----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:14:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.339703761015508 0.000000000000000 0.000000000000000 b 0.000000000000000 4.028202790000000 0.000000000000000 c -3.840922173706318 0.000000000000000 11.005203597671905 Atomic positions (fractional): *1 Se 0.80439510474390 0.75000000000000 0.74976102028465 78.960 2 Se 0.19560489525610 0.25000000000000 0.25023897971535 78.960 *3 Se 0.91556524539755 0.75000000000000 0.09656639325925 78.960 4 Se 0.08443475460245 0.25000000000000 0.90343360674075 78.960 *5 Se 0.11600166643696 0.75000000000000 0.46605040838724 78.960 6 Se 0.88399833356304 0.25000000000000 0.53394959161276 78.960 *7 Se 0.48297793537253 0.75000000000000 0.61594181114372 78.960 8 Se 0.51702206462747 0.25000000000000 0.38405818885628 78.960 *9 Se 0.60683580292926 0.25000000000000 0.94078934995865 78.960 10 Se 0.39316419707074 0.75000000000000 0.05921065004135 78.960 *11 Se 0.25816330078561 0.25000000000000 0.72490912185875 78.960 12 Se 0.74183669921439 0.75000000000000 0.27509087814125 78.960 *13 Sm 0.04696301972599 0.75000000000000 0.69583510752775 150.360 14 Sm 0.95303698027401 0.25000000000000 0.30416489247225 150.360 *15 Er 0.15841688615578 0.75000000000000 0.08412211952672 167.259 16 Er 0.84158311384422 0.25000000000000 0.91587788047328 167.259 *17 Er 0.68137056897878 0.75000000000000 0.50097021285605 167.259 18 Er 0.31862943102122 0.25000000000000 0.49902978714396 167.259 *19 Er 0.43651795246469 0.75000000000000 0.83317174717863 167.259 20 Er 0.56348204753531 0.25000000000000 0.16682825282137 167.259 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.339703761015508 0.000000000000000 0.000000000000000 b 0.000000000000000 4.028202790000000 0.000000000000000 c -3.840922173706318 0.000000000000000 11.005203597671905 Atomic positions (fractional): *1 Se 0.80439510474390 0.75000000000000 0.74976102028465 78.960 > 1 2 Se 0.19560489525610 0.25000000000000 0.25023897971535 78.960 > 2 *3 Se 0.91556524539755 0.75000000000000 0.09656639325925 78.960 > 3 4 Se 0.08443475460245 0.25000000000000 0.90343360674075 78.960 > 4 *5 Se 0.11600166643696 0.75000000000000 0.46605040838724 78.960 > 5 6 Se 0.88399833356304 0.25000000000000 0.53394959161276 78.960 > 6 *7 Se 0.48297793537253 0.75000000000000 0.61594181114372 78.960 > 7 8 Se 0.51702206462747 0.25000000000000 0.38405818885628 78.960 > 8 *9 Se 0.60683580292926 0.25000000000000 0.94078934995865 78.960 > 9 10 Se 0.39316419707074 0.75000000000000 0.05921065004135 78.960 > 10 *11 Se 0.25816330078561 0.25000000000000 0.72490912185875 78.960 > 11 12 Se 0.74183669921439 0.75000000000000 0.27509087814125 78.960 > 12 *13 Sm 0.04696301972599 0.75000000000000 0.69583510752775 150.360 > 13 14 Sm 0.95303698027401 0.25000000000000 0.30416489247225 150.360 > 14 *15 Er 0.15841688615578 0.75000000000000 0.08412211952672 167.259 > 15 16 Er 0.84158311384422 0.25000000000000 0.91587788047328 167.259 > 16 *17 Er 0.68137056897878 0.75000000000000 0.50097021285605 167.259 > 17 18 Er 0.31862943102122 0.25000000000000 0.49902978714396 167.259 > 18 *19 Er 0.43651795246469 0.75000000000000 0.83317174717863 167.259 > 19 20 Er 0.56348204753531 0.25000000000000 0.16682825282137 167.259 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 22.679407522031017 0.000000000000000 0.000000000000000 b 0.000000000000000 12.084608370000000 0.000000000000000 c -3.840922173706318 0.000000000000000 11.005203597671905 Atomic positions (fractional): *1 Se 0.40219755237195 0.25000000000000 0.74976102028465 78.960 > 1 2 Se 0.90219755237195 0.25000000000000 0.74976102028465 78.960 > 1 3 Se 0.40219755237195 0.58333333333333 0.74976102028465 78.960 > 1 4 Se 0.90219755237195 0.58333333333333 0.74976102028465 78.960 > 1 5 Se 0.40219755237195 0.91666666666667 0.74976102028465 78.960 > 1 6 Se 0.90219755237195 0.91666666666667 0.74976102028465 78.960 > 1 7 Se 0.09780244762805 0.08333333333333 0.25023897971535 78.960 > 2 8 Se 0.59780244762805 0.08333333333333 0.25023897971535 78.960 > 2 9 Se 0.09780244762805 0.41666666666667 0.25023897971535 78.960 > 2 10 Se 0.59780244762805 0.41666666666667 0.25023897971535 78.960 > 2 11 Se 0.09780244762805 0.75000000000000 0.25023897971535 78.960 > 2 12 Se 0.59780244762805 0.75000000000000 0.25023897971535 78.960 > 2 *13 Se 0.45778262269878 0.25000000000000 0.09656639325925 78.960 > 3 14 Se 0.95778262269878 0.25000000000000 0.09656639325925 78.960 > 3 15 Se 0.45778262269878 0.58333333333333 0.09656639325925 78.960 > 3 16 Se 0.95778262269878 0.58333333333333 0.09656639325925 78.960 > 3 17 Se 0.45778262269878 0.91666666666667 0.09656639325925 78.960 > 3 18 Se 0.95778262269878 0.91666666666667 0.09656639325925 78.960 > 3 19 Se 0.04221737730122 0.08333333333333 0.90343360674075 78.960 > 4 20 Se 0.54221737730122 0.08333333333333 0.90343360674075 78.960 > 4 21 Se 0.04221737730122 0.41666666666667 0.90343360674075 78.960 > 4 22 Se 0.54221737730122 0.41666666666667 0.90343360674075 78.960 > 4 23 Se 0.04221737730122 0.75000000000000 0.90343360674075 78.960 > 4 24 Se 0.54221737730122 0.75000000000000 0.90343360674075 78.960 > 4 *25 Se 0.05800083321848 0.25000000000000 0.46605040838724 78.960 > 5 26 Se 0.55800083321848 0.25000000000000 0.46605040838724 78.960 > 5 27 Se 0.05800083321848 0.58333333333333 0.46605040838724 78.960 > 5 28 Se 0.55800083321848 0.58333333333333 0.46605040838724 78.960 > 5 29 Se 0.05800083321848 0.91666666666667 0.46605040838724 78.960 > 5 30 Se 0.55800083321848 0.91666666666667 0.46605040838724 78.960 > 5 31 Se 0.44199916678152 0.08333333333333 0.53394959161276 78.960 > 6 32 Se 0.94199916678152 0.08333333333333 0.53394959161276 78.960 > 6 33 Se 0.44199916678152 0.41666666666667 0.53394959161276 78.960 > 6 34 Se 0.94199916678152 0.41666666666667 0.53394959161276 78.960 > 6 35 Se 0.44199916678152 0.75000000000000 0.53394959161276 78.960 > 6 36 Se 0.94199916678152 0.75000000000000 0.53394959161276 78.960 > 6 *37 Se 0.24148896768626 0.25000000000000 0.61594181114372 78.960 > 7 38 Se 0.74148896768626 0.25000000000000 0.61594181114372 78.960 > 7 39 Se 0.24148896768626 0.58333333333333 0.61594181114372 78.960 > 7 40 Se 0.74148896768626 0.58333333333333 0.61594181114372 78.960 > 7 41 Se 0.24148896768626 0.91666666666667 0.61594181114372 78.960 > 7 42 Se 0.74148896768626 0.91666666666667 0.61594181114372 78.960 > 7 43 Se 0.25851103231374 0.08333333333333 0.38405818885628 78.960 > 8 44 Se 0.75851103231374 0.08333333333333 0.38405818885628 78.960 > 8 45 Se 0.25851103231374 0.41666666666667 0.38405818885628 78.960 > 8 46 Se 0.75851103231374 0.41666666666667 0.38405818885628 78.960 > 8 47 Se 0.25851103231374 0.75000000000000 0.38405818885628 78.960 > 8 48 Se 0.75851103231374 0.75000000000000 0.38405818885628 78.960 > 8 *49 Se 0.30341790146463 0.08333333333333 0.94078934995865 78.960 > 9 50 Se 0.80341790146463 0.08333333333333 0.94078934995865 78.960 > 9 51 Se 0.30341790146463 0.41666666666667 0.94078934995865 78.960 > 9 52 Se 0.80341790146463 0.41666666666667 0.94078934995865 78.960 > 9 53 Se 0.30341790146463 0.75000000000000 0.94078934995865 78.960 > 9 54 Se 0.80341790146463 0.75000000000000 0.94078934995865 78.960 > 9 55 Se 0.19658209853537 0.25000000000000 0.05921065004135 78.960 > 10 56 Se 0.69658209853537 0.25000000000000 0.05921065004135 78.960 > 10 57 Se 0.19658209853537 0.58333333333333 0.05921065004135 78.960 > 10 58 Se 0.69658209853537 0.58333333333333 0.05921065004135 78.960 > 10 59 Se 0.19658209853537 0.91666666666667 0.05921065004135 78.960 > 10 60 Se 0.69658209853537 0.91666666666667 0.05921065004135 78.960 > 10 *61 Se 0.12908165039281 0.08333333333333 0.72490912185875 78.960 > 11 62 Se 0.62908165039280 0.08333333333333 0.72490912185875 78.960 > 11 63 Se 0.12908165039281 0.41666666666667 0.72490912185875 78.960 > 11 64 Se 0.62908165039280 0.41666666666667 0.72490912185875 78.960 > 11 65 Se 0.12908165039281 0.75000000000000 0.72490912185875 78.960 > 11 66 Se 0.62908165039280 0.75000000000000 0.72490912185875 78.960 > 11 67 Se 0.37091834960719 0.25000000000000 0.27509087814125 78.960 > 12 68 Se 0.87091834960720 0.25000000000000 0.27509087814125 78.960 > 12 69 Se 0.37091834960719 0.58333333333333 0.27509087814125 78.960 > 12 70 Se 0.87091834960720 0.58333333333333 0.27509087814125 78.960 > 12 71 Se 0.37091834960719 0.91666666666667 0.27509087814125 78.960 > 12 72 Se 0.87091834960720 0.91666666666667 0.27509087814125 78.960 > 12 *73 Sm 0.02348150986299 0.25000000000000 0.69583510752775 150.360 > 13 74 Sm 0.52348150986299 0.25000000000000 0.69583510752775 150.360 > 13 75 Sm 0.02348150986299 0.58333333333333 0.69583510752775 150.360 > 13 76 Sm 0.52348150986299 0.58333333333333 0.69583510752775 150.360 > 13 77 Sm 0.02348150986299 0.91666666666667 0.69583510752775 150.360 > 13 78 Sm 0.52348150986299 0.91666666666667 0.69583510752775 150.360 > 13 79 Sm 0.47651849013701 0.08333333333333 0.30416489247225 150.360 > 14 80 Sm 0.97651849013701 0.08333333333333 0.30416489247225 150.360 > 14 81 Sm 0.47651849013701 0.41666666666667 0.30416489247225 150.360 > 14 82 Sm 0.97651849013701 0.41666666666667 0.30416489247225 150.360 > 14 83 Sm 0.47651849013701 0.75000000000000 0.30416489247225 150.360 > 14 84 Sm 0.97651849013701 0.75000000000000 0.30416489247225 150.360 > 14 *85 Er 0.07920844307789 0.25000000000000 0.08412211952672 167.259 > 15 86 Er 0.57920844307789 0.25000000000000 0.08412211952672 167.259 > 15 87 Er 0.07920844307789 0.58333333333333 0.08412211952672 167.259 > 15 88 Er 0.57920844307789 0.58333333333333 0.08412211952672 167.259 > 15 89 Er 0.07920844307789 0.91666666666667 0.08412211952672 167.259 > 15 90 Er 0.57920844307789 0.91666666666667 0.08412211952672 167.259 > 15 91 Er 0.42079155692211 0.08333333333333 0.91587788047328 167.259 > 16 92 Er 0.92079155692211 0.08333333333333 0.91587788047328 167.259 > 16 93 Er 0.42079155692211 0.41666666666667 0.91587788047328 167.259 > 16 94 Er 0.92079155692211 0.41666666666667 0.91587788047328 167.259 > 16 95 Er 0.42079155692211 0.75000000000000 0.91587788047328 167.259 > 16 96 Er 0.92079155692211 0.75000000000000 0.91587788047328 167.259 > 16 *97 Er 0.34068528448939 0.25000000000000 0.50097021285605 167.259 > 17 98 Er 0.84068528448939 0.25000000000000 0.50097021285605 167.259 > 17 99 Er 0.34068528448939 0.58333333333333 0.50097021285605 167.259 > 17 100 Er 0.84068528448939 0.58333333333333 0.50097021285605 167.259 > 17 101 Er 0.34068528448939 0.91666666666667 0.50097021285605 167.259 > 17 102 Er 0.84068528448939 0.91666666666667 0.50097021285605 167.259 > 17 103 Er 0.15931471551061 0.08333333333333 0.49902978714396 167.259 > 18 104 Er 0.65931471551061 0.08333333333333 0.49902978714396 167.259 > 18 105 Er 0.15931471551061 0.41666666666667 0.49902978714396 167.259 > 18 106 Er 0.65931471551061 0.41666666666667 0.49902978714396 167.259 > 18 107 Er 0.15931471551061 0.75000000000000 0.49902978714396 167.259 > 18 108 Er 0.65931471551061 0.75000000000000 0.49902978714396 167.259 > 18 *109 Er 0.21825897623234 0.25000000000000 0.83317174717863 167.259 > 19 110 Er 0.71825897623234 0.25000000000000 0.83317174717863 167.259 > 19 111 Er 0.21825897623234 0.58333333333333 0.83317174717863 167.259 > 19 112 Er 0.71825897623234 0.58333333333333 0.83317174717863 167.259 > 19 113 Er 0.21825897623234 0.91666666666667 0.83317174717863 167.259 > 19 114 Er 0.71825897623234 0.91666666666667 0.83317174717863 167.259 > 19 115 Er 0.28174102376766 0.08333333333333 0.16682825282137 167.259 > 20 116 Er 0.78174102376766 0.08333333333333 0.16682825282137 167.259 > 20 117 Er 0.28174102376766 0.41666666666667 0.16682825282137 167.259 > 20 118 Er 0.78174102376766 0.41666666666667 0.16682825282137 167.259 > 20 119 Er 