294 17.429 ( 0.010 0.000 0.183) 0.183 18.250 ( -8.274 -0.000 -22.022) 23.524 21.155 ( 21.655 0.000 16.023) 26.938 21.738 ( -6.107 -0.000 -22.749) 23.555 22.964 ( -19.044 -0.000 -2.316) 19.184 ======================= Grid point 565 (263/267) ======================= q-point: (-0.14 -0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -13.753 -7.587 -0.451) 15.714 1.415 ( -13.085 -30.399 8.039) 34.058 2.199 ( -7.038 -1.609 -10.977) 13.138 2.358 ( -8.812 -4.873 -5.549) 11.497 2.556 ( 7.142 -52.245 0.656) 52.735 2.807 ( -22.164 -14.175 11.822) 28.843 3.304 ( -4.903 -32.896 -1.222) 33.282 3.644 ( 7.372 -14.528 0.194) 16.293 3.845 ( 10.274 -13.051 -5.443) 17.479 4.195 ( -3.243 1.901 2.297) 4.405 4.391 ( -8.130 -7.174 -3.270) 11.325 5.151 ( 5.509 -2.777 -1.253) 6.295 5.195 ( 1.971 -6.066 -3.957) 7.506 5.532 ( 14.674 -4.314 4.536) 15.954 5.743 ( -0.339 3.749 1.264) 3.971 5.984 ( -6.495 -2.755 1.001) 7.126 6.269 ( -8.623 11.302 3.498) 14.640 6.593 ( 0.067 0.827 0.897) 1.222 7.188 ( 5.269 -18.553 1.859) 19.376 8.807 ( -4.525 2.647 -1.380) 5.421 9.004 ( -4.436 2.497 0.112) 5.092 9.465 ( -6.515 -2.897 -1.446) 7.276 10.060 ( 1.833 -23.885 0.372) 23.959 11.251 ( 13.404 3.670 -1.562) 13.985 11.510 ( 14.528 1.868 0.633) 14.662 12.241 ( -6.705 -30.077 -18.092) 35.734 13.395 ( 6.587 8.914 -0.813) 11.114 13.735 ( -0.525 6.476 -0.382) 6.509 13.973 ( -10.946 1.045 -0.192) 10.998 16.513 ( 20.282 -14.296 10.644) 27.000 16.652 ( 11.445 -11.074 3.788) 16.370 17.358 ( 1.648 7.726 0.853) 7.945 18.159 ( -8.297 -1.980 -22.892) 24.429 21.316 ( -8.104 -2.163 -6.512) 10.619 21.436 ( 2.813 18.332 -9.849) 21.000 22.845 ( -12.001 1.376 6.638) 13.783 ======================= Grid point 566 (264/267) ======================= q-point: (-0.07 -0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -7.089 -16.170 -0.077) 17.656 1.877 ( -11.703 -22.714 12.369) 28.388 2.179 ( -3.516 -5.783 -14.716) 16.198 2.415 ( -9.697 -16.121 -6.727) 19.979 2.976 ( -12.743 -15.606 11.165) 23.034 3.319 ( 9.035 -10.853 -4.144) 14.717 3.803 ( 6.725 -29.327 4.596) 30.437 4.057 ( -3.679 -20.070 -1.647) 20.471 4.148 ( -5.475 -5.064 2.179) 7.770 4.376 ( 3.119 -33.996 -1.646) 34.178 4.499 ( -5.611 -11.946 -2.160) 13.374 5.251 ( -2.615 -3.405 -1.270) 4.477 5.270 ( 4.586 -6.609 -8.182) 11.474 5.575 ( -0.460 3.586 -4.812) 6.018 5.905 ( 3.227 -11.999 0.974) 12.464 6.038 ( -0.709 -2.650 4.424) 5.206 6.138 ( -2.512 -7.124 7.370) 10.554 6.688 ( 3.899 -11.545 -0.459) 12.194 7.406 ( 7.512 1.580 2.538) 8.085 8.788 ( -0.872 -2.528 -2.360) 3.567 8.930 ( -2.223 2.663 0.704) 3.540 9.580 ( -3.966 -14.599 -1.060) 15.165 10.350 ( -12.764 -14.311 1.165) 19.212 11.253 ( 17.978 9.919 -0.501) 20.539 11.534 ( 8.807 4.563 0.709) 9.944 12.854 ( 2.080 -18.470 -17.689) 25.659 13.334 ( 14.491 1.640 -1.252) 14.637 13.760 ( 11.484 -17.493 -3.926) 21.291 13.839 ( -11.000 3.786 -0.542) 11.646 16.664 ( 3.644 -3.383 0.354) 4.985 17.112 ( 3.047 3.598 1.892) 5.081 17.396 ( 26.672 -21.053 14.105) 36.791 18.096 ( -9.348 -3.389 -20.937) 23.178 20.766 ( -43.164 14.620 -25.747) 52.343 21.513 ( 21.023 2.992 15.323) 26.186 22.739 ( -9.698 3.519 5.932) 11.900 ======================= Grid point 579 (265/267) ======================= q-point: (-0.14 -0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -4.717 -0.000 13.366) 14.174 0.975 ( -15.727 -0.000 11.262) 19.344 1.827 ( 4.913 0.000 0.268) 4.920 2.114 ( -7.204 -0.000 -17.745) 19.152 2.358 ( -2.793 -0.000 -6.124) 6.731 2.518 ( -40.298 -0.000 23.898) 46.851 2.718 ( -3.323 -0.000 -0.215) 3.330 3.673 ( 10.201 0.000 -14.958) 18.105 3.728 ( 4.880 0.000 0.165) 4.883 4.207 ( -2.171 -0.000 0.515) 2.231 4.271 ( -4.337 -0.000 4.248) 6.071 5.126 ( -0.315 -0.000 0.265) 0.412 5.161 ( 2.926 0.000 -9.630) 10.064 5.630 ( 15.555 0.000 6.629) 16.909 5.811 ( 4.835 0.000 5.459) 7.292 5.918 ( -5.101 -0.000 1.276) 5.258 6.464 ( 2.930 0.000 3.243) 4.370 6.729 ( -3.061 -0.000 -0.060) 3.061 6.752 ( -3.505 -0.000 4.102) 5.395 8.823 ( -5.126 -0.000 -1.737) 5.412 9.006 ( -1.612 -0.000 -0.419) 1.666 9.444 ( -5.708 -0.000 -1.054) 5.804 9.773 ( 4.862 0.000 -0.064) 4.863 11.216 ( -14.064 -0.000 -11.572) 18.213 11.642 ( 13.787 0.000 0.184) 13.789 11.844 ( -11.007 -0.000 -10.445) 15.174 13.514 ( 4.321 0.000 -0.982) 4.432 13.818 ( -0.521 -0.000 0.146) 0.542 13.894 ( -9.507 -0.000 -0.353) 9.514 16.555 ( 20.252 0.000 16.294) 25.994 16.582 ( -0.064 -0.000 -0.271) 0.278 17.429 ( -0.012 -0.000 0.167) 0.167 18.056 ( -0.816 -0.000 -25.877) 25.890 20.977 ( -58.250 -0.000 -40.233) 70.794 21.775 ( 33.336 0.000 6.659) 33.995 22.856 ( 1.129 0.000 17.076) 17.113 ======================= Grid point 580 (266/267) ======================= q-point: (-0.07 -0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 0.483 -4.669 14.730) 15.460 1.293 ( -8.018 -33.690 8.988) 35.778 2.048 ( -6.291 -1.580 -11.343) 13.066 2.111 ( -21.140 -1.347 -1.816) 21.260 2.587 ( -11.720 -27.013 11.093) 31.467 2.650 ( 3.432 -52.458 -1.293) 52.586 3.241 ( -1.581 -31.585 -6.301) 32.246 3.733 ( 5.815 -12.350 -3.406) 14.069 3.931 ( 5.301 -15.348 -10.752) 19.474 4.169 ( -1.748 1.843 3.427) 4.266 4.324 ( -0.594 -5.055 4.671) 6.908 5.134 ( -5.262 -2.174 -9.224) 