0.28174102376766 0.75000000000000 0.16682825282137 167.259 > 20 120 Er 0.78174102376766 0.75000000000000 0.16682825282137 167.259 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.6297194 0.0000000 -0.1114809 0.0000000 9.2522033 0.0000000 -0.1114944 0.0000000 9.0163401 -------------------------- Born effective charges -------------------------- 1 Se -1.7227000 0.0000000 0.2155913 0.0000000 -2.6793458 0.0000000 0.2810347 0.0000000 -3.4156191 2 Se -1.7227000 0.0000000 0.2155913 0.0000000 -2.6793458 0.0000000 0.2810347 0.0000000 -3.4156191 3 Se -1.7721248 0.0000000 0.2228199 0.0000000 -3.1725980 0.0000000 -0.0934598 0.0000000 -3.0519980 4 Se -1.7721248 0.0000000 0.2228199 0.0000000 -3.1725980 0.0000000 -0.0934598 0.0000000 -3.0519980 5 Se -2.1983892 0.0000000 -0.3934939 0.0000000 -3.0551951 0.0000000 -0.4485572 0.0000000 -2.2125480 6 Se -2.1983892 0.0000000 -0.3934939 0.0000000 -3.0551951 0.0000000 -0.4485572 0.0000000 -2.2125480 7 Se -2.6056673 0.0000000 0.5065398 0.0000000 -2.1974953 0.0000000 0.2973643 0.0000000 -2.6373718 8 Se -2.6056673 0.0000000 0.5065398 0.0000000 -2.1974953 0.0000000 0.2973643 0.0000000 -2.6373718 9 Se -3.3842748 0.0000000 -0.0592854 0.0000000 -2.4879429 0.0000000 -0.0706667 0.0000000 -2.5542213 10 Se -3.3842748 0.0000000 -0.0592854 0.0000000 -2.4879429 0.0000000 -0.0706667 0.0000000 -2.5542213 11 Se -2.7597839 0.0000000 -0.5258627 0.0000000 -3.2243789 0.0000000 -0.2103071 0.0000000 -2.0234543 12 Se -2.7597839 0.0000000 -0.5258627 0.0000000 -3.2243789 0.0000000 -0.2103071 0.0000000 -2.0234543 13 Sm 3.5184775 0.0000000 -0.1502878 0.0000000 4.1041139 0.0000000 -0.3280037 0.0000000 3.7294110 14 Sm 3.5184775 0.0000000 -0.1502878 0.0000000 4.1041139 0.0000000 -0.3280037 0.0000000 3.7294110 15 Er 3.9534497 0.0000000 -0.3303832 0.0000000 4.6412973 0.0000000 -0.0899669 0.0000000 3.5961432 16 Er 3.9534497 0.0000000 -0.3303832 0.0000000 4.6412973 0.0000000 -0.0899669 0.0000000 3.5961432 17 Er 3.8986225 0.0000000 0.0949942 0.0000000 3.6224324 0.0000000 0.5345131 0.0000000 3.8130899 18 Er 3.8986225 0.0000000 0.0949942 0.0000000 3.6224324 0.0000000 0.5345131 0.0000000 3.8130899 19 Er 3.0723902 0.0000000 0.4193677 0.0000000 4.4491125 0.0000000 0.1280492 0.0000000 4.7565685 20 Er 3.0723902 0.0000000 0.4193677 0.0000000 4.4491125 0.0000000 0.1280492 0.0000000 4.7565685 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2920 Number of blocks in projector: 2920 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 283 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 400 Use standard eigh solver. Tree of FC basis block matrices: - (2920, 2871), data: False |-- (400, 400), data: True |-- (400, 400), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 781), data: False |-- (800, 17), data: (800, 36) @ (36, 17) |-- (300, 283), data: True |-- (500, 481), data: False |-- (500, 19), data: (500, 38) @ (38, 19) |-- (250, 231), data: True |-- (250, 231), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 640 - Time: 0.762 Solver_block: 200 / 640 - Time: 0.674 Solver_block: 300 / 640 - Time: 0.669 Solver_block: 400 / 640 - Time: 0.666 Solver_block: 500 / 640 - Time: 0.665 Solver_block: 600 / 640 - Time: 0.666 Solver_block: 640 / 640 - Time: 0.364 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.613 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2920 Number of blocks in projector: 2920 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 283 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 400 Use standard eigh solver. Tree of FC basis block matrices: - (2920, 2871), data: False |-- (400, 400), data: True |-- (400, 400), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 781), data: False |-- (800, 17), data: (800, 36) @ (36, 17) |-- (300, 283), data: True |-- (500, 481), data: False |-- (500, 19), data: (500, 38) @ (38, 19) |-- (250, 231), data: True |-- (250, 231), data: True Max drift after symmetrization by symfc projector: -0.00000000 (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 00:14:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:14:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.339703761015508 0.000000000000000 0.000000000000000 b 0.000000000000000 4.028202790000000 0.000000000000000 c -3.840922173706318 0.000000000000000 11.005203597671905 Atomic positions (fractional): 1 Se 0.80439510474390 0.75000000000000 0.74976102028465 78.960 2 Se 0.19560489525610 0.25000000000000 0.25023897971535 78.960 3 Se 0.91556524539755 0.75000000000000 0.09656639325925 78.960 4 Se 0.08443475460245 0.25000000000000 0.90343360674075 78.960 5 Se 0.11600166643696 0.75000000000000 0.46605040838724 78.960 6 Se 0.88399833356304 0.25000000000000 0.53394959161276 78.960 7 Se 0.48297793537253 0.75000000000000 0.61594181114372 78.960 8 Se 0.51702206462747 0.25000000000000 0.38405818885628 78.960 9 Se 0.60683580292926 0.25000000000000 0.94078934995865 78.960 10 Se 0.39316419707074 0.75000000000000 0.05921065004135 78.960 11 Se 0.25816330078561 0.25000000000000 0.72490912185875 78.960 12 Se 0.74183669921439 0.75000000000000 0.27509087814125 78.960 13 Sm 0.04696301972599 0.75000000000000 0.69583510752775 150.360 14 Sm 0.95303698027401 0.25000000000000 0.30416489247225 150.360 15 Er 0.15841688615578 0.75000000000000 0.08412211952672 167.259 16 Er 0.84158311384422 0.25000000000000 0.91587788047328 167.259 17 Er 0.68137056897878 0.75000000000000 0.50097021285605 167.259 18 Er 0.31862943102122 0.25000000000000 0.49902978714396 167.259 19 Er 0.43651795246469 0.75000000000000 0.83317174717863 167.259 20 Er 0.56348204753531 0.25000000000000 0.16682825282137 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 22.679407522031017 0.000000000000000 0.000000000000000 b 0.000000000000000 12.084608370000000 0.000000000000000 c -3.840922173706318 0.000000000000000 11.005203597671905 Atomic positions (fractional): 1 Se 0.40219755237195 0.25000000000000 0.74976102028465 78.960 > 1 2 Se 0.90219755237195 0.25000000000000 0.74976102028465 78.960 > 1 3 Se 0.40219755237195 0.58333333333333 0.74976102028465 78.960 > 1 4 Se 0.90219755237195 0.58333333333333 0.74976102028465 78.960 > 1 5 Se 0.40219755237195 0.91666666666667 0.74976102028465 78.960 > 1 6 Se 0.90219755237195 0.91666666666667 0.74976102028465 78.960 > 1 7 Se 0.09780244762805 0.08333333333333 0.25023897971535 78.960 > 7 8 Se 0.59780244762805 0.08333333333333 0.25023897971535 78.960 > 7 9 Se 0.09780244762805 0.41666666666667 0.25023897971535 78.960 > 7 10 Se 0.59780244762805 0.41666666666667 0.25023897971535 78.960 > 7 11 Se 0.09780244762805 0.75000000000000 0.25023897971535 78.960 > 7 12 Se 0.59780244762805 0.75000000000000 0.25023897971535 78.960 > 7 13 Se 0.45778262269878 0.25000000000000 0.09656639325925 78.960 > 13 14 Se 0.95778262269878 0.25000000000000 0.09656639325925 78.960 > 13 15 Se 0.45778262269878 0.58333333333333 0.09656639325925 78.960 > 13 16 Se 0.95778262269878 0.58333333333333 0.09656639325925 78.960 > 13 17 Se 0.45778262269878 0.91666666666667 0.09656639325925 78.960 > 13 18 Se 0.95778262269878 0.91666666666667 0.09656639325925 78.960 > 13 19 Se 0.04221737730122 0.08333333333333 0.90343360674075 78.960 > 19 20 Se 0.54221737730122 0.08333333333333 0.90343360674075 78.960 > 19 21 Se 0.04221737730122 0.41666666666667 0.90343360674075 78.960 > 19 22 Se 0.54221737730122 0.41666666666667 0.90343360674075 78.960 > 19 23 Se 0.04221737730122 0.75000000000000 0.90343360674075 78.960 > 19 24 Se 0.54221737730122 0.75000000000000 0.90343360674075 78.960 > 19 25 Se 0.05800083321848 0.25000000000000 0.46605040838724 78.960 > 25 26 Se 0.55800083321848 0.25000000000000 0.46605040838724 78.960 > 25 27 Se 0.05800083321848 0.58333333333333 0.46605040838724 78.960 > 25 28 Se 0.55800083321848 0.58333333333333 0.46605040838724 78.960 > 25 29 Se 0.05800083321848 0.91666666666667 0.46605040838724 78.960 > 25 30 Se 0.55800083321848 0.91666666666667 0.46605040838724 78.960 > 25 31 Se 0.44199916678152 0.08333333333333 0.53394959161276 78.960 > 31 32 Se 0.94199916678152 0.08333333333333 0.53394959161276 78.960 > 31 33 Se 0.44199916678152 0.41666666666667 0.53394959161276 78.960 > 31 34 Se 0.94199916678152 0.41666666666667 0.53394959161276 78.960 > 31 35 Se 0.44199916678152 0.75000000000000 0.53394959161276 78.960 > 31 36 Se 0.94199916678152 0.75000000000000 0.53394959161276 78.960 > 31 37 Se 0.24148896768626 0.25000000000000 0.61594181114372 78.960 > 37 38 Se 0.74148896768626 0.25000000000000 0.61594181114372 78.960 > 37 39 Se 0.24148896768626 0.58333333333333 0.61594181114372 78.960 > 37 40 Se 0.74148896768626 0.58333333333333 0.61594181114372 78.960 > 37 41 Se 0.24148896768626 0.91666666666667 0.61594181114372 78.960 > 37 42 Se 0.74148896768626 0.91666666666667 0.61594181114372 78.960 > 37 43 Se 0.25851103231374 0.08333333333333 0.38405818885628 78.960 > 43 44 Se 0.75851103231374 0.08333333333333 0.38405818885628 78.960 > 43 45 Se 0.25851103231374 0.41666666666667 0.38405818885628 78.960 > 43 46 Se 0.75851103231374 0.41666666666667 0.38405818885628 78.960 > 43 47 Se 0.25851103231374 0.75000000000000 0.38405818885628 78.960 > 43 48 Se 0.75851103231374 0.75000000000000 0.38405818885628 78.960 > 43 49 Se 0.30341790146463 0.08333333333333 0.94078934995865 78.960 > 49 50 Se 0.80341790146463 0.08333333333333 0.94078934995865 78.960 > 49 51 Se 0.30341790146463 0.41666666666667 0.94078934995865 78.960 > 49 52 Se 0.80341790146463 0.41666666666667 0.94078934995865 78.960 > 49 53 Se 0.30341790146463 0.75000000000000 0.94078934995865 78.960 > 49 54 Se 0.80341790146463 0.75000000000000 0.94078934995865 78.960 > 49 55 Se 0.19658209853537 0.25000000000000 0.05921065004135 78.960 > 55 56 Se 0.69658209853537 0.25000000000000 0.05921065004135 78.960 > 55 57 Se 0.19658209853537 0.58333333333333 0.05921065004135 78.960 > 55 58 Se 0.69658209853537 0.58333333333333 0.05921065004135 78.960 > 55 59 Se 0.19658209853537 0.91666666666667 0.05921065004135 78.960 > 55 60 Se 0.69658209853537 0.91666666666667 0.05921065004135 78.960 > 55 61 Se 0.12908165039281 0.08333333333333 0.72490912185875 78.960 > 61 62 Se 0.62908165039280 0.08333333333333 0.72490912185875 78.960 > 61 63 Se 0.12908165039281 0.41666666666667 0.72490912185875 78.960 > 61 64 Se 0.62908165039280 0.41666666666667 0.72490912185875 78.960 > 61 65 Se 0.12908165039281 0.75000000000000 0.72490912185875 78.960 > 61 66 Se 0.62908165039280 0.75000000000000 0.72490912185875 78.960 > 61 67 Se 0.37091834960719 0.25000000000000 0.27509087814125 78.960 > 67 68 Se 0.87091834960720 0.25000000000000 0.27509087814125 78.960 > 67 69 Se 0.37091834960719 0.58333333333333 0.27509087814125 78.960 > 67 70 Se 0.87091834960720 0.58333333333333 0.27509087814125 78.960 > 67 71 Se 0.37091834960719 0.91666666666667 0.27509087814125 78.960 > 67 72 Se 0.87091834960720 0.91666666666667 0.27509087814125 78.960 > 67 73 Sm 0.02348150986299 0.25000000000000 0.69583510752775 150.360 > 73 74 Sm 0.52348150986299 0.25000000000000 0.69583510752775 150.360 > 73 75 Sm 0.02348150986299 0.58333333333333 0.69583510752775 150.360 > 73 76 Sm 0.52348150986299 0.58333333333333 0.69583510752775 150.360 > 73 77 Sm 0.02348150986299 0.91666666666667 0.69583510752775 150.360 > 73 78 Sm 0.52348150986299 0.91666666666667 0.69583510752775 150.360 > 73 79 Sm 0.47651849013701 0.08333333333333 0.30416489247225 150.360 > 79 80 Sm 0.97651849013701 0.08333333333333 0.30416489247225 150.360 > 79 81 Sm 0.47651849013701 0.41666666666667 0.30416489247225 150.360 > 79 82 Sm 0.97651849013701 0.41666666666667 0.30416489247225 150.360 > 79 83 Sm 0.47651849013701 0.75000000000000 0.30416489247225 150.360 > 79 84 Sm 0.97651849013701 0.75000000000000 0.30416489247225 150.360 > 79 85 Er 0.07920844307789 0.25000000000000 0.08412211952672 167.259 > 85 86 Er 0.57920844307789 0.25000000000000 0.08412211952672 167.259 > 85 87 Er 0.07920844307789 0.58333333333333 0.08412211952672 167.259 > 85 88 Er 0.57920844307789 0.58333333333333 0.08412211952672 167.259 > 85 89 Er 0.07920844307789 0.91666666666667 0.08412211952672 167.259 > 85 90 Er 0.57920844307789 0.91666666666667 0.08412211952672 167.259 > 85 91 Er 0.42079155692211 0.08333333333333 0.91587788047328 167.259 > 91 92 Er 0.92079155692211 0.08333333333333 0.91587788047328 167.259 > 91 93 Er 0.42079155692211 0.41666666666667 0.91587788047328 167.259 > 91 94 Er 0.92079155692211 0.41666666666667 0.91587788047328 167.259 > 91 95 Er 0.42079155692211 0.75000000000000 0.91587788047328 167.259 > 91 96 Er 0.92079155692211 0.75000000000000 0.91587788047328 167.259 > 91 97 Er 0.34068528448939 0.25000000000000 0.50097021285605 167.259 > 97 98 Er 0.84068528448939 0.25000000000000 0.50097021285605 167.259 > 97 99 Er 0.34068528448939 0.58333333333333 0.50097021285605 167.259 > 97 100 Er 0.84068528448939 0.58333333333333 0.50097021285605 167.259 > 97 101 Er 0.34068528448939 0.91666666666667 0.50097021285605 167.259 > 97 102 Er 0.84068528448939 0.91666666666667 0.50097021285605 167.259 > 97 103 Er 0.15931471551061 0.08333333333333 0.49902978714396 167.259 > 103 104 Er 0.65931471551061 0.08333333333333 0.49902978714396 167.259 > 103 105 Er 0.15931471551061 0.41666666666667 0.49902978714396 167.259 > 103 106 Er 0.65931471551061 0.41666666666667 0.49902978714396 167.259 > 103 107 Er 0.15931471551061 0.75000000000000 0.49902978714396 167.259 > 103 108 Er 0.65931471551061 0.75000000000000 0.49902978714396 167.259 > 103 109 Er 0.21825897623234 0.25000000000000 0.83317174717863 167.259 > 109 110 Er 0.71825897623234 0.25000000000000 0.83317174717863 167.259 > 109 111 Er 0.21825897623234 0.58333333333333 0.83317174717863 167.259 > 109 112 Er 0.71825897623234 0.58333333333333 0.83317174717863 167.259 > 109 113 Er 0.21825897623234 0.91666666666667 0.83317174717863 167.259 > 109 114 Er 0.71825897623234 0.91666666666667 0.83317174717863 167.259 > 109 115 Er 0.28174102376766 0.08333333333333 0.16682825282137 167.259 > 115 116 Er 0.78174102376766 0.08333333333333 0.16682825282137 167.259 > 115 117 Er 0.28174102376766 0.41666666666667 0.16682825282137 167.259 > 115 118 Er 0.78174102376766 0.41666666666667 0.16682825282137 167.259 > 115 119 Er 0.28174102376766 0.75000000000000 0.16682825282137 167.259 > 115 120 Er 0.78174102376766 0.75000000000000 0.16682825282137 167.259 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.6297194 0.0000000 -0.1114809 0.0000000 9.2522033 0.0000000 -0.1114944 0.0000000 9.0163401 -------------------------- Born effective charges -------------------------- 1 Se -1.7227000 0.0000000 0.2155913 0.0000000 -2.6793458 0.0000000 0.2810347 0.0000000 -3.4156191 2 Se -1.7227000 0.0000000 0.2155913 0.0000000 -2.6793458 0.0000000 0.2810347 0.0000000 -3.4156191 3 Se -1.7721248 0.0000000 0.2228199 0.0000000 -3.1725980 0.0000000 -0.0934598 0.0000000 -3.0519980 4 Se -1.7721248 0.0000000 0.2228199 0.0000000 -3.1725980 0.0000000 -0.0934598 0.0000000 -3.0519980 5 Se -2.1983892 0.0000000 -0.3934939 0.0000000 -3.0551951 0.0000000 -0.4485572 0.0000000 -2.2125480 6 Se -2.1983892 0.0000000 -0.3934939 0.0000000 -3.0551951 0.0000000 -0.4485572 0.0000000 -2.2125480 7 Se -2.6056673 0.0000000 0.5065398 0.0000000 -2.1974953 0.0000000 0.2973643 0.0000000 -2.6373718 8 Se -2.6056673 0.0000000 0.5065398 0.0000000 -2.1974953 0.0000000 0.2973643 0.0000000 -2.6373718 9 Se -3.3842748 0.0000000 -0.0592854 0.0000000 -2.4879429 0.0000000 -0.0706667 0.0000000 -2.5542213 10 Se -3.3842748 0.0000000 -0.0592854 0.0000000 -2.4879429 0.0000000 -0.0706667 0.0000000 -2.5542213 11 Se -2.7597839 0.0000000 -0.5258627 0.0000000 -3.2243789 0.0000000 -0.2103071 0.0000000 -2.0234543 12 Se -2.7597839 0.0000000 -0.5258627 0.0000000 -3.2243789 0.0000000 -0.2103071 0.0000000 -2.0234543 13 Sm 3.5184775 0.0000000 -0.1502878 0.0000000 4.1041139 0.0000000 -0.3280037 0.0000000 3.7294110 14 Sm 3.5184775 0.0000000 -0.1502878 0.0000000 4.1041139 0.0000000 -0.3280037 0.0000000 3.7294110 15 Er 3.9534497 0.0000000 -0.3303832 0.0000000 4.6412973 0.0000000 -0.0899669 0.0000000 3.5961432 16 Er 3.9534497 0.0000000 -0.3303832 0.0000000 4.6412973 0.0000000 -0.0899669 0.0000000 3.5961432 17 Er 3.8986225 0.0000000 0.0949942 0.0000000 3.6224324 0.0000000 0.5345131 0.0000000 3.8130899 18 Er 3.8986225 0.0000000 0.0949942 0.0000000 3.6224324 0.0000000 0.5345131 0.0000000 3.8130899 19 Er 3.0723902 0.0000000 0.4193677 0.0000000 4.4491125 0.0000000 0.1280492 0.0000000 4.7565685 20 Er 3.0723902 0.0000000 0.4193677 0.0000000 4.4491125 0.0000000 0.1280492 0.0000000 4.7565685 ---------------------------------------------------------------------------- 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 109, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yxy) -0.00000000 (yxy) -0.00000000 (yyx) 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 00:15:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:15:28]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.339703761015508 0.000000000000000 0.000000000000000 b 0.000000000000000 4.028202790000000 0.000000000000000 c -3.840922173706318 0.000000000000000 11.005203597671905 Atomic positions (fractional): 1 Se 0.80439510474390 0.75000000000000 0.74976102028465 78.960 2 Se 0.19560489525610 0.25000000000000 0.25023897971535 78.960 3 Se 0.91556524539755 0.75000000000000 0.09656639325925 78.960 4 Se 0.08443475460245 0.25000000000000 0.90343360674075 78.960 5 Se 0.11600166643696 0.75000000000000 0.46605040838724 78.960 6 Se 0.88399833356304 0.25000000000000 0.53394959161276 78.960 7 Se 0.48297793537253 0.75000000000000 0.61594181114372 78.960 8 Se 0.51702206462747 0.25000000000000 0.38405818885628 78.960 9 Se 0.60683580292926 0.25000000000000 0.94078934995865 78.960 10 Se 0.39316419707074 0.75000000000000 0.05921065004135 78.960 11 Se 0.25816330078561 0.25000000000000 0.72490912185875 78.960 12 Se 0.74183669921439 0.75000000000000 0.27509087814125 78.960 13 Sm 0.04696301972599 0.75000000000000 0.69583510752775 150.360 14 Sm 0.95303698027401 0.25000000000000 0.30416489247225 150.360 15 Er 0.15841688615578 0.75000000000000 0.08412211952672 167.259 16 Er 0.84158311384422 0.25000000000000 0.91587788047328 167.259 17 Er 0.68137056897878 0.75000000000000 0.50097021285605 167.259 18 Er 0.31862943102122 0.25000000000000 0.49902978714396 167.259 19 Er 0.43651795246469 0.75000000000000 0.83317174717863 167.259 20 Er 0.56348204753531 0.25000000000000 0.16682825282137 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 22.679407522031017 0.000000000000000 0.000000000000000 b 0.000000000000000 12.084608370000000 0.000000000000000 c -3.840922173706318 0.000000000000000 11.005203597671905 Atomic positions (fractional): 1 Se 0.40219755237195 0.25000000000000 0.74976102028465 78.960 > 1 2 Se 0.90219755237195 0.25000000000000 0.74976102028465 78.960 > 1 3 Se 0.40219755237195 0.58333333333333 0.74976102028465 78.960 > 1 4 Se 0.90219755237195 0.58333333333333 0.74976102028465 78.960 > 1 5 Se 0.40219755237195 0.91666666666667 0.74976102028465 78.960 > 1 6 Se 0.90219755237195 0.91666666666667 0.74976102028465 78.960 > 1 7 Se 0.09780244762805 0.08333333333333 0.25023897971535 78.960 > 7 8 Se 0.59780244762805 0.08333333333333 0.25023897971535 78.960 > 7 9 Se 0.09780244762805 0.41666666666667 0.25023897971535 78.960 > 7 10 Se 0.59780244762805 0.41666666666667 0.25023897971535 78.960 > 7 11 Se 0.09780244762805 0.75000000000000 0.25023897971535 78.960 > 7 12 Se 0.59780244762805 0.75000000000000 0.25023897971535 78.960 > 7 13 Se 0.45778262269878 0.25000000000000 0.09656639325925 78.960 > 13 14 Se 0.95778262269878 0.25000000000000 0.09656639325925 78.960 > 13 15 Se 0.45778262269878 0.58333333333333 0.09656639325925 78.960 > 13 16 Se 0.95778262269878 0.58333333333333 0.09656639325925 78.960 > 13 17 Se 0.45778262269878 0.91666666666667 0.09656639325925 78.960 > 13 18 Se 0.95778262269878 0.91666666666667 0.09656639325925 78.960 > 13 19 Se 0.04221737730122 0.08333333333333 0.90343360674075 78.960 > 19 20 Se 0.54221737730122 0.08333333333333 0.90343360674075 78.960 > 19 21 Se 0.04221737730122 0.41666666666667 0.90343360674075 78.960 > 19 22 Se 0.54221737730122 0.41666666666667 0.90343360674075 78.960 > 19 23 Se 0.04221737730122 0.75000000000000 0.90343360674075 78.960 > 19 24 Se 0.54221737730122 0.75000000000000 0.90343360674075 78.960 > 19 25 Se 0.05800083321848 0.25000000000000 0.46605040838724 78.960 > 25 26 Se 0.55800083321848 0.25000000000000 0.46605040838724 78.960 > 25 27 Se 0.05800083321848 0.58333333333333 0.46605040838724 78.960 > 25 28 Se 0.55800083321848 0.58333333333333 0.46605040838724 78.960 > 25 29 Se 0.05800083321848 0.91666666666667 0.46605040838724 78.960 > 25 30 Se 0.55800083321848 0.91666666666667 0.46605040838724 78.960 > 25 31 Se 0.44199916678152 0.08333333333333 0.53394959161276 78.960 > 31 32 Se 0.94199916678152 0.08333333333333 0.53394959161276 78.960 > 31 33 Se 0.44199916678152 0.41666666666667 0.53394959161276 78.960 > 31 34 Se 0.94199916678152 0.41666666666667 0.53394959161276 78.960 > 31 35 Se 0.44199916678152 0.75000000000000 0.53394959161276 78.960 > 31 36 Se 0.94199916678152 0.75000000000000 0.53394959161276 78.960 > 31 37 Se 0.24148896768626 0.25000000000000 0.61594181114372 78.960 > 37 38 Se 0.74148896768626 0.25000000000000 0.61594181114372 78.960 > 37 39 Se 0.24148896768626 0.58333333333333 0.61594181114372 78.960 > 37 40 Se 0.74148896768626 0.58333333333333 0.61594181114372 78.960 > 37 41 Se 0.24148896768626 0.91666666666667 0.61594181114372 78.960 > 37 42 Se 0.74148896768626 0.91666666666667 0.61594181114372 78.960 > 37 43 Se 0.25851103231374 0.08333333333333 0.38405818885628 78.960 > 43 44 Se 0.75851103231374 0.08333333333333 0.38405818885628 78.960 > 43 45 Se 0.25851103231374 0.41666666666667 0.38405818885628 78.960 > 43 46 Se 0.75851103231374 0.41666666666667 0.38405818885628 78.960 > 43 47 Se 0.25851103231374 0.75000000000000 0.38405818885628 78.960 > 43 48 Se 0.75851103231374 0.75000000000000 0.38405818885628 78.960 > 43 49 Se 0.30341790146463 0.08333333333333 0.94078934995865 78.960 > 49 50 Se 0.80341790146463 0.08333333333333 0.94078934995865 78.960 > 49 51 Se 0.30341790146463 0.41666666666667 0.94078934995865 78.960 > 49 52 Se 0.80341790146463 0.41666666666667 0.94078934995865 78.960 > 49 53 Se 0.30341790146463 0.75000000000000 0.94078934995865 78.960 > 49 54 Se 0.80341790146463 0.75000000000000 0.94078934995865 78.960 > 49 55 Se 0.19658209853537 0.25000000000000 0.05921065004135 78.960 > 55 56 Se 0.69658209853537 0.25000000000000 0.05921065004135 78.960 > 55 57 Se 0.19658209853537 0.58333333333333 0.05921065004135 78.960 > 55 58 Se 0.69658209853537 0.58333333333333 0.05921065004135 78.960 > 55 59 Se 0.19658209853537 0.91666666666667 0.05921065004135 78.960 > 55 60 Se 0.69658209853537 0.91666666666667 0.05921065004135 78.960 > 55 61 Se 0.12908165039281 0.08333333333333 0.72490912185875 78.960 > 61 62 Se 0.62908165039280 0.08333333333333 0.72490912185875 78.960 > 61 63 Se 0.12908165039281 0.41666666666667 0.72490912185875 78.960 > 61 64 Se 0.62908165039280 0.41666666666667 0.72490912185875 78.960 > 61 65 Se 0.12908165039281 0.75000000000000 0.72490912185875 78.960 > 61 66 Se 0.62908165039280 0.75000000000000 0.72490912185875 78.960 > 61 67 Se 0.37091834960719 0.25000000000000 0.27509087814125 78.960 > 67 68 Se 0.87091834960720 0.25000000000000 0.27509087814125 78.960 > 67 69 Se 0.37091834960719 0.58333333333333 0.27509087814125 78.960 > 67 70 Se 0.87091834960720 0.58333333333333 0.27509087814125 