10.840 5.176 ( 0.011 -3.812 -5.069) 6.343 5.739 ( 12.818 6.090 0.190) 14.193 5.838 ( 4.462 0.081 5.934) 7.424 5.955 ( 3.400 -7.030 8.551) 11.580 6.147 ( -10.094 13.190 5.083) 17.370 6.601 ( 0.287 -0.978 -0.630) 1.198 7.350 ( 15.784 -22.479 2.735) 27.603 8.746 ( -0.790 0.558 -1.908) 2.139 8.967 ( -1.413 2.625 0.206) 2.989 9.379 ( -3.604 -3.539 -1.005) 5.150 10.034 ( -7.083 -13.130 1.310) 14.976 11.409 ( 11.086 -18.111 -10.640) 23.751 11.685 ( 8.345 4.030 0.427) 9.277 12.001 ( -14.522 -42.345 -22.298) 50.012 13.491 ( 6.365 4.414 -0.018) 7.745 13.729 ( -0.053 5.696 -0.383) 5.709 13.828 ( -7.770 1.789 -0.083) 7.974 16.609 ( 2.377 -4.151 0.481) 4.807 16.915 ( 2.315 -21.192 12.857) 24.895 17.392 ( 1.004 3.135 1.750) 3.728 18.034 ( 11.076 0.029 -23.521) 25.999 20.373 ( -73.514 0.393 -37.125) 82.357 21.946 ( 35.721 10.680 12.232) 39.239 22.824 ( 0.193 9.447 15.533) 18.182 ======================= Grid point 594 (267/267) ======================= q-point: (-0.07 -0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -8.944 -0.000 12.902) 15.699 0.978 ( 0.696 0.000 24.330) 24.340 1.882 ( 2.499 0.000 -0.605) 2.571 1.968 ( 0.020 0.000 -21.287) 21.287 2.071 ( -32.390 -0.000 27.427) 42.442 2.299 ( -1.476 -0.000 -5.564) 5.756 2.675 ( -2.340 -0.000 0.128) 2.343 3.686 ( 2.833 0.000 -21.036) 21.226 3.788 ( 3.030 0.000 -0.014) 3.030 4.181 ( -1.488 -0.000 0.453) 1.555 4.331 ( 7.245 0.000 11.432) 13.534 5.062 ( -7.307 -0.000 -13.212) 15.098 5.124 ( -0.195 -0.000 0.264) 0.328 5.827 ( 2.707 0.000 2.791) 3.888 5.925 ( 9.846 0.000 3.433) 10.427 5.955 ( 6.262 0.000 8.616) 10.652 6.561 ( 6.788 0.000 0.808) 6.836 6.694 ( -1.679 -0.000 -0.044) 1.680 6.794 ( 9.975 0.000 9.835) 14.008 8.763 ( -0.436 -0.000 -1.924) 1.973 8.996 ( -0.113 -0.000 -0.974) 0.981 9.365 ( -3.896 -0.000 -0.715) 3.961 9.829 ( 2.642 0.000 -0.060) 2.642 10.551 ( -61.691 -0.000 -22.710) 65.738 11.767 ( 4.700 0.000 0.994) 4.804 11.804 ( 3.781 0.000 -1.054) 3.925 13.552 ( 0.838 0.000 -0.049) 0.839 13.794 ( -3.290 -0.000 -0.317) 3.305 13.813 ( -0.275 -0.000 0.124) 0.302 16.580 ( -0.049 -0.000 -0.213) 0.219 16.693 ( -8.128 -0.000 11.169) 13.813 17.430 ( -0.011 -0.000 0.129) 0.129 18.121 ( 25.046 0.000 -18.785) 31.307 19.693 ( -83.265 -0.000 -26.835) 87.483 22.279 ( 25.261 0.000 2.509) 25.386 23.084 ( 17.287 0.000 16.126) 23.641 =================== 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 3/35280 10.0 305.022 142.180 158.069 0.000 24.818 0.000 3/35280 20.0 89.060 69.107 42.436 0.000 -2.849 0.000 3/35280 30.0 43.417 41.381 19.598 -0.000 -3.278 0.000 3/35280 40.0 25.817 28.101 