78.960 > 67 71 Se 0.37091834960719 0.91666666666667 0.27509087814125 78.960 > 67 72 Se 0.87091834960720 0.91666666666667 0.27509087814125 78.960 > 67 73 Sm 0.02348150986299 0.25000000000000 0.69583510752775 150.360 > 73 74 Sm 0.52348150986299 0.25000000000000 0.69583510752775 150.360 > 73 75 Sm 0.02348150986299 0.58333333333333 0.69583510752775 150.360 > 73 76 Sm 0.52348150986299 0.58333333333333 0.69583510752775 150.360 > 73 77 Sm 0.02348150986299 0.91666666666667 0.69583510752775 150.360 > 73 78 Sm 0.52348150986299 0.91666666666667 0.69583510752775 150.360 > 73 79 Sm 0.47651849013701 0.08333333333333 0.30416489247225 150.360 > 79 80 Sm 0.97651849013701 0.08333333333333 0.30416489247225 150.360 > 79 81 Sm 0.47651849013701 0.41666666666667 0.30416489247225 150.360 > 79 82 Sm 0.97651849013701 0.41666666666667 0.30416489247225 150.360 > 79 83 Sm 0.47651849013701 0.75000000000000 0.30416489247225 150.360 > 79 84 Sm 0.97651849013701 0.75000000000000 0.30416489247225 150.360 > 79 85 Er 0.07920844307789 0.25000000000000 0.08412211952672 167.259 > 85 86 Er 0.57920844307789 0.25000000000000 0.08412211952672 167.259 > 85 87 Er 0.07920844307789 0.58333333333333 0.08412211952672 167.259 > 85 88 Er 0.57920844307789 0.58333333333333 0.08412211952672 167.259 > 85 89 Er 0.07920844307789 0.91666666666667 0.08412211952672 167.259 > 85 90 Er 0.57920844307789 0.91666666666667 0.08412211952672 167.259 > 85 91 Er 0.42079155692211 0.08333333333333 0.91587788047328 167.259 > 91 92 Er 0.92079155692211 0.08333333333333 0.91587788047328 167.259 > 91 93 Er 0.42079155692211 0.41666666666667 0.91587788047328 167.259 > 91 94 Er 0.92079155692211 0.41666666666667 0.91587788047328 167.259 > 91 95 Er 0.42079155692211 0.75000000000000 0.91587788047328 167.259 > 91 96 Er 0.92079155692211 0.75000000000000 0.91587788047328 167.259 > 91 97 Er 0.34068528448939 0.25000000000000 0.50097021285605 167.259 > 97 98 Er 0.84068528448939 0.25000000000000 0.50097021285605 167.259 > 97 99 Er 0.34068528448939 0.58333333333333 0.50097021285605 167.259 > 97 100 Er 0.84068528448939 0.58333333333333 0.50097021285605 167.259 > 97 101 Er 0.34068528448939 0.91666666666667 0.50097021285605 167.259 > 97 102 Er 0.84068528448939 0.91666666666667 0.50097021285605 167.259 > 97 103 Er 0.15931471551061 0.08333333333333 0.49902978714396 167.259 > 103 104 Er 0.65931471551061 0.08333333333333 0.49902978714396 167.259 > 103 105 Er 0.15931471551061 0.41666666666667 0.49902978714396 167.259 > 103 106 Er 0.65931471551061 0.41666666666667 0.49902978714396 167.259 > 103 107 Er 0.15931471551061 0.75000000000000 0.49902978714396 167.259 > 103 108 Er 0.65931471551061 0.75000000000000 0.49902978714396 167.259 > 103 109 Er 0.21825897623234 0.25000000000000 0.83317174717863 167.259 > 109 110 Er 0.71825897623234 0.25000000000000 0.83317174717863 167.259 > 109 111 Er 0.21825897623234 0.58333333333333 0.83317174717863 167.259 > 109 112 Er 0.71825897623234 0.58333333333333 0.83317174717863 167.259 > 109 113 Er 0.21825897623234 0.91666666666667 0.83317174717863 167.259 > 109 114 Er 0.71825897623234 0.91666666666667 0.83317174717863 167.259 > 109 115 Er 0.28174102376766 0.08333333333333 0.16682825282137 167.259 > 115 116 Er 0.78174102376766 0.08333333333333 0.16682825282137 167.259 > 115 117 Er 0.28174102376766 0.41666666666667 0.16682825282137 167.259 > 115 118 Er 0.78174102376766 0.41666666666667 0.16682825282137 167.259 > 115 119 Er 0.28174102376766 0.75000000000000 0.16682825282137 167.259 > 115 120 Er 0.78174102376766 0.75000000000000 0.16682825282137 167.259 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.6297194 0.0000000 -0.1114809 0.0000000 9.2522033 0.0000000 -0.1114944 0.0000000 9.0163401 -------------------------- Born effective charges -------------------------- 1 Se -1.7227000 0.0000000 0.2155913 0.0000000 -2.6793458 0.0000000 0.2810347 0.0000000 -3.4156191 2 Se -1.7227000 0.0000000 0.2155913 0.0000000 -2.6793458 0.0000000 0.2810347 0.0000000 -3.4156191 3 Se -1.7721248 0.0000000 0.2228199 0.0000000 -3.1725980 0.0000000 -0.0934598 0.0000000 -3.0519980 4 Se -1.7721248 0.0000000 0.2228199 0.0000000 -3.1725980 0.0000000 -0.0934598 0.0000000 -3.0519980 5 Se -2.1983892 0.0000000 -0.3934939 0.0000000 -3.0551951 0.0000000 -0.4485572 0.0000000 -2.2125480 6 Se -2.1983892 0.0000000 -0.3934939 0.0000000 -3.0551951 0.0000000 -0.4485572 0.0000000 -2.2125480 7 Se -2.6056673 0.0000000 0.5065398 0.0000000 -2.1974953 0.0000000 0.2973643 0.0000000 -2.6373718 8 Se -2.6056673 0.0000000 0.5065398 0.0000000 -2.1974953 0.0000000 0.2973643 0.0000000 -2.6373718 9 Se -3.3842748 0.0000000 -0.0592854 0.0000000 -2.4879429 0.0000000 -0.0706667 0.0000000 -2.5542213 10 Se -3.3842748 0.0000000 -0.0592854 0.0000000 -2.4879429 0.0000000 -0.0706667 0.0000000 -2.5542213 11 Se -2.7597839 0.0000000 -0.5258627 0.0000000 -3.2243789 0.0000000 -0.2103071 0.0000000 -2.0234543 12 Se -2.7597839 0.0000000 -0.5258627 0.0000000 -3.2243789 0.0000000 -0.2103071 0.0000000 -2.0234543 13 Sm 3.5184775 0.0000000 -0.1502878 0.0000000 4.1041139 0.0000000 -0.3280037 0.0000000 3.7294110 14 Sm 3.5184775 0.0000000 -0.1502878 0.0000000 4.1041139 0.0000000 -0.3280037 0.0000000 3.7294110 15 Er 3.9534497 0.0000000 -0.3303832 0.0000000 4.6412973 0.0000000 -0.0899669 0.0000000 3.5961432 16 Er 3.9534497 0.0000000 -0.3303832 0.0000000 4.6412973 0.0000000 -0.0899669 0.0000000 3.5961432 17 Er 3.8986225 0.0000000 0.0949942 0.0000000 3.6224324 0.0000000 0.5345131 0.0000000 3.8130899 18 Er 3.8986225 0.0000000 0.0949942 0.0000000 3.6224324 0.0000000 0.5345131 0.0000000 3.8130899 19 Er 3.0723902 0.0000000 0.4193677 0.0000000 4.4491125 0.0000000 0.1280492 0.0000000 4.7565685 20 Er 3.0723902 0.0000000 0.4193677 0.0000000 4.4491125 0.0000000 0.1280492 0.0000000 4.7565685 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yxy) -0.00000000 (yxy) -0.00000000 (yyx) 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 ... [ 5 12 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: 0.52, Number of G-points: 291, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/91) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.992 ( 0.000 0.000 0.000) 0.000 1.413 ( 0.000 0.000 0.000) 0.000 1.481 ( 0.000 0.000 0.000) 0.000 1.499 ( 0.000 0.000 0.000) 0.000 1.541 ( 0.000 0.000 0.000) 0.000 1.687 ( 0.000 0.000 0.000) 0.000 1.715 ( 0.000 0.000 0.000) 0.000 1.748 ( 0.000 0.000 0.000) 0.000 1.768 ( 0.000 0.000 0.000) 0.000 1.951 ( 0.000 0.000 0.000) 0.000 2.131 ( 0.000 0.000 0.000) 0.000 2.239 ( 0.000 0.000 0.000) 0.000 2.414 ( 0.000 0.000 0.000) 0.000 2.469 ( 0.000 0.000 0.000) 0.000 2.764 ( 0.000 0.000 0.000) 0.000 2.882 ( 0.000 0.000 0.000) 0.000 3.043 ( 0.000 0.000 0.000) 0.000 3.154 ( 0.000 0.000 0.000) 0.000 3.200 ( 0.000 0.000 0.000) 0.000 3.388 ( 0.000 0.000 0.000) 0.000 3.425 ( 0.000 0.000 0.000) 0.000 3.631 ( 0.000 0.000 0.000) 0.000 3.727 ( 0.000 0.000 0.000) 0.000 3.791 ( 0.000 0.000 0.000) 0.000 3.841 ( 0.000 0.000 0.000) 0.000 3.952 ( 0.000 0.000 0.000) 0.000 3.954 ( 0.000 0.000 0.000) 0.000 4.008 ( 0.000 0.000 0.000) 0.000 4.027 ( 0.000 0.000 0.000) 0.000 4.084 ( 0.000 0.000 0.000) 0.000 4.136 ( 0.000 0.000 0.000) 0.000 4.175 ( 0.000 0.000 0.000) 0.000 4.184 ( 0.000 0.000 0.000) 0.000 4.241 ( 0.000 0.000 0.000) 0.000 4.275 ( 0.000 0.000 0.000) 0.000 4.335 ( 0.000 0.000 0.000) 0.000 4.344 ( 0.000 0.000 0.000) 0.000 4.454 ( 0.000 0.000 0.000) 0.000 4.545 ( 0.000 0.000 0.000) 0.000 4.560 ( 0.000 0.000 0.000) 0.000 4.585 ( 0.000 0.000 0.000) 0.000 4.614 ( 0.000 0.000 0.000) 0.000 4.641 ( 0.000 0.000 0.000) 0.000 4.731 ( 0.000 0.000 0.000) 0.000 4.732 ( 0.000 0.000 0.000) 0.000 4.840 ( 0.000 0.000 0.000) 0.000 4.918 ( 0.000 0.000 0.000) 0.000 5.155 ( 0.000 0.000 0.000) 0.000 5.156 ( 0.000 0.000 0.000) 0.000 5.344 ( 0.000 0.000 0.000) 0.000 5.585 ( 0.000 0.000 0.000) 0.000 5.684 ( 0.000 0.000 0.000) 0.000 5.771 ( 0.000 0.000 0.000) 0.000 5.807 ( 0.000 0.000 0.000) 0.000 6.160 ( 0.000 0.000 0.000) 0.000 6.293 ( 0.000 0.000 0.000) 0.000 6.534 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/91) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.319 ( 14.713 0.000 6.737) 16.182 0.360 ( 17.889 0.000 6.489) 19.029 0.715 ( 35.512 0.000 11.806) 37.423 0.978 ( -1.388 0.000 -1.138) 1.795 1.352 ( -9.278 0.000 -11.786) 15.000 1.392 ( 0.164 0.000 -5.993) 5.995 1.417 ( -4.568 0.000 -6.995) 8.354 1.451 ( -4.437 0.000 3.756) 5.813 1.698 ( 0.238 0.000 0.543) 0.593 1.719 ( 0.982 0.000 0.684) 1.197 1.792 ( 1.440 0.000 5.737) 5.915 1.860 ( -9.915 0.000 10.565) 14.489 1.966 ( 7.172 0.000 1.047) 7.248 2.144 ( 1.265 0.000 -0.080) 1.268 2.229 ( -0.959 0.000 -0.004) 0.959 2.263 ( -5.840 0.000 0.096) 5.841 2.453 ( -9.194 0.000 -2.682) 9.577 2.679 ( -2.251 0.000 -13.805) 13.988 2.991 ( -3.771 0.000 -5.377) 6.568 3.048 ( 5.990 0.000 7.100) 9.289 3.159 ( -0.616 0.000 10.645) 10.663 3.238 ( 6.109 0.000 -5.607) 8.292 3.354 ( -0.262 0.000 -3.566) 3.575 3.508 ( 2.123 0.000 8.326) 8.592 3.599 ( -1.899 0.000 -0.709) 2.027 3.756 ( 2.027 0.000 -0.190) 2.035 3.795 ( 0.377 0.000 0.171) 0.414 3.906 ( 1.340 0.000 1.999) 2.407 3.943 ( 0.017 0.000 -1.388) 1.388 3.969 ( 0.702 0.000 1.024) 1.241 4.017 ( 0.954 0.000 -0.140) 0.965 4.022 ( -0.654 0.000 0.019) 0.655 4.085 ( 0.169 0.000 0.195) 0.258 4.111 ( -2.329 0.000 -4.526) 5.090 4.171 ( -0.555 0.000 0.402) 0.685 4.194 ( 1.195 0.000 -0.625) 1.348 4.294 ( -2.598 0.000 0.391) 2.627 4.302 ( 0.004 0.000 2.977) 2.977 4.381 ( 2.060 0.000 -0.159) 2.066 4.411 ( -2.335 0.000 0.221) 2.345 4.422 ( -2.765 0.000 2.356) 3.633 4.553 ( -0.344 0.000 -0.569) 0.665 4.571 ( 0.083 0.000 6.870) 6.870 4.594 ( 0.517 0.000 0.886) 1.025 4.637 ( -0.335 0.000 -0.365) 0.495 4.668 ( 0.004 0.000 0.262) 0.262 4.733 ( -0.075 0.000 -3.228) 3.229 4.813 ( 2.317 0.000 -5.342) 5.823 4.940 ( 0.067 0.000 0.895) 0.898 5.069 ( -1.341 0.000 -0.449) 1.414 5.146 ( 0.574 0.000 0.016) 0.574 5.401 ( 4.009 0.000 2.129) 4.539 5.510 ( -5.281 0.000 6.548) 8.412 5.568 ( -0.580 0.000 -3.374) 3.424 5.649 ( -3.758 0.000 2.066) 4.288 5.789 ( 1.382 0.000 -0.194) 1.396 6.135 ( 6.032 0.000 -15.822) 16.933 6.178 ( 3.786 0.000 -7.147) 8.088 6.455 ( -7.510 0.000 15.826) 17.517 6.543 ( -0.981 0.000 4.670) 4.772 ======================= Grid point 2 (3/91) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 8.428 0.000 4.003) 9.331 0.699 ( 14.773 0.000 6.811) 16.267 0.924 ( -3.031 0.000 -1.749) 3.499 1.082 ( -12.322 0.000 -8.672) 15.068 1.321 ( 18.163 0.000 0.172) 18.164 1.366 ( 2.159 0.000 -7.740) 8.036 1.394 ( -4.753 0.000 6.360) 7.940 1.466 ( 20.439 0.000 5.071) 21.059 1.617 ( -15.127 0.000 2.950) 15.412 1.698 ( -0.079 0.000 -0.042) 0.089 1.748 ( 0.900 0.000 0.802) 1.206 1.836 ( -0.097 0.000 2.903) 2.905 1.982 ( -19.464 0.000 -7.037) 20.696 2.137 ( -1.074 0.000 1.191) 1.604 2.163 ( 0.819 0.000 -0.338) 0.887 2.212 ( -0.757 0.000 0.216) 0.787 2.348 ( 0.435 0.000 7.447) 7.460 2.564 ( -1.131 0.000 -12.371) 12.422 2.902 ( -2.102 0.000 -2.782) 3.487 3.153 ( -2.679 0.000 16.058) 16.280 3.195 ( 4.877 0.000 -13.436) 14.294 3.317 ( 2.455 0.000 -2.564) 3.550 3.401 ( 5.299 0.000 6.781) 8.606 3.514 ( -3.016 0.000 -0.544) 3.064 3.640 ( 3.632 0.000 6.845) 7.748 3.758 ( -1.444 0.000 -5.052) 5.254 3.803 ( 0.269 0.000 0.132) 0.299 3.931 ( 0.624 0.000 0.685) 0.927 3.936 ( -0.035 0.000 -0.622) 0.623 3.974 ( -4.467 0.000 -1.068) 4.593 3.988 ( 0.945 0.000 0.402) 1.027 4.007 ( -0.988 0.000 -0.012) 0.988 4.082 ( 1.434 0.000 -1.160) 1.844 4.093 ( 0.460 0.000 0.103) 0.472 4.162 ( -0.528 0.000 0.204) 0.566 4.212 ( 1.086 0.000 -0.511) 1.200 4.257 ( -1.554 0.000 0.372) 1.598 4.296 ( -0.811 0.000 0.307) 0.867 4.380 ( -0.549 0.000 -0.967) 1.112 4.407 ( 0.795 0.000 -0.050) 0.796 4.408 ( -0.641 0.000 1.237) 1.393 4.546 ( -0.155 0.000 -0.243) 0.288 4.609 ( 0.525 0.000 0.822) 0.976 4.623 ( 2.596 0.000 2.368) 3.514 4.626 ( -0.480 0.000 -0.608) 0.775 4.665 ( -1.120 0.000 2.129) 2.406 4.690 ( -2.145 0.000 -2.183) 3.061 4.861 ( 3.674 0.000 -2.181) 4.272 4.915 ( -2.031 0.000 -0.350) 2.061 5.068 ( 0.922 0.000 0.131) 0.932 5.164 ( 0.592 0.000 0.564) 0.818 5.441 ( -1.687 0.000 0.844) 1.886 5.479 ( 0.653 0.000 1.151) 1.323 5.531 ( -1.074 0.000 -1.945) 2.222 5.610 ( -1.574 0.000 1.320) 2.054 5.806 ( 0.565 0.000 -0.215) 0.605 6.150 ( 1.622 0.000 -2.435) 2.926 6.193 ( 1.419 0.000 -3.111) 3.419 6.426 ( -2.293 0.000 3.629) 4.293 6.551 ( -0.473 0.000 1.849) 1.908 ======================= Grid point 5 (4/91) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.351 ( 0.000 17.897 0.000) 17.897 0.417 ( 0.000 20.240 0.000) 20.240 0.766 ( 0.000 36.319 0.000) 36.319 1.122 ( 0.000 11.694 0.000) 11.694 1.438 ( 0.000 2.186 0.000) 2.186 1.487 ( 0.000 -0.765 0.000) 0.765 1.558 ( 0.000 5.380 0.000) 5.380 1.560 ( 0.000 3.953 0.000) 3.953 1.770 ( 0.000 2.371 0.000) 2.371 1.771 ( 0.000 3.109 0.000) 3.109 1.833 ( 0.000 11.610 0.000) 11.610 1.894 ( 0.000 13.219 0.000) 13.219 1.942 ( 0.000 -0.639 0.000) 0.639 2.168 ( 0.000 2.582 0.000) 2.582 2.301 ( 0.000 6.116 0.000) 6.116 2.418 ( 0.000 0.265 0.000) 0.265 2.489 ( 0.000 1.983 0.000) 1.983 2.747 ( 0.000 -1.440 0.000) 1.440 2.882 ( 0.000 0.229 0.000) 0.229 3.054 ( 0.000 0.897 0.000) 0.897 3.123 ( 0.000 -2.689 0.000) 2.689 3.221 ( 0.000 2.120 0.000) 2.120 3.373 ( 0.000 -0.965 0.000) 0.965 3.378 ( 0.000 -3.958 0.000) 3.958 3.601 ( 0.000 -2.261 0.000) 2.261 3.709 ( 0.000 -1.443 0.000) 1.443 3.812 ( 0.000 -1.423 0.000) 1.423 3.820 ( 0.000 0.703 0.000) 0.703 3.964 ( 0.000 0.646 0.000) 0.646 4.053 ( 0.000 5.695 0.000) 5.695 4.065 ( 0.000 0.142 0.000) 0.142 4.094 ( 0.000 2.748 0.000) 2.748 4.099 ( 0.000 -1.872 0.000) 1.872 4.127 ( 0.000 6.187 0.000) 6.187 4.233 ( 0.000 4.261 0.000) 4.261 4.243 ( 0.000 -0.791 0.000) 0.791 4.298 ( 0.000 5.064 0.000) 5.064 4.360 ( 0.000 -0.014 0.000) 0.014 4.394 ( 0.000 3.730 0.000) 3.730 4.468 ( 0.000 2.362 0.000) 2.362 4.511 ( 0.000 -0.019 0.000) 0.019 4.546 ( 0.000 -2.194 0.000) 2.194 4.605 ( 0.000 5.265 0.000) 5.265 4.633 ( 0.000 1.121 0.000) 1.121 4.690 ( 0.000 3.001 0.000) 3.001 4.725 ( 0.000 -0.149 0.000) 0.149 4.745 ( 0.000 1.378 0.000) 1.378 4.833 ( 0.000 -0.173 0.000) 0.173 4.946 ( 0.000 2.829 0.000) 2.829 5.108 ( 0.000 -4.351 0.000) 4.351 5.175 ( 0.000 1.960 0.000) 1.960 5.319 ( 0.000 -2.219 0.000) 2.219 5.540 ( 0.000 -4.168 0.000) 4.168 5.631 ( 0.000 -4.919 0.000) 4.919 5.760 ( 0.000 -1.030 0.000) 1.030 5.760 ( 0.000 -4.219 0.000) 4.219 6.061 ( 0.000 -3.143 0.000) 3.143 6.148 ( 0.000 -1.230 0.000) 1.230 6.266 ( 0.000 -2.446 0.000) 2.446 6.481 ( 0.000 -4.840 0.000) 4.840 ======================= Grid point 6 (5/91) ======================= q-point: ( 0.20 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 11.181 14.969 1.896) 18.780 0.586 ( 15.654 13.116 3.648) 20.746 0.970 ( 17.761 25.176 7.623) 31.739 1.112 ( -0.010 11.607 -0.094) 11.607 1.350 ( -8.012 1.341 -10.092) 12.955 1.392 ( -0.585 1.409 -6.051) 6.240 1.521 ( -3.109 7.582 4.499) 9.349 1.561 ( -1.832 9.205 -6.543) 11.441 1.736 ( -3.367 2.825 4.213) 6.088 1.776 ( 0.038 0.492 3.139) 3.177 1.873 ( -0.565 11.243 1.563) 11.365 1.902 ( -5.472 3.964 3.290) 7.516 1.997 ( 7.356 3.289 3.736) 8.882 2.163 ( -0.643 1.956 -0.424) 2.102 2.290 ( -3.936 4.459 3.308) 6.806 2.304 ( -2.585 5.443 -0.814) 6.081 2.483 ( -5.296 2.613 -4.749) 7.578 2.671 ( -2.741 -0.421 -10.590) 10.947 2.956 ( -0.283 -3.066 -1.153) 3.288 3.024 ( 3.591 -0.144 1.792) 4.016 3.156 ( 0.306 -0.118 10.389) 10.394 3.249 ( 4.636 1.336 -4.841) 6.835 3.328 ( -0.693 -1.710 -4.104) 4.500 3.467 ( 3.013 -3.757 7.261) 8.713 3.566 ( -2.714 -2.115 -0.393) 3.463 3.723 ( 1.075 -2.511 -1.204) 2.986 3.818 ( -0.373 -0.348 0.782) 0.934 3.828 ( 0.878 -2.422 1.443) 2.953 3.969 ( 0.168 1.386 0.177) 1.407 4.034 ( -1.133 2.177 -1.365) 2.808 4.066 ( 0.179 1.338 0.087) 1.353 4.076 ( -0.300 3.010 0.021) 3.025 4.118 ( 0.745 5.132 0.657) 5.228 4.161 ( 1.705 4.082 0.796) 4.495 4.223 ( -1.632 2.804 2.485) 4.087 4.247 ( -0.393 3.890 -1.077) 4.056 4.293 ( 0.527 2.087 0.034) 2.152 4.330 ( -2.251 0.139 -0.967) 2.454 4.362 ( -2.334 1.365 -2.305) 3.553 4.467 ( -1.216 2.850 1.160) 3.308 4.499 ( 0.309 1.252 -0.989) 1.625 4.550 ( -0.410 3.058 3.455) 4.632 4.610 ( 1.214 2.306 -0.724) 2.704 4.633 ( -0.522 1.774 1.418) 2.331 4.678 ( -1.084 2.591 -1.013) 2.986 4.693 ( -1.100 1.240 0.388) 1.702 4.766 ( 0.219 4.636 -1.614) 4.914 4.825 ( 2.197 0.378 -3.584) 4.221 4.946 ( -1.052 0.666 0.084) 1.248 5.081 ( -1.117 -1.479 -0.097) 1.856 5.160 ( -0.613 2.322 -1.336) 2.748 5.365 ( 3.557 -3.339 1.487) 5.101 5.523 ( -1.645 -3.149 -0.939) 3.675 5.585 ( -7.208 0.881 0.531) 7.281 5.610 ( -5.815 -2.242 3.748) 7.273 5.771 ( 0.990 -1.577 -0.697) 1.988 6.102 ( 7.838 -3.749 -18.636) 20.562 6.128 ( -0.821 -3.256 3.053) 4.538 6.356 ( -0.753 -6.381 13.413) 14.872 6.472 ( -0.636 -5.337 0.121) 5.376 ======================= Grid point 7 (6/91) ======================= q-point: ( 0.40 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 13.064 10.126 2.418) 16.705 0.845 ( 9.168 15.257 7.201) 19.202 1.005 ( -5.690 9.472 -3.427) 11.568 1.122 ( -9.372 4.759 -8.530) 13.536 1.403 ( 7.060 3.990 -4.111) 9.092 1.459 ( 14.219 7.764 3.113) 16.497 1.488 ( -2.456 7.856 2.740) 8.675 1.518 ( 7.675 9.343 0.463) 12.100 1.614 ( -11.384 2.601 3.520) 12.196 1.795 ( -2.033 3.202 2.631) 4.616 1.834 ( 0.221 4.569 -0.927) 4.667 1.870 ( -1.299 8.091 1.409) 8.315 2.059 ( -12.793 7.340 -5.331) 15.683 2.118 ( 2.112 -0.219 2.859) 3.561 2.217 ( -1.892 4.338 -0.188) 4.736 2.286 ( -0.626 6.721 -0.371) 6.760 2.402 ( 0.054 4.909 6.415) 8.078 2.564 ( -1.267 0.498 -11.443) 11.524 2.891 ( -1.906 -1.157 -2.265) 3.178 3.146 ( 1.953 -0.989 11.091) 11.305 3.209 ( 2.271 1.445 -4.970) 5.652 3.250 ( -0.096 -3.658 -6.512) 7.470 3.381 ( 4.577 -1.662 6.784) 8.351 3.497 ( -2.467 -1.117 -0.504) 2.755 3.577 ( 3.367 -5.737 4.161) 7.846 3.696 ( -2.722 -3.492 -4.084) 6.024 3.819 ( 0.028 -2.378 0.493) 2.428 3.852 ( 0.822 -3.411 0.581) 3.557 3.963 ( -0.970 3.753 -0.243) 3.884 3.997 ( -1.468 1.081 -0.568) 1.909 4.066 ( 0.564 2.905 -0.309) 2.975 4.092 ( 0.285 4.317 0.763) 4.394 4.121 ( -0.230 6.130 0.320) 6.143 4.158 ( -1.337 5.153 -0.305) 5.332 4.232 ( -0.153 5.036 0.383) 5.053 4.237 ( 0.997 0.743 1.283) 1.786 4.290 ( -1.203 0.526 -1.152) 1.747 4.302 ( 0.591 1.284 -0.536) 1.512 4.328 ( -0.689 1.037 -0.621) 1.391 4.463 ( 0.143 4.146 1.218) 4.323 4.498 ( -0.066 4.857 -1.313) 5.032 4.567 ( 0.226 1.613 1.523) 2.230 4.629 ( 0.798 1.133 0.030) 1.387 4.640 ( 0.552 0.657 0.995) 1.314 4.656 ( -0.619 1.339 -0.809) 1.682 4.681 ( -0.845 2.311 0.329) 2.483 4.747 ( -0.726 7.226 -0.406) 7.274 4.863 ( 2.660 0.378 -1.827) 3.249 4.910 ( -1.840 -0.708 -0.748) 2.109 5.091 ( 1.261 1.607 0.894) 2.230 5.144 ( -0.747 -1.129 -0.617) 1.488 5.426 ( 2.180 -3.856 0.440) 4.452 5.472 ( -3.242 1.387 2.030) 4.069 5.506 ( -1.241 -1.989 -2.296) 3.281 5.564 ( -1.808 -4.307 1.269) 4.841 5.780 ( 0.399 -2.163 -0.274) 2.216 6.111 ( 1.630 -3.511 -3.879) 5.480 6.142 ( 0.749 -4.422 -0.583) 4.523 6.383 ( -1.063 -3.753 3.607) 5.313 6.469 ( -0.162 -6.978 0.623) 7.007 ======================= Grid point 10 (7/91) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 0.000 18.048 0.000) 18.048 0.835 ( 0.000 20.002 0.000) 20.002 1.396 ( 0.000 18.176 0.000) 18.176 1.482 ( 0.000 12.809 0.000) 12.809 1.497 ( 0.000 2.184 0.000) 2.184 1.531 ( 0.000 20.644 0.000) 20.644 1.647 ( 0.000 4.119 0.000) 4.119 1.692 ( 0.000 7.690 0.000) 7.690 1.856 ( 0.000 5.921 0.000) 5.921 1.865 ( 0.000 5.778 0.000) 5.778 1.932 ( 0.000 -0.266 0.000) 0.266 2.097 ( 0.000 12.259 0.000) 12.259 2.179 ( 0.000 11.446 0.000) 11.446 2.222 ( 0.000 2.600 0.000) 2.600 2.412 ( 0.000 -1.014 0.000) 1.014 2.516 ( 0.000 14.778 0.000) 14.778 2.536 ( 0.000 1.170 0.000) 1.170 2.724 ( 0.000 0.450 0.000) 0.450 2.895 ( 0.000 0.936 0.000) 0.936 3.074 ( 0.000 0.875 0.000) 0.875 3.078 ( 0.000 -0.055 0.000) 0.055 3.281 ( 0.000 3.145 0.000) 3.145 3.294 ( 0.000 -3.301 0.000) 3.301 3.367 ( 0.000 0.551 0.000) 0.551 3.565 ( 0.000 -0.733 0.000) 0.733 3.674 ( 0.000 -2.157 0.000) 2.157 3.789 ( 0.000 -0.887 0.000) 0.887 3.795 ( 0.000 -1.682 0.000) 1.682 4.022 ( 0.000 2.919 0.000) 2.919 4.036 ( 0.000 -0.496 0.000) 0.496 4.064 ( 0.000 -1.458 0.000) 1.458 4.112 ( 0.000 -1.319 0.000) 1.319 4.217 ( 0.000 7.129 0.000) 7.129 4.227 ( 0.000 3.153 0.000) 3.153 4.306 ( 0.000 5.923 0.000) 5.923 4.333 ( 0.000 4.900 0.000) 4.900 4.341 ( 0.000 -0.655 0.000) 0.655 4.417 ( 0.000 5.568 0.000) 5.568 4.451 ( 0.000 0.686 0.000) 0.686 4.494 ( 0.000 0.490 0.000) 0.490 4.512 ( 0.000 -0.806 0.000) 0.806 4.547 ( 0.000 2.093 0.000) 2.093 4.626 ( 0.000 -1.184 0.000) 1.184 4.667 ( 0.000 0.989 0.000) 0.989 4.743 ( 0.000 0.763 0.000) 0.763 4.771 ( 0.000 2.442 0.000) 2.442 4.776 ( 0.000 3.386 0.000) 3.386 4.890 ( 0.000 6.680 0.000) 6.680 4.990 ( 0.000 -6.421 0.000) 6.421 5.022 ( 0.000 3.551 0.000) 3.551 5.223 ( 0.000 0.624 0.000) 0.624 5.279 ( 0.000 0.684 0.000) 0.684 5.428 ( 0.000 -6.226 0.000) 6.226 5.504 ( 0.000 -6.433 0.000) 6.433 5.657 ( 0.000 -5.037 0.000) 5.037 5.731 ( 0.000 -1.761 0.000) 1.761 5.974 ( 0.000 -5.099 0.000) 5.099 6.107 ( 0.000 -2.848 0.000) 2.848 6.200 ( 0.000 -3.679 0.000) 3.679 6.351 ( 0.000 -7.185 0.000) 7.185 ======================= Grid point 11 (8/91) ======================= q-point: ( 0.20 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 151 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 12.314 14.679 1.805) 19.245 0.886 ( 5.925 17.709 0.348) 18.677 1.381 ( -5.395 5.873 -7.278) 10.797 1.395 ( -1.810 13.523 -1.100) 13.688 1.472 ( 0.988 7.157 -3.388) 7.979 1.592 ( 5.166 25.739 1.146) 26.277 1.702 ( -0.753 9.455 6.755) 11.645 1.714 ( 2.762 3.623 -0.191) 4.560 1.801 ( -6.127 4.077 5.314) 9.078 1.844 ( -2.161 8.339 -1.956) 8.833 1.959 ( 2.851 1.994 -1.419) 3.758 2.079 ( -2.370 3.508 5.829) 7.204 2.140 ( -3.297 11.092 -1.261) 11.640 2.254 ( 2.572 7.669 -2.110) 8.360 2.374 ( -2.479 2.612 1.056) 3.753 2.487 ( -1.859 7.519 0.970) 7.806 2.559 ( -0.219 7.219 -2.836) 7.760 2.691 ( -1.238 3.718 -4.894) 6.270 2.895 ( -1.561 -1.820 0.658) 2.487 3.039 ( 1.674 1.423 -0.929) 2.386 3.157 ( 2.979 0.494 4.705) 5.591 3.285 ( 0.400 1.739 2.692) 3.230 3.305 ( 0.605 -1.288 -0.439) 1.489 3.389 ( 2.781 -1.734 -2.966) 4.420 3.533 ( -3.014 -0.859 0.239) 3.143 3.665 ( -0.216 -3.036 -2.508) 3.944 3.775 ( -1.449 -1.726 0.951) 2.446 3.794 ( -0.671 -1.616 0.861) 1.950 4.012 ( -0.087 0.900 -2.231) 2.408 4.049 ( 0.038 0.856 2.021) 2.195 4.086 ( 1.292 -0.482 1.110) 1.770 4.106 ( 0.342 -0.088 1.164) 1.216 4.230 ( -0.143 4.967 1.120) 5.094 4.243 ( 1.350 4.176 1.174) 4.543 4.312 ( -1.028 0.674 -1.308) 1.795 4.319 ( -1.038 3.922 2.311) 4.669 4.336 ( 0.450 5.246 -0.216) 5.269 4.386 ( -2.894 4.635 -1.505) 5.668 4.417 ( -1.762 2.309 -0.997) 3.071 4.488 ( -0.835 -0.081 -0.233) 0.871 4.512 ( 2.112 0.361 0.735) 2.265 4.601 ( 3.440 2.176 -0.901) 4.169 4.624 ( 0.382 -0.542 -0.908) 1.124 4.658 ( -1.289 0.025 1.189) 1.754 4.723 ( -1.693 1.877 2.760) 3.743 4.763 ( -0.650 4.755 -0.978) 4.898 4.831 ( 5.239 0.950 -3.473) 6.357 4.895 ( 0.917 6.828 -0.343) 6.898 4.939 ( -3.381 -2.768 -0.598) 4.410 5.056 ( 1.726 0.907 1.225) 2.303 5.223 ( -0.946 2.815 -1.250) 3.222 5.284 ( 1.615 -3.296 0.123) 3.672 5.433 ( 0.570 -4.919 -0.651) 4.995 5.487 ( -2.184 -6.004 0.704) 6.427 5.597 ( -6.722 -1.806 4.104) 8.081 5.733 ( 0.695 -2.020 -1.941) 2.886 5.994 ( 3.095 -5.816 -3.947) 7.680 6.070 ( -1.683 -2.866 -2.793) 4.342 6.235 ( 1.086 -5.552 4.554) 7.262 6.339 ( -1.274 -6.982 0.164) 7.099 ======================= Grid point 12 (9/91) ======================= q-point: ( 0.40 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 