11.673 -0.000 -2.260 0.000 3/35280 50.0 17.524 21.049 8.043 0.000 -1.591 0.000 3/35280 60.0 13.033 16.792 6.063 0.000 -1.189 0.000 3/35280 70.0 10.324 13.964 4.845 0.000 -0.934 0.000 3/35280 80.0 8.547 11.954 4.028 0.000 -0.762 0.000 3/35280 90.0 7.304 10.454 3.445 0.000 -0.640 0.000 3/35280 100.0 6.390 9.294 3.009 0.000 -0.550 0.000 3/35280 110.0 5.691 8.371 2.673 0.000 -0.480 0.000 3/35280 120.0 5.139 7.620 2.406 0.000 -0.426 0.000 3/35280 130.0 4.694 6.997 2.189 0.000 -0.381 0.000 3/35280 140.0 4.326 6.473 2.010 0.000 -0.345 0.000 3/35280 150.0 4.018 6.024 1.859 0.000 -0.314 0.000 3/35280 160.0 3.755 5.637 1.732 0.000 -0.288 0.000 3/35280 170.0 3.529 5.298 1.622 0.000 -0.265 0.000 3/35280 180.0 3.331 5.000 1.527 0.000 -0.245 0.000 3/35280 190.0 3.157 4.735 1.444 0.000 -0.228 0.000 3/35280 200.0 3.002 4.498 1.370 0.000 -0.212 0.000 3/35280 210.0 2.863 4.284 1.305 0.000 -0.198 0.000 3/35280 220.0 2.738 4.090 1.246 0.000 -0.186 0.000 3/35280 230.0 2.625 3.914 1.192 0.000 -0.175 0.000 3/35280 240.0 2.521 3.753 1.144 0.000 -0.165 0.000 3/35280 250.0 2.426 3.605 1.100 0.000 -0.155 0.000 3/35280 260.0 2.339 3.469 1.060 0.000 -0.147 0.000 3/35280 270.0 2.258 3.343 1.022 0.000 -0.139 0.000 3/35280 280.0 2.183 3.226 0.988 0.000 -0.132 0.000 3/35280 290.0 2.113 3.117 0.956 0.000 -0.126 0.000 3/35280 300.0 2.047 3.015 0.926 0.000 -0.120 0.000 3/35280 310.0 1.986 2.920 0.898 0.000 -0.114 0.000 3/35280 320.0 1.928 2.830 0.872 0.000 -0.109 0.000 3/35280 330.0 1.874 2.747 0.847 0.000 -0.104 0.000 3/35280 340.0 1.823 2.668 0.824 0.000 -0.100 0.000 3/35280 350.0 1.775 2.593 0.802 0.000 -0.096 0.000 3/35280 360.0 1.729 2.523 0.782 0.000 -0.092 0.000 3/35280 370.0 1.686 2.456 0.762 0.000 -0.089 0.000 3/35280 380.0 1.644 2.393 0.743 0.000 -0.085 0.000 3/35280 390.0 1.605 2.333 0.726 0.000 -0.082 0.000 3/35280 400.0 1.568 2.276 0.709 0.000 -0.079 0.000 3/35280 410.0 1.532 2.221 0.693 0.000 -0.077 0.000 3/35280 420.0 1.498 2.170 0.677 0.000 -0.074 0.000 3/35280 430.0 1.465 2.120 0.663 0.000 -0.072 0.000 3/35280 440.0 1.434 2.073 0.649 0.000 -0.069 0.000 3/35280 450.0 1.404 2.028 0.635 0.000 -0.067 0.000 3/35280 460.0 1.375 1.985 0.622 0.000 -0.065 0.000 3/35280 470.0 1.348 1.943 0.610 0.000 -0.063 0.000 3/35280 480.0 1.321 1.904 0.598 0.000 -0.062 0.000 3/35280 490.0 1.296 1.865 0.586 0.000 -0.060 0.000 3/35280 500.0 1.271 1.829 0.575 0.000 -0.058 0.000 3/35280 510.0 1.248 1.794 0.565 0.000 -0.057 0.000 3/35280 520.0 1.225 1.760 0.555 0.000 -0.055 0.000 3/35280 530.0 1.203 1.727 0.545 0.000 -0.054 0.000 3/35280 540.0 1.182 1.696 