151 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 8.327 13.711 2.967) 16.313 1.113 ( 11.214 11.879 1.640) 16.418 1.215 ( -8.225 8.943 -4.841) 13.080 1.348 ( -2.136 13.694 -2.906) 14.161 1.485 ( 1.682 6.226 -3.241) 7.218 1.596 ( -5.238 4.469 1.495) 7.046 1.713 ( -3.700 10.211 7.318) 13.096 1.724 ( 1.618 7.156 -4.891) 8.818 1.802 ( 2.586 12.639 -0.591) 12.914 1.847 ( 4.653 8.602 3.941) 10.544 1.963 ( -2.957 6.100 0.073) 6.779 2.058 ( -2.741 6.508 0.541) 7.082 2.140 ( 3.336 6.068 3.462) 7.742 2.252 ( -1.880 9.723 -0.624) 9.923 2.359 ( -0.825 7.023 0.946) 7.134 2.420 ( -2.437 4.929 -7.330) 9.163 2.538 ( -1.288 7.526 5.431) 9.370 2.650 ( 0.218 9.578 -5.157) 10.881 2.857 ( -1.494 -0.948 -0.469) 1.830 3.100 ( 3.177 -3.284 0.760) 4.632 3.219 ( 0.287 2.446 5.250) 5.799 3.284 ( -0.550 3.894 -5.443) 6.715 3.340 ( 2.426 -2.236 3.841) 5.064 3.410 ( 0.768 -8.285 -0.837) 8.363 3.491 ( -1.321 -0.377 -0.478) 1.454 3.636 ( -0.925 -2.335 -1.990) 3.204 3.759 ( -0.712 -1.856 0.545) 2.061 3.787 ( -0.421 -2.799 0.442) 2.864 3.998 ( -0.145 0.497 -0.910) 1.047 4.065 ( 0.835 1.353 0.866) 1.810 4.087 ( -1.110 0.839 0.319) 1.428 4.144 ( 1.520 0.753 0.841) 1.893 4.221 ( -1.046 2.550 1.465) 3.122 4.272 ( -1.933 3.084 0.433) 3.665 4.275 ( 1.305 4.478 0.536) 4.695 4.307 ( -1.057 4.189 -0.510) 4.351 4.347 ( 0.367 4.227 -0.012) 4.243 4.350 ( -0.209 3.264 -0.500) 3.309 4.390 ( -0.573 3.122 -1.106) 3.361 4.486 ( 0.405 -1.432 0.470) 1.561 4.567 ( 3.069 1.518 0.463) 3.455 4.614 ( -1.525 0.025 -0.524) 1.613 4.621 ( -0.080 1.736 -0.570) 1.829 4.666 ( 1.129 0.715 0.570) 1.453 4.711 ( -0.900 3.335 0.374) 3.475 4.751 ( -0.325 3.745 0.284) 3.770 4.869 ( 0.878 3.195 -1.087) 3.487 4.880 ( -1.679 -1.420 -0.523) 2.260 4.944 ( 3.521 6.931 -1.439) 7.907 5.080 ( -0.362 -0.988 1.682) 1.984 5.187 ( -1.191 3.616 -1.050) 3.949 5.323 ( 1.960 -4.794 -0.449) 5.199 5.436 ( 0.322 -3.476 -0.910) 3.608 5.443 ( -2.848 -6.577 1.662) 7.357 5.522 ( -2.899 1.589 1.525) 3.640 5.732 ( 0.216 -2.250 -0.781) 2.392 6.016 ( 2.477 -5.479 -5.448) 8.114 6.038 ( -1.755 -4.993 2.794) 5.985 6.278 ( 1.367 -6.844 2.242) 7.331 6.313 ( -1.595 -6.556 -0.397) 6.759 ======================= Grid point 15 (10/91) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 0.000 15.466 0.000) 15.466 1.229 ( 0.000 17.647 0.000) 17.647 1.577 ( 0.000 5.285 0.000) 5.285 1.587 ( 0.000 4.606 0.000) 4.606 1.723 ( 0.000 13.090 0.000) 13.090 1.735 ( 0.000 4.334 0.000) 4.334 1.797 ( 0.000 6.266 0.000) 6.266 1.907 ( 0.000 0.645 0.000) 0.645 1.977 ( 0.000 5.589 0.000) 5.589 1.981 ( 0.000 4.783 0.000) 4.783 2.140 ( 0.000 18.342 0.000) 18.342 2.256 ( 0.000 1.707 0.000) 1.707 2.303 ( 0.000 7.693 0.000) 7.693 2.328 ( 0.000 1.966 0.000) 1.966 2.441 ( 0.000 6.367 0.000) 6.367 2.488 ( 0.000 -4.127 0.000) 4.127 2.724 ( 0.000 1.057 0.000) 1.057 2.823 ( 0.000 8.974 0.000) 8.974 3.012 ( 0.000 12.035 0.000) 12.035 3.062 ( 0.000 -3.109 0.000) 3.109 3.168 ( 0.000 8.878 0.000) 8.878 3.271 ( 0.000 1.676 0.000) 1.676 3.334 ( 0.000 1.862 0.000) 1.862 3.399 ( 0.000 2.573 0.000) 2.573 3.583 ( 0.000 2.493 0.000) 2.493 3.604 ( 0.000 -4.443 0.000) 4.443 3.776 ( 0.000 -0.118 0.000) 0.118 3.795 ( 0.000 1.930 0.000) 1.930 4.033 ( 0.000 -0.703 0.000) 0.703 4.038 ( 0.000 -1.924 0.000) 1.924 4.047 ( 0.000 0.609 0.000) 0.609 4.087 ( 0.000 0.728 0.000) 0.728 4.254 ( 0.000 -1.121 0.000) 1.121 4.325 ( 0.000 2.931 0.000) 2.931 4.348 ( 0.000 1.222 0.000) 1.222 4.406 ( 0.000 -0.310 0.000) 0.310 4.412 ( 0.000 3.612 0.000) 3.612 4.424 ( 0.000 -0.421 0.000) 0.421 4.483 ( 0.000 -0.196 0.000) 0.196 4.524 ( 0.000 2.913 0.000) 2.913 4.527 ( 0.000 1.769 0.000) 1.769 4.539 ( 0.000 -1.239 0.000) 1.239 4.640 ( 0.000 2.945 0.000) 2.945 4.701 ( 0.000 1.818 0.000) 1.818 4.763 ( 0.000 1.674 0.000) 1.674 4.789 ( 0.000 0.575 0.000) 0.575 4.859 ( 0.000 2.836 0.000) 2.836 4.871 ( 0.000 -4.307 0.000) 4.307 5.048 ( 0.000 -1.316 0.000) 1.316 5.051 ( 0.000 7.409 0.000) 7.409 5.200 ( 0.000 -0.907 0.000) 0.907 5.301 ( 0.000 -5.669 0.000) 5.669 5.350 ( 0.000 3.837 0.000) 3.837 5.405 ( 0.000 -2.429 0.000) 2.429 5.580 ( 0.000 -2.023 0.000) 2.023 5.685 ( 0.000 -2.824 0.000) 2.824 5.860 ( 0.000 -5.589 0.000) 5.589 6.021 ( 0.000 -5.638 0.000) 5.638 6.126 ( 0.000 -3.217 0.000) 3.217 6.212 ( 0.000 -5.623 0.000) 5.623 ======================= Grid point 16 (11/91) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 8.649 13.500 -0.026) 16.033 1.246 ( 1.890 16.241 0.345) 16.354 1.508 ( -2.264 7.126 -6.307) 9.782 1.581 ( -1.711 6.613 -1.190) 6.934 1.714 ( -0.246 11.050 0.548) 11.067 1.753 ( -0.607 3.425 -0.211) 3.485 1.827 ( -4.531 2.772 5.717) 7.804 1.867 ( 0.926 6.829 1.642) 7.085 1.999 ( 3.389 2.469 -0.419) 4.214 2.014 ( 2.803 6.496 -4.166) 8.211 2.084 ( -6.527 7.822 2.460) 10.481 2.207 ( -2.524 10.409 2.204) 10.935 2.327 ( 0.609 10.724 3.077) 11.174 2.347 ( 1.767 -1.529 -2.003) 3.078 2.456 ( 3.980 5.318 -4.564) 8.060 2.512 ( -0.574 0.512 2.778) 2.883 2.711 ( -0.805 0.712 1.698) 2.010 2.805 ( -1.761 8.660 -1.203) 8.919 3.011 ( 0.147 11.203 -0.653) 11.223 3.076 ( -0.083 0.244 2.036) 2.052 3.171 ( 1.343 3.179 -1.228) 3.663 3.294 ( 1.536 2.835 0.668) 3.293 3.321 ( -1.472 1.768 1.417) 2.702 3.415 ( 1.951 2.573 -1.749) 3.672 3.544 ( -3.206 1.907 -0.883) 3.834 3.596 ( 0.305 -3.020 -3.148) 4.373 3.764 ( -1.319 0.513 0.901) 1.678 3.788 ( -1.249 1.762 0.913) 2.345 4.021 ( -0.074 -2.132 -0.430) 2.176 4.028 ( -0.291 0.850 -1.518) 1.764 4.082 ( 2.654 -1.004 1.082) 3.036 4.103 ( 0.240 0.997 2.826) 3.006 4.272 ( 0.028 -1.441 1.641) 2.185 4.309 ( -0.763 2.119 -0.357) 2.281 4.343 ( -1.051 0.558 0.846) 1.460 4.383 ( -1.130 0.277 0.296) 1.201 4.402 ( -0.694 2.542 -0.690) 2.724 4.434 ( 0.717 1.772 -1.867) 2.673 4.454 ( -0.751 0.270 -1.313) 1.537 4.512 ( -1.394 3.430 1.336) 3.936 4.529 ( 0.015 0.433 0.273) 0.512 4.597 ( 3.730 -1.595 -0.353) 4.072 4.642 ( 0.093 2.655 -0.061) 2.657 4.693 ( -0.610 2.416 0.950) 2.667 4.733 ( -1.851 0.036 2.117) 2.813 4.854 ( -0.861 -1.349 -0.548) 1.691 4.858 ( 4.609 1.333 -3.024) 5.671 4.866 ( 1.845 2.355 -0.635) 3.058 5.037 ( -0.186 3.513 -0.095) 3.519 5.071 ( 0.995 1.471 0.249) 1.793 5.204 ( 0.230 -1.834 0.493) 1.913 5.281 ( -1.315 -2.001 -1.017) 2.601 5.368 ( 0.740 0.722 1.286) 1.650 5.393 ( -1.406 -2.191 0.380) 2.631 5.561 ( -2.993 -1.195 3.329) 4.633 5.686 ( 1.213 -2.610 -2.981) 4.144 5.874 ( 1.413 -5.626 -0.375) 5.813 5.990 ( -2.618 -5.298 -1.428) 6.080 6.131 ( 0.567 -4.067 -0.274) 4.115 6.208 ( -0.653 -5.266 0.878) 5.379 ======================= Grid point 17 (12/91) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 3.411 12.328 1.592) 12.890 1.338 ( 8.319 9.873 -0.779) 12.934 1.435 ( -0.616 11.864 -2.377) 12.115 1.568 ( -0.227 7.715 -1.280) 7.824 1.637 ( -6.061 7.238 -1.638) 9.582 1.685 ( -5.430 3.935 0.326) 6.714 1.802 ( 0.062 4.690 1.705) 4.990 1.921 ( 0.695 6.910 3.707) 7.872 1.998 ( -0.691 7.996 0.556) 8.046 2.019 ( 0.211 5.579 -3.300) 6.485 2.088 ( 4.362 3.085 -2.026) 5.714 2.163 ( -4.006 6.668 2.973) 8.327 2.361 ( 1.184 -2.088 -0.568) 2.467 2.387 ( 2.237 11.985 2.367) 12.420 2.457 ( -1.681 9.259 -0.677) 9.435 2.531 ( 1.819 0.964 0.491) 2.117 2.717 ( 0.151 -0.233 0.040) 0.281 2.760 ( -1.886 12.724 -0.911) 12.896 3.018 ( 1.396 4.052 -0.323) 4.298 3.061 ( -2.185 9.007 0.514) 9.282 3.207 ( 2.279 -5.336 0.528) 5.826 3.278 ( -1.997 -1.457 -0.374) 2.500 3.350 ( 1.703 5.899 4.396) 7.551 3.411 ( -0.518 5.941 -6.005) 8.463 3.500 ( -0.939 1.096 0.652) 1.584 3.588 ( 0.500 -2.675 -1.465) 3.091 3.752 ( -0.563 1.118 1.185) 1.724 3.766 ( -1.119 1.872 -0.169) 2.187 4.011 ( -0.377 0.110 -0.230) 0.455 4.033 ( 0.838 -1.022 -0.616) 1.458 4.109 ( -0.415 -0.292 1.020) 1.139 4.142 ( 2.022 -0.135 1.367) 2.444 4.251 ( -1.501 0.410 0.812) 1.755 4.295 ( -0.844 -1.162 -0.568) 1.545 4.344 ( 0.222 -0.407 0.708) 0.846 4.386 ( -0.095 3.341 1.647) 3.726 4.390 ( 0.028 1.637 -0.029) 1.637 4.415 ( -1.152 2.150 -1.793) 3.028 4.448 ( 1.490 0.583 -2.312) 2.811 4.490 ( -1.422 4.338 0.721) 4.622 4.543 ( 0.619 -2.503 0.743) 2.683 4.611 ( -0.658 0.519 -0.874) 1.211 4.657 ( 0.876 -1.129 0.191) 1.442 4.710 ( 1.271 4.757 0.738) 4.979 4.722 ( -0.765 -0.721 1.361) 1.720 4.836 ( -0.521 -1.721 -0.264) 1.818 4.853 ( -0.279 4.707 -1.015) 4.824 4.950 ( 3.833 3.674 -1.141) 5.431 5.047 ( 1.797 1.835 -1.394) 2.923 5.078 ( -0.817 0.313 0.975) 1.310 5.203 ( -0.878 -0.461 0.479) 1.101 5.271 ( 1.432 -3.251 -0.444) 3.580 5.336 ( -3.686 -2.445 0.962) 4.526 5.400 ( 0.640 1.667 0.507) 1.856 5.532 ( -1.545 -0.872 1.375) 2.244 5.694 ( 1.056 -1.420 -1.510) 2.327 5.897 ( 1.397 -5.910 -0.707) 6.113 5.933 ( -2.483 -5.488 -0.330) 6.032 6.138 ( 0.367 -5.276 -0.317) 5.298 6.204 ( -0.365 -4.500 0.633) 4.559 ======================= Grid point 20 (13/91) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 0.000 11.580 0.000) 11.580 1.548 ( 0.000 12.835 0.000) 12.835 1.665 ( 0.000 2.381 0.000) 2.381 1.700 ( 0.000 6.040 0.000) 6.040 1.812 ( 0.000 2.425 0.000) 2.425 1.847 ( 0.000 0.471 0.000) 0.471 1.896 ( 0.000 0.621 0.000) 0.621 1.973 ( 0.000 6.559 0.000) 6.559 2.055 ( 0.000 2.878 0.000) 2.878 2.096 ( 0.000 5.376 0.000) 5.376 2.214 ( 0.000 -2.536 0.000) 2.536 2.291 ( 0.000 1.601 0.000) 1.601 2.330 ( 0.000 -2.558 0.000) 2.558 2.374 ( 0.000 1.763 0.000) 1.763 2.508 ( 0.000 -1.478 0.000) 1.478 2.616 ( 0.000 8.907 0.000) 8.907 2.743 ( 0.000 3.353 0.000) 3.353 2.886 ( 0.000 -8.904 0.000) 8.904 3.118 ( 0.000 12.577 0.000) 12.577 3.197 ( 0.000 5.357 0.000) 5.357 3.344 ( 0.000 4.630 0.000) 4.630 3.388 ( 0.000 8.033 0.000) 8.033 3.389 ( 0.000 5.372 0.000) 5.372 3.474 ( 0.000 5.045 0.000) 5.045 3.520 ( 0.000 -2.851 0.000) 2.851 3.656 ( 0.000 3.778 0.000) 3.778 3.804 ( 0.000 3.027 0.000) 3.027 3.863 ( 0.000 4.090 0.000) 4.090 3.996 ( 0.000 -1.367 0.000) 1.367 4.015 ( 0.000 -0.891 0.000) 0.891 4.082 ( 0.000 2.885 0.000) 2.885 4.125 ( 0.000 2.488 0.000) 2.488 4.213 ( 0.000 -2.159 0.000) 2.159 4.337 ( 0.000 -2.292 0.000) 2.292 4.338 ( 0.000 -2.196 0.000) 2.196 4.356 ( 0.000 -0.614 0.000) 0.614 4.440 ( 0.000 1.331 0.000) 1.331 4.457 ( 0.000 1.007 0.000) 1.007 4.502 ( 0.000 1.604 0.000) 1.604 4.512 ( 0.000 -0.064 0.000) 0.064 4.572 ( 0.000 1.391 0.000) 1.391 4.591 ( 0.000 3.231 0.000) 3.231 4.714 ( 0.000 3.166 0.000) 3.166 4.724 ( 0.000 0.315 0.000) 0.315 4.795 ( 0.000 0.217 0.000) 0.217 4.799 ( 0.000 1.469 0.000) 1.469 4.826 ( 0.000 -0.096 0.000) 0.096 4.891 ( 0.000 0.703 0.000) 0.703 4.998 ( 0.000 -2.626 0.000) 2.626 5.165 ( 0.000 2.421 0.000) 2.421 5.188 ( 0.000 -0.461 0.000) 0.461 5.207 ( 0.000 -2.440 0.000) 2.440 5.378 ( 0.000 -0.556 0.000) 0.556 5.430 ( 0.000 3.482 0.000) 3.482 5.569 ( 0.000 0.585 0.000) 0.585 5.600 ( 0.000 -5.753 0.000) 5.753 5.754 ( 0.000 -4.433 0.000) 4.433 5.884 ( 0.000 -7.030 0.000) 7.030 6.075 ( 0.000 -1.604 0.000) 1.604 6.125 ( 0.000 -3.046 0.000) 3.046 ======================= Grid point 21 (14/91) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 151 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 5.472 10.258 -1.043) 11.673 1.537 ( -0.820 11.612 0.104) 11.642 1.657 ( 0.473 5.828 -2.920) 6.536 1.686 ( -0.914 3.803 -1.536) 4.202 1.788 ( -2.223 1.959 1.239) 3.212 1.875 ( -0.106 0.874 3.846) 3.946 1.898 ( -1.603 4.313 -1.226) 4.762 1.977 ( 1.826 4.275 -1.741) 4.964 2.036 ( -0.937 1.152 1.243) 1.937 2.113 ( 1.490 3.467 0.106) 3.775 2.195 ( -3.371 3.417 7.441) 8.855 2.267 ( 0.577 1.497 -8.524) 8.673 2.325 ( -3.291 -1.835 8.576) 9.367 2.386 ( 3.052 -1.719 -4.632) 5.808 2.557 ( 3.213 -3.161 -2.453) 5.131 2.614 ( 0.295 7.984 1.018) 8.054 2.716 ( -1.976 3.416 0.375) 3.964 2.891 ( -0.226 -6.296 -0.268) 6.306 3.131 ( 0.752 12.582 2.189) 12.793 3.173 ( -1.375 3.821 0.040) 4.062 3.324 ( -2.856 2.027 0.001) 3.503 3.366 ( -1.659 9.666 -0.166) 9.809 3.437 ( 4.218 7.011 -0.734) 8.215 3.472 ( 0.184 2.754 -0.769) 2.865 3.515 ( -0.335 -1.443 0.787) 1.678 3.645 ( -0.220 4.847 -3.471) 5.965 3.813 ( 0.830 4.032 0.256) 4.124 3.859 ( -1.097 4.538 2.216) 5.168 3.992 ( 0.498 -0.414 -0.543) 0.845 4.037 ( 1.063 -0.640 -0.036) 1.241 4.077 ( 0.809 1.617 -1.032) 2.082 4.138 ( 0.191 2.295 2.037) 3.075 4.230 ( 0.902 -2.168 1.354) 2.710 4.291 ( -2.783 -2.700 -1.525) 4.166 4.327 ( -1.137 -0.466 -0.121) 1.235 4.374 ( 0.909 -1.767 1.098) 2.270 4.427 ( -1.076 0.481 -0.127) 1.186 4.452 ( -0.355 0.731 -1.229) 1.473 4.482 ( -1.301 1.342 0.431) 1.918 4.541 ( 1.441 0.764 -0.578) 1.731 4.579 ( -0.813 2.778 1.021) 3.070 4.587 ( 1.355 1.256 -0.991) 2.097 4.685 ( -2.071 0.909 -0.673) 2.360 4.722 ( -1.708 0.095 2.364) 2.918 4.768 ( 0.821 3.544 0.716) 3.707 4.819 ( 0.030 -0.159 -0.674) 0.693 4.892 ( 5.718 0.809 -1.483) 5.963 4.914 ( 2.766 1.283 -0.480) 3.086 5.000 ( 0.160 -2.602 -0.011) 2.607 5.157 ( -0.806 2.397 -0.146) 2.533 5.174 ( -1.558 -1.051 0.819) 2.050 5.216 ( 1.030 -2.329 -0.475) 2.590 5.367 ( -2.454 -0.377 0.484) 2.530 5.426 ( -0.199 2.424 2.379) 3.402 5.541 ( -2.452 -1.409 0.534) 2.878 5.625 ( 3.156 -2.723 -3.055) 5.169 5.767 ( 0.915 -4.545 0.670) 4.684 5.860 ( -2.335 -6.654 -0.562) 7.074 6.074 ( 0.061 -1.637 -0.755) 1.804 6.124 ( -0.185 -3.023 0.518) 3.073 ======================= Grid point 22 (15/91) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 151 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 4.932 7.691 -2.679) 9.521 1.535 ( 0.616 8.976 2.429) 9.319 1.644 ( -0.002 6.272 -1.631) 6.480 1.675 ( 0.647 3.932 -1.384) 4.218 1.754 ( -1.740 3.842 0.811) 4.295 1.791 ( -6.166 7.748 0.019) 9.902 1.917 ( 0.491 2.897 3.450) 4.532 1.962 ( -0.571 0.229 -3.360) 3.416 2.092 ( 3.547 1.338 2.328) 4.449 2.135 ( 1.092 3.181 -0.992) 3.506 2.193 ( -1.009 6.906 2.298) 7.348 2.229 ( -1.302 0.651 -2.578) 2.961 2.316 ( -1.354 -0.988 4.361) 4.672 2.429 ( 3.398 -4.617 -0.754) 5.782 2.538 ( -2.653 -3.168 -2.603) 4.884 2.611 ( -0.020 2.448 -1.911) 3.105 2.735 ( 1.352 5.782 3.226) 6.758 2.869 ( -0.973 -2.630 -1.382) 3.127 3.164 ( -0.136 4.452 0.473) 4.479 3.168 ( 1.644 10.823 1.582) 11.061 3.262 ( -2.837 1.031 -0.953) 3.166 3.342 ( -0.887 10.526 0.220) 10.565 3.463 ( 0.115 -3.393 -0.542) 3.438 3.507 ( 1.730 6.325 0.730) 6.598 3.522 ( 1.390 3.664 0.173) 3.923 3.607 ( -1.441 6.332 -2.910) 7.116 3.821 ( -0.476 3.511 1.007) 3.684 3.861 ( 0.345 7.434 0.496) 7.459 4.004 ( 0.727 0.611 -0.086) 0.954 4.042 ( 0.196 0.891 -0.405) 0.998 4.090 ( 0.203 -0.826 -0.666) 1.081 4.156 ( 0.693 1.355 1.865) 2.407 4.242 ( -1.330 -2.440 -1.026) 2.962 4.246 ( 0.232 -0.997 0.644) 1.209 4.326 ( 0.498 -1.102 0.855) 1.481 4.388 ( -1.784 -0.467 -0.508) 1.913 4.398 ( 0.507 -1.249 0.954) 1.652 4.426 ( -1.584 -1.033 -0.969) 2.125 4.477 ( 0.556 0.436 -0.706) 0.998 4.548 ( 0.066 3.390 -0.285) 3.403 4.569 ( -0.384 2.926 0.237) 2.961 4.608 ( 0.849 -0.226 -0.353) 0.946 4.658 ( -0.686 1.253 -0.098) 1.432 4.704 ( -1.049 -0.670 1.159) 1.701 4.799 ( 0.831 2.747 0.729) 2.962 4.820 ( 0.641 1.110 -0.105) 1.286 4.927 ( 0.824 2.261 -1.123) 2.656 4.993 ( 1.248 -2.741 0.195) 3.018 5.018 ( 4.536 1.647 -0.993) 4.926 5.122 ( -2.453 1.491 -1.073) 3.064 5.166 ( 0.010 -3.078 1.341) 3.358 5.230 ( 0.201 -0.806 0.261) 0.871 5.306 ( -3.347 -0.372 0.901) 3.486 5.456 ( 1.264 0.524 2.757) 3.078 5.498 ( -1.696 -0.467 -2.295) 2.891 5.667 ( 2.700 -1.331 -1.331) 3.292 5.774 ( -1.342 -5.640 1.108) 5.902 5.818 ( -0.839 -5.353 -0.864) 5.487 6.069 ( -0.047 -1.775 -0.439) 1.829 6.126 ( -0.006 -2.994 0.330) 3.012 ======================= Grid point 25 (16/91) ======================= q-point: ( 0.00 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 0.000 7.322 0.000) 7.322 1.677 ( 0.000 -0.882 0.000) 0.882 1.715 ( 0.000 0.914 0.000) 0.914 1.794 ( 0.000 -4.036 0.000) 4.036 1.821 ( 0.000 7.355 0.000) 7.355 1.856 ( 0.000 3.655 0.000) 3.655 1.925 ( 0.000 1.622 0.000) 1.622 2.049 ( 0.000 -0.779 0.000) 0.779 2.117 ( 0.000 2.200 0.000) 2.200 2.134 ( 0.000 0.178 0.000) 0.178 2.205 ( 0.000 2.130 0.000) 2.130 2.296 ( 0.000 1.412 0.000) 1.412 2.360 ( 0.000 1.449 0.000) 1.449 2.381 ( 0.000 -0.984 0.000) 0.984 2.462 ( 0.000 -1.349 0.000) 1.349 2.597 ( 0.000 -9.445 0.000) 9.445 2.797 ( 0.000 2.122 0.000) 2.122 2.817 ( 0.000 2.595 0.000) 2.595 3.235 ( 0.000 0.978 0.000) 0.978 3.257 ( 0.000 0.828 0.000) 0.828 3.439 ( 0.000 1.701 0.000) 1.701 3.453 ( 0.000 0.475 0.000) 0.475 3.509 ( 0.000 3.730 0.000) 3.730 3.588 ( 0.000 3.988 0.000) 3.988 3.608 ( 0.000 11.104 0.000) 11.104 3.706 ( 0.000 1.030 0.000) 1.030 3.881 ( 0.000 4.072 0.000) 4.072 3.933 ( 0.000 1.976 0.000) 1.976 3.990 ( 0.000 0.500 0.000) 0.500 3.996 ( 0.000 -0.897 0.000) 0.897 4.152 ( 0.000 2.209 0.000) 2.209 4.173 ( 0.000 -1.475 0.000) 1.475 4.183 ( 0.000 3.073 0.000) 3.073 4.285 ( 0.000 -2.263 0.000) 2.263 4.302 ( 0.000 -0.052 0.000) 0.052 4.364 ( 0.000 1.108 0.000) 1.108 4.472 ( 0.000 0.727 0.000) 0.727 4.497 ( 0.000 2.538 0.000) 2.538 4.519 ( 0.000 0.728 0.000) 0.728 4.532 ( 0.000 1.921 0.000) 1.921 4.582 ( 0.000 -0.075 0.000) 0.075 4.656 ( 0.000 2.726 0.000) 2.726 4.710 ( 0.000 -1.794 0.000) 1.794 4.732 ( 0.000 -1.021 0.000) 1.021 4.818 ( 0.000 1.447 0.000) 1.447 4.824 ( 0.000 0.553 0.000) 0.553 4.845 ( 0.000 1.825 0.000) 1.825 4.900 ( 0.000 -0.057 0.000) 0.057 4.976 ( 0.000 1.658 0.000) 1.658 5.128 ( 0.000 -2.650 0.000) 2.650 5.180 ( 0.000 -0.058 0.000) 0.058 5.220 ( 0.000 0.355 0.000) 0.355 5.355 ( 0.000 -1.546 0.000) 1.546 5.454 ( 0.000 -7.638 0.000) 7.638 5.507 ( 0.000 3.970 0.000) 3.970 5.595 ( 0.000 1.929 0.000) 1.929 5.673 ( 0.000 -3.724 0.000) 3.724 5.749 ( 0.000 -5.764 0.000) 5.764 6.057 ( 0.000 -0.329 0.000) 0.329 6.078 ( 0.000 -1.534 0.000) 1.534 ======================= Grid point 26 (17/91) ======================= q-point: ( 0.20 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 3.036 6.491 -1.201) 7.266 1.670 ( -0.572 0.640 -0.350) 0.927 1.720 ( 0.566 -0.019 -0.549) 0.789 1.770 ( -0.634 2.653 -3.188) 4.195 1.835 ( 0.015 1.975 1.798) 2.670 1.853 ( 0.161 2.925 1.486) 3.285 1.962 ( 2.723 1.259 -1.224) 3.240 2.014 ( -2.655 -0.708 -1.441) 3.103 2.072 ( -3.332 2.174 3.687) 5.424 2.154 ( -0.894 0.822 4.591) 4.749 2.228 ( 0.935 -0.377 3.546) 3.687 2.285 ( -1.597 0.495 0.987) 1.941 2.320 ( -0.760 1.669 -5.589) 5.882 2.392 ( 0.009 0.538 -1.493) 1.587 2.472 ( 1.225 -3.146 -1.810) 3.831 2.580 ( -0.700 -7.546 -3.481) 8.340 2.799 ( -0.105 3.891 4.433) 5.900 2.852 ( 2.187 1.346 2.211) 3.389 3.209 ( -1.968 0.935 -0.835) 2.333 3.262 ( 0.547 0.730 -0.162) 0.926 3.439 ( -0.771 -0.010 -1.876) 2.028 3.449 ( -1.774 6.692 0.215) 6.926 3.479 ( -0.134 0.670 -0.381) 0.783 3.551 ( -1.658 3.413 -0.749) 3.868 3.661 ( 2.778 9.567 2.129) 10.187 3.729 ( 2.316 3.264 -1.800) 4.388 3.885 ( 0.203 2.564 -0.703) 2.667 3.936 ( -0.092 2.227 2.234) 3.156 4.001 ( 1.165 0.362 -0.070) 1.222 4.013 ( 1.726 -0.825 0.735) 2.050 4.136 ( -0.078 2.349 -3.456) 4.179 4.184 ( -0.026 -1.508 2.092) 2.579 4.193 ( 0.500 2.196 1.284) 2.592 4.265 ( -1.377 0.203 -1.554) 2.086 4.300 ( -0.564 -1.190 0.445) 1.390 4.347 ( -0.752 -0.278 0.404) 0.898 4.447 ( -2.430 0.389 -0.573) 2.527 4.485 ( -2.792 3.068 1.466) 4.400 4.496 ( -0.747 0.147 -0.382) 0.852 4.572 ( 3.121 2.482 -0.499) 4.019 4.597 ( 1.415 -0.022 0.088) 1.418 4.648 ( -0.616 2.612 -1.022) 2.871 4.689 ( -0.798 -0.099 -0.559) 0.979 4.719 ( -1.554 -0.254 1.049) 1.892 4.830 ( 0.858 1.870 1.241) 2.403 4.840 ( 0.182 1.998 -0.218) 2.018 4.882 ( 3.520 -1.502 1.098) 3.982 4.926 ( 3.266 -0.561 0.043) 3.314 4.981 ( 1.033 1.880 -1.821) 2.814 5.135 ( -0.153 -2.038 1.730) 2.678 5.161 ( -1.234 -0.578 -1.816) 2.270 5.211 ( -0.870 -0.235 -0.567) 1.065 5.349 ( -1.559 -1.409 0.614) 2.190 5.408 ( -3.206 -4.894 1.491) 6.038 5.531 ( 1.645 2.301 -1.236) 3.087 5.608 ( 1.624 0.915 -0.512) 1.933 5.683 ( 0.725 -3.812 0.431) 3.904 5.734 ( -1.470 -5.257 -0.186) 5.462 6.055 ( -0.114 -0.332 -0.296) 0.459 6.078 ( -0.058 -1.533 0.135) 1.540 ======================= Grid point 27 (18/91) ======================= q-point: ( 0.40 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 2.579 4.163 -0.870) 4.974 1.656 ( -0.887 2.248 -0.162) 2.422 1.725 ( 0.259 -0.070 -0.156) 0.310 1.746 ( -0.292 4.888 -1.471) 5.113 1.848 ( 1.122 4.467 0.047) 4.606 1.876 ( 0.888 -1.707 1.083) 2.208 1.941 ( -3.080 5.466 0.904) 6.339 1.968 ( -1.017 -0.892 -2.348) 2.710 2.100 ( 2.204 -0.379 3.539) 4.187 2.162 ( -0.415 -0.732 2.037) 2.204 2.251 ( -2.705 -3.171 4.497) 6.131 2.266 ( -0.806 -1.231 -0.872) 1.711 2.274 ( 0.441 2.646 -2.149) 3.437 2.381 ( 1.123 -0.126 -3.677) 3.847 2.458 ( -1.309 -1.866 -1.293) 2.621 2.548 ( -0.502 -5.001 -1.202) 5.168 2.853 ( 1.936 4.353 4.498) 6.552 2.888 ( 0.675 2.511 -0.794) 2.719 3.179 ( -0.822 0.695 -0.008) 1.076 3.260 ( -0.187 -1.113 -1.238) 1.675 3.402 ( -1.533 1.052 1.022) 2.121 3.429 ( -0.269 7.322 -0.900) 7.382 3.491 ( 1.014 3.140 -0.704) 3.374 3.522 ( -1.224 0.502 -0.570) 1.440 3.712 ( 1.271 6.497 1.881) 6.882 3.747 ( 0.926 7.918 -1.816) 8.176 3.869 ( -1.315 0.998 0.683) 1.787 3.960 ( 1.244 2.189 0.110) 2.520 4.018 ( 0.549 -0.354 0.025) 0.654 4.059 ( 1.869 -0.456 1.374) 2.364 4.114 ( -0.190 2.446 -2.635) 3.600 4.187 ( -0.486 -1.525 0.701) 1.748 4.209 ( 0.386 0.798 0.790) 1.187 4.235 ( -0.740 1.832 -0.694) 2.094 4.305 ( 0.878 -0.363 0.548) 1.097 4.356 ( 0.565 -1.659 1.816) 2.523 4.396 ( -1.814 -0.204 -1.146) 2.156 4.419 ( -3.645 0.381 -0.627) 3.718 4.499 ( 0.285 2.771 -0.020) 2.785 4.609 ( 1.046 2.406 0.002) 2.623 4.618 ( 0.559 0.308 0.211) 0.672 4.632 ( -0.211 2.582 -1.044) 2.793 4.683 ( 0.120 1.496 -0.229) 1.518 4.701 ( -0.962 0.490 0.972) 1.453 4.827 ( -0.365 1.376 -0.019) 1.424 4.875 ( 1.669 3.108 1.158) 3.713 4.924 ( 0.905 -2.717 0.474) 2.903 4.975 ( 0.622 2.086 -1.744) 2.789 5.030 ( 6.460 -1.200 -0.129) 6.571 5.118 ( -1.811 -0.898 0.867) 2.200 5.131 ( -3.376 -0.575 0.113) 3.427 5.184 ( -0.664 -4.238 -1.120) 4.434 5.307 ( -2.046 0.270 0.806) 2.215 5.393 ( -0.038 -4.007 0.235) 4.014 5.543 ( 0.443 2.951 -0.452) 3.018 5.642 ( 2.377 -0.794 -0.660) 2.591 5.683 ( -1.942 -3.080 0.924) 3.757 5.713 ( -0.010 -4.814 -0.427) 4.833 6.050 ( -0.134 -0.251 -0.196) 0.346 6.079 ( 0.025 -1.618 0.098) 1.621 ======================= Grid point 30 (19/91) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 0.000 -1.766 0.000) 1.766 1.652 ( 0.000 1.766 0.000) 1.766 1.719 ( 0.000 -2.425 0.000) 2.425 1.719 ( 0.000 2.425 0.000) 2.425 1.929 ( 0.000 -2.062 0.000) 2.062 1.929 ( 0.000 2.062 0.000) 2.062 1.965 ( 0.000 -5.607 0.000) 5.607 1.965 ( 0.000 5.607 0.000) 5.607 2.142 ( 0.000 -0.589 0.000) 0.589 2.142 ( 0.000 0.589 0.000) 0.589 2.274 ( 0.000 -3.347 0.000) 3.347 2.274 ( 0.000 3.347 0.000) 3.347 2.369 ( 0.000 -0.151 0.000) 0.151 2.369 ( 0.000 0.151 0.000) 0.151 2.463 ( 0.000 -2.131 0.000) 2.131 2.463 ( 0.000 2.131 0.000) 2.131 2.835 ( 0.000 -0.791 0.000) 0.791 2.835 ( 0.000 0.791 0.000) 0.791 3.252 ( 0.000 -0.838 0.000) 0.838 3.252 ( 0.000 0.838 0.000) 0.838 3.451 ( 0.000 -0.306 0.000) 0.306 3.451 ( 0.000 0.306 0.000) 0.306 3.593 ( 0.000 -3.025 0.000) 3.025 3.593 ( 0.000 3.025 0.000) 3.025 3.724 ( 0.000 -0.329 0.000) 0.329 3.724 ( 0.000 0.329 0.000) 0.329 3.946 ( 0.000 -0.979 0.000) 0.979 3.946 ( 0.000 0.979 0.000) 0.979 3.988 ( 0.000 -0.535 0.000) 0.535 3.988 ( 0.000 0.535 0.000) 0.535 4.157 ( 0.000 -0.231 0.000) 0.231 4.157 ( 0.000 0.231 0.000) 0.231 4.243 ( 0.000 -2.294 0.000) 2.294 4.243 ( 0.000 2.294 0.000) 2.294 4.355 ( 0.000 -3.153 0.000) 3.153 4.355 ( 0.000 3.153 0.000) 3.153 4.488 ( 0.000 -1.106 0.000) 1.106 4.488 ( 0.000 1.106 0.000) 1.106 4.543 ( 0.000 -1.335 0.000) 1.335 4.543 ( 0.000 1.335 0.000) 1.335 4.639 ( 0.000 -4.353 0.000) 4.353 4.639 ( 0.000 4.353 0.000) 4.353 4.704 ( 0.000 -1.511 0.000) 1.511 4.704 ( 0.000 1.511 0.000) 1.511 4.830 ( 0.000 -0.083 0.000) 0.083 4.830 ( 0.000 0.083 0.000) 