0.535 0.000 -0.053 0.000 3/35280 550.0 1.161 1.665 0.526 0.000 -0.051 0.000 3/35280 560.0 1.142 1.636 0.517 0.000 -0.050 0.000 3/35280 570.0 1.123 1.608 0.509 0.000 -0.049 0.000 3/35280 580.0 1.104 1.581 0.500 0.000 -0.048 0.000 3/35280 590.0 1.086 1.554 0.492 0.000 -0.047 0.000 3/35280 600.0 1.069 1.529 0.484 0.000 -0.046 0.000 3/35280 610.0 1.052 1.504 0.477 0.000 -0.045 0.000 3/35280 620.0 1.036 1.480 0.469 0.000 -0.044 0.000 3/35280 630.0 1.020 1.457 0.462 0.000 -0.043 0.000 3/35280 640.0 1.005 1.435 0.455 0.000 -0.042 0.000 3/35280 650.0 0.990 1.413 0.449 0.000 -0.041 0.000 3/35280 660.0 0.975 1.392 0.442 0.000 -0.041 0.000 3/35280 670.0 0.961 1.371 0.436 0.000 -0.040 0.000 3/35280 680.0 0.948 1.351 0.430 0.000 -0.039 0.000 3/35280 690.0 0.935 1.332 0.424 0.000 -0.038 0.000 3/35280 700.0 0.922 1.313 0.418 0.000 -0.038 0.000 3/35280 710.0 0.909 1.295 0.412 0.000 -0.037 0.000 3/35280 720.0 0.897 1.277 0.407 0.000 -0.036 0.000 3/35280 730.0 0.885 1.260 0.402 0.000 -0.036 0.000 3/35280 740.0 0.873 1.243 0.396 0.000 -0.035 0.000 3/35280 750.0 0.862 1.227 0.391 0.000 -0.035 0.000 3/35280 760.0 0.851 1.211 0.386 0.000 -0.034 0.000 3/35280 770.0 0.840 1.195 0.381 0.000 -0.034 0.000 3/35280 780.0 0.830 1.180 0.377 0.000 -0.033 0.000 3/35280 790.0 0.820 1.165 0.372 0.000 -0.033 0.000 3/35280 800.0 0.810 1.151 0.368 0.000 -0.032 0.000 3/35280 810.0 0.800 1.137 0.363 0.000 -0.032 0.000 3/35280 820.0 0.791 1.123 0.359 0.000 -0.031 0.000 3/35280 830.0 0.781 1.110 0.355 0.000 -0.031 0.000 3/35280 840.0 0.772 1.097 0.351 0.000 -0.030 0.000 3/35280 850.0 0.763 1.084 0.347 0.000 -0.030 0.000 3/35280 860.0 0.755 1.071 0.343 0.000 -0.029 0.000 3/35280 870.0 0.746 1.059 0.339 0.000 -0.029 0.000 3/35280 880.0 0.738 1.047 0.335 0.000 -0.029 0.000 3/35280 890.0 0.730 1.036 0.332 0.000 -0.028 0.000 3/35280 900.0 0.722 1.024 0.328 0.000 -0.028 0.000 3/35280 910.0 0.714 1.013 0.324 0.000 -0.027 0.000 3/35280 920.0 0.707 1.002 0.321 0.000 -0.027 0.000 3/35280 930.0 0.699 0.991 0.318 0.000 -0.027 0.000 3/35280 940.0 0.692 0.981 0.314 0.000 -0.026 0.000 3/35280 950.0 0.685 0.971 0.311 0.000 -0.026 0.000 3/35280 960.0 0.678 0.961 0.308 0.000 -0.026 0.000 3/35280 970.0 0.671 0.951 0.305 0.000 -0.026 0.000 3/35280 980.0 0.664 0.941 0.302 0.000 -0.025 0.000 3/35280 990.0 0.658 0.932 0.299 0.000 -0.025 0.000 3/35280 1000.0 0.651 0.923 0.296 0.000 -0.025 0.000 3/35280 Thermal conductivity related properties were written into "kappa-m14145.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:58:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|