0.083 4.882 ( 0.000 -1.471 0.000) 1.471 4.882 ( 0.000 1.471 0.000) 1.471 5.060 ( 0.000 -4.540 0.000) 4.540 5.060 ( 0.000 4.540 0.000) 4.540 5.200 ( 0.000 -1.888 0.000) 1.888 5.200 ( 0.000 1.888 0.000) 1.888 5.343 ( 0.000 -1.740 0.000) 1.740 5.343 ( 0.000 1.740 0.000) 1.740 5.592 ( 0.000 -4.121 0.000) 4.121 5.592 ( 0.000 4.121 0.000) 4.121 5.652 ( 0.000 -3.624 0.000) 3.624 5.652 ( 0.000 3.624 0.000) 3.624 6.058 ( 0.000 -0.485 0.000) 0.485 6.058 ( 0.000 0.485 0.000) 0.485 ======================= Grid point 32 (20/91) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 1.607 -1.262 -1.279) 2.411 1.664 ( 1.607 1.262 -1.279) 2.411 1.722 ( 0.241 -2.773 0.209) 2.792 1.722 ( 0.241 2.773 0.209) 2.792 1.934 ( 0.582 -2.007 -1.374) 2.501 1.934 ( 0.582 2.007 -1.374) 2.501 1.957 ( -0.524 -3.076 0.549) 3.168 1.957 ( -0.524 3.076 0.549) 3.168 2.122 ( -3.627 -2.641 5.645) 7.211 2.122 ( -3.627 2.641 5.645) 7.211 2.255 ( -1.102 -2.286 -1.782) 3.101 2.255 ( -1.102 2.286 -1.782) 3.101 2.369 ( 0.573 -2.617 -3.330) 4.274 2.369 ( 0.573 2.617 -3.330) 4.274 2.469 ( 0.456 -2.694 -0.277) 2.746 2.469 ( 0.456 2.694 -0.277) 2.746 2.855 ( 1.194 -1.373 3.706) 4.128 2.855 ( 1.194 1.373 3.706) 4.128 3.239 ( -0.916 -1.882 -1.396) 2.516 3.239 ( -0.916 1.882 -1.396) 2.516 3.459 ( 0.907 -1.406 -1.344) 2.147 3.459 ( 0.907 1.406 -1.344) 2.147 3.559 ( -2.326 -2.809 -0.027) 3.647 3.559 ( -2.326 2.809 -0.027) 3.647 3.763 ( 2.712 -1.710 0.577) 3.258 3.763 ( 2.712 1.710 0.577) 3.258 3.940 ( -0.638 -2.351 0.563) 2.500 3.940 ( -0.638 2.351 0.563) 2.500 4.003 ( 1.735 -1.128 -0.018) 2.069 4.003 ( 1.735 1.128 -0.018) 2.069 4.151 ( -0.545 -0.473 -0.760) 1.048 4.151 ( -0.545 0.473 -0.760) 1.048 4.246 ( 0.361 -2.089 0.381) 2.154 4.246 ( 0.361 2.089 0.381) 2.154 4.332 ( -1.364 -2.214 -0.745) 2.705 4.332 ( -1.364 2.214 -0.745) 2.705 4.462 ( -2.986 -1.622 0.659) 3.462 4.462 ( -2.986 1.622 0.659) 3.462 4.566 ( 1.109 -2.714 1.682) 3.380 4.566 ( 1.109 2.714 1.682) 3.380 4.635 ( 0.684 -2.678 -1.993) 3.407 4.635 ( 0.684 2.678 -1.993) 3.407 4.710 ( 0.350 -0.946 0.036) 1.009 4.710 ( 0.350 0.946 0.036) 1.009 4.852 ( 1.118 -1.021 1.607) 2.208 4.852 ( 1.118 1.021 1.607) 2.208 4.890 ( 1.638 -2.436 0.441) 2.968 4.890 ( 1.638 2.436 0.441) 2.968 5.070 ( 1.465 -4.865 -1.778) 5.383 5.070 ( 1.465 4.865 -1.778) 5.383 5.175 ( -2.715 -2.163 -0.529) 3.511 5.175 ( -2.715 2.163 -0.529) 3.511 5.334 ( -0.977 -0.948 0.865) 1.613 5.334 ( -0.977 0.948 0.865) 1.613 5.602 ( 0.986 -3.973 -0.232) 4.100 5.602 ( 0.986 3.973 -0.232) 4.100 5.649 ( -0.287 -2.943 0.066) 2.958 5.649 ( -0.287 2.943 0.066) 2.958 6.057 ( -0.094 -0.529 -0.058) 0.540 6.057 ( -0.094 0.529 -0.058) 0.540 ======================= Grid point 34 (21/91) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 0.987 -1.132 -0.825) 1.713 1.683 ( 0.987 1.132 -0.825) 1.713 1.727 ( 0.121 -3.020 0.169) 3.028 1.727 ( 0.121 3.020 0.169) 3.028 1.919 ( -0.788 -3.747 -0.469) 3.857 1.919 ( -0.788 3.747 -0.469) 3.857 1.973 ( 1.634 -4.294 -1.302) 4.775 1.973 ( 1.634 4.294 -1.302) 4.775 2.101 ( -2.473 -2.353 5.474) 6.452 2.101 ( -2.473 2.353 5.474) 6.452 2.224 ( -0.813 -1.461 -1.754) 2.423 2.224 ( -0.813 1.461 -1.754) 2.423 2.350 ( -0.220 -3.154 -2.036) 3.760 2.350 ( -0.220 3.154 -2.036) 3.760 2.472 ( 0.104 -2.326 -0.058) 2.329 2.472 ( 0.104 2.326 -0.058) 2.329 2.908 ( 1.666 -0.945 2.394) 3.066 2.908 ( 1.666 0.945 2.394) 3.066 3.209 ( -1.041 -2.357 -1.253) 2.865 3.209 ( -1.041 2.357 -1.253) 2.865 3.460 ( 0.091 -3.126 -0.672) 3.198 3.460 ( 0.092 3.126 -0.672) 3.198 3.534 ( -0.570 -1.873 -0.149) 1.963 3.534 ( -0.570 1.873 -0.149) 1.963 3.795 ( 0.441 -2.798 0.584) 2.893 3.795 ( 0.441 2.798 0.584) 2.893 3.942 ( 0.448 -4.491 0.183) 4.517 3.942 ( 0.448 4.491 0.183) 4.517 4.036 ( 1.350 -1.866 0.064) 2.304 4.036 ( 1.350 1.866 0.064) 2.304 4.131 ( -0.779 -1.175 -0.683) 1.566 4.131 ( -0.779 1.175 -0.683) 1.566 4.254 ( 0.127 -1.109 -0.096) 1.120 4.254 ( 0.127 1.109 -0.096) 1.120 4.328 ( 1.076 -1.515 0.586) 1.948 4.328 ( 1.076 1.515 0.586) 1.949 4.402 ( -3.355 -1.209 -0.131) 3.569 4.402 ( -3.355 1.209 -0.131) 3.569 4.586 ( 0.427 -3.823 0.322) 3.860 4.586 ( 0.427 3.823 0.322) 3.860 4.639 ( 0.349 -0.740 -0.403) 0.913 4.639 ( 0.349 0.740 -0.403) 0.913 4.714 ( 0.114 -0.136 0.023) 0.179 4.714 ( 0.114 0.136 0.023) 0.179 4.866 ( 0.171 -2.557 0.314) 2.582 4.866 ( 0.171 2.557 0.314) 2.582 4.962 ( 4.734 -4.488 1.844) 6.779 4.962 ( 4.734 4.488 1.844) 6.779 5.062 ( -2.238 -6.020 -2.813) 7.012 5.062 ( -2.238 6.021 -2.813) 7.012 5.118 ( -1.845 -0.560 0.405) 1.970 5.118 ( -1.845 0.560 0.405) 1.970 5.328 ( -0.221 -1.998 0.435) 2.056 5.328 ( -0.221 1.998 0.435) 2.056 5.616 ( 0.483 -4.041 -0.114) 4.071 5.616 ( 0.483 4.041 -0.114) 4.071 5.645 ( -0.160 -1.111 0.033) 1.123 5.645 ( -0.160 1.111 0.033) 1.123 6.055 ( -0.058 -0.688 -0.035) 0.692 6.055 ( -0.058 0.688 -0.035) 0.692 ======================= Grid point 65 (22/91) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( 4.612 0.000 19.622) 20.157 0.369 ( -0.800 0.000 19.639) 19.655 0.711 ( -3.513 0.000 38.613) 38.772 0.978 ( -0.045 0.000 -1.625) 1.626 1.295 ( -0.130 0.000 -8.773) 8.774 1.308 ( -5.348 0.000 -15.499) 16.395 1.412 ( -4.586 0.000 -10.093) 11.087 1.562 ( -1.666 0.000 4.710) 4.996 1.683 ( 2.161 0.000 -0.299) 2.182 1.714 ( -0.415 0.000 -0.125) 0.434 1.759 ( 3.690 0.000 0.220) 3.696 1.885 ( 9.480 0.000 7.562) 12.126 2.017 ( 1.549 0.000 4.961) 5.197 2.088 ( 1.181 0.000 -3.321) 3.525 2.270 ( -0.857 0.000 2.307) 2.461 2.306 ( 2.416 0.000 -9.876) 10.168 2.476 ( -10.345 0.000 0.064) 10.345 2.630 ( 0.718 0.000 -19.876) 19.889 2.865 ( 3.947 0.000 -2.008) 4.428 3.002 ( 3.350 0.000 -3.116) 4.575 3.040 ( -1.209 0.000 -0.012) 1.210 3.286 ( -0.226 0.000 9.537) 9.539 3.357 ( 3.024 0.000 -0.781) 3.123 3.641 ( -2.622 0.000 5.023) 5.666 3.720 ( -4.800 0.000 6.860) 8.372 3.736 ( 0.109 0.000 2.282) 2.285 3.809 ( -0.462 0.000 1.874) 1.930 3.917 ( 3.097 0.000 2.003) 3.689 3.925 ( -0.200 0.000 -1.588) 1.601 3.972 ( 0.700 0.000 -2.865) 2.949 3.979 ( -0.088 0.000 1.305) 1.307 4.027 ( -0.017 0.000 -0.057) 0.059 4.083 ( 0.460 0.000 -0.137) 0.480 4.120 ( -2.865 0.000 -2.148) 3.580 4.122 ( 0.896 0.000 -3.084) 3.212 4.228 ( -0.946 0.000 2.165) 2.363 4.315 ( 2.602 0.000 2.731) 3.772 4.334 ( 2.476 0.000 -0.106) 2.478 4.343 ( -2.184 0.000 -0.095) 2.186 4.400 ( 0.884 0.000 -1.024) 1.353 4.466 ( 7.434 0.000 0.600) 7.458 4.552 ( -0.353 0.000 -0.570) 0.670 4.556 ( 1.655 0.000 1.375) 2.152 4.595 ( 0.561 0.000 0.879) 1.043 4.638 ( -0.250 0.000 -0.334) 0.418 4.664 ( -6.206 0.000 -3.250) 7.005 4.725 ( 0.885 0.000 -1.468) 1.714 4.771 ( -2.721 0.000 -3.743) 4.627 4.995 ( -1.335 0.000 5.340) 5.504 5.131 ( -1.205 0.000 -0.680) 1.384 5.183 ( -4.151 0.000 3.375) 5.350 5.358 ( 2.514 0.000 0.870) 2.660 5.483 ( 12.981 0.000 -2.113) 13.151 5.569 ( -0.991 0.000 -1.315) 1.646 5.667 ( -1.733 0.000 -7.885) 8.073 5.716 ( 0.584 0.000 2.616) 2.680 5.915 ( -6.306 0.000 4.139) 7.543 6.168 ( 1.961 0.000 0.443) 2.010 6.554 ( -0.546 0.000 2.388) 2.450 6.801 ( -1.174 0.000 -3.099) 3.314 ======================= Grid point 66 (23/91) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 6.225 0.000 14.813) 16.068 0.603 ( 9.540 0.000 16.606) 19.151 0.965 ( -1.077 0.000 0.057) 1.078 1.093 ( 8.397 0.000 13.837) 16.186 1.131 ( 0.677 0.000 -3.825) 3.885 1.226 ( -0.102 0.000 -10.661) 10.661 1.300 ( 3.230 0.000 -0.985) 3.377 1.535 ( -3.928 0.000 3.873) 5.516 1.698 ( -0.186 0.000 -0.236) 0.300 1.731 ( 1.875 0.000 0.273) 1.895 1.771 ( 0.120 0.000 -5.226) 5.227 1.896 ( -11.737 0.000 -0.958) 11.776 2.095 ( 1.792 0.000 -3.617) 4.036 2.102 ( 2.745 0.000 3.696) 4.603 2.266 ( -1.239 0.000 2.521) 2.809 2.299 ( -2.512 0.000 3.325) 4.168 2.367 ( 4.570 0.000 -8.406) 9.568 2.468 ( -11.044 0.000 -7.912) 13.586 2.800 ( 1.874 0.000 -17.468) 17.568 2.988 ( -1.553 0.000 0.782) 1.739 3.155 ( 9.060 0.000 1.020) 9.117 3.351 ( -2.453 0.000 3.249) 4.072 3.412 ( 5.429 0.000 7.518) 9.273 3.610 ( -3.009 0.000 -1.047) 3.186 3.705 ( -2.026 0.000 8.110) 8.360 3.750 ( -1.289 0.000 1.600) 2.055 3.816 ( -0.179 0.000 2.022) 2.030 3.918 ( 0.464 0.000 -1.324) 1.403 3.959 ( 0.494 0.000 2.909) 2.951 3.986 ( 0.160 0.000 0.837) 0.852 3.989 ( 2.194 0.000 -1.638) 2.738 4.020 ( -0.628 0.000 -0.223) 0.666 4.054 ( -3.032 0.000 -2.240) 3.770 4.087 ( 0.173 0.000 0.074) 0.188 4.127 ( 1.594 0.000 -2.974) 3.374 4.225 ( -0.777 0.000 1.861) 2.017 4.288 ( -3.205 0.000 -3.131) 4.480 4.298 ( -2.365 0.000 0.071) 2.366 4.379 ( 2.173 0.000 -0.084) 2.175 4.415 ( -1.203 0.000 2.804) 3.051 4.448 ( -1.645 0.000 0.221) 1.660 4.545 ( -0.125 0.000 -0.252) 0.282 4.603 ( -0.527 0.000 -2.336) 2.395 4.610 ( 0.465 0.000 0.762) 0.893 4.629 ( -0.495 0.000 -0.514) 0.714 4.663 ( 3.496 0.000 -1.083) 3.660 4.721 ( -0.982 0.000 -0.301) 1.027 4.738 ( 3.966 0.000 -1.516) 4.246 4.967 ( -3.387 0.000 2.147) 4.010 5.112 ( -1.533 0.000 4.375) 4.636 5.178 ( 0.310 0.000 3.011) 3.027 5.405 ( 2.355 0.000 -1.808) 2.969 5.514 ( -2.376 0.000 -2.551) 3.486 5.526 ( -2.438 0.000 -2.125) 3.234 5.699 ( 3.717 0.000 -3.715) 5.255 5.773 ( 1.257 0.000 1.771) 2.172 5.910 ( 4.890 0.000 -1.449) 5.100 6.206 ( 1.809 0.000 0.414) 1.856 6.536 ( -3.766 0.000 3.293) 5.003 6.670 ( -7.576 0.000 1.753) 7.777 ======================= Grid point 67 (24/91) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -1.013 0.000 7.318) 7.388 0.871 ( 0.028 0.000 8.120) 8.120 0.943 ( -1.472 0.000 4.057) 4.316 0.945 ( 2.263 0.000 -1.803) 2.893 1.198 ( 5.042 0.000 -10.509) 11.656 1.260 ( 11.313 0.000 -6.178) 12.890 1.493 ( -3.208 0.000 4.398) 5.444 1.596 ( -6.430 0.000 -0.846) 6.486 1.695 ( 0.017 0.000 -0.516) 0.517 1.715 ( 4.637 0.000 3.624) 5.885 1.747 ( -0.096 0.000 -0.805) 0.811 1.796 ( 11.019 0.000 9.405) 14.487 1.945 ( -26.724 0.000 2.339) 26.826 2.105 ( 1.873 0.000 -3.620) 4.076 2.129 ( -3.217 0.000 -11.528) 11.968 2.260 ( -1.266 0.000 2.754) 3.032 2.321 ( -1.456 0.000 3.034) 3.366 2.544 ( 10.106 0.000 1.267) 10.185 2.771 ( 7.223 0.000 -20.426) 21.665 2.994 ( 0.005 0.000 6.401) 6.401 3.280 ( 2.788 0.000 -4.249) 5.082 3.307 ( -1.111 0.000 0.218) 1.132 3.476 ( -7.606 0.000 -3.319) 8.299 3.589 ( 3.997 0.000 10.823) 11.537 3.667 ( -5.778 0.000 -1.438) 5.954 3.761 ( 2.151 0.000 3.935) 4.485 3.822 ( -0.603 0.000 1.923) 2.015 3.926 ( 1.079 0.000 -0.593) 1.232 3.959 ( -1.543 0.000 0.920) 1.796 3.972 ( -2.005 0.000 1.962) 2.806 3.994 ( 0.366 0.000 0.241) 0.438 4.004 ( -0.973 0.000 -0.256) 1.006 4.059 ( 3.177 0.000 -1.437) 3.487 4.093 ( 0.301 0.000 -0.225) 0.376 4.132 ( 0.810 0.000 -2.319) 2.457 4.226 ( 0.043 0.000 0.999) 1.000 4.250 ( 0.503 0.000 -2.648) 2.696 4.265 ( -1.553 0.000 0.458) 1.619 4.389 ( -1.185 0.000 0.439) 1.264 4.406 ( 0.870 0.000 -0.005) 0.870 4.429 ( -1.616 0.000 0.488) 1.688 4.546 ( 0.181 0.000 0.223) 0.287 4.604 ( 1.208 0.000 -3.138) 3.362 4.609 ( -0.587 0.000 -0.793) 0.986 4.627 ( 0.327 0.000 0.627) 0.707 4.640 ( -2.391 0.000 -3.527) 4.262 4.700 ( -0.551 0.000 2.054) 2.127 4.849 ( 5.383 0.000 0.791) 5.441 4.939 ( -1.244 0.000 2.670) 2.946 5.128 ( -1.229 0.000 6.484) 6.599 5.186 ( -0.908 0.000 1.219) 1.520 5.404 ( 0.644 0.000 -4.968) 5.010 5.453 ( -3.096 0.000 -0.827) 3.205 5.505 ( 1.586 0.000 -1.215) 1.997 5.728 ( -1.810 0.000 6.115) 6.377 5.767 ( 0.240 0.000 -1.906) 1.921 6.002 ( 6.572 0.000 -5.727) 8.717 6.237 ( 2.197 0.000 -1.666) 2.757 6.474 ( -5.118 0.000 4.654) 6.918 6.585 ( -3.628 0.000 0.687) 3.692 ======================= Grid point 68 (25/91) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -12.466 0.000 5.513) 13.631 0.645 ( -16.062 0.000 1.036) 16.096 0.974 ( 0.992 0.000 2.317) 2.521 1.210 ( 9.699 0.000 6.371) 11.605 1.261 ( 7.189 0.000 -7.434) 10.342 1.386 ( -26.759 0.000 8.322) 28.023 1.463 ( 1.372 0.000 0.237) 1.392 1.490 ( -0.536 0.000 5.867) 5.891 1.499 ( 7.904 0.000 -7.948) 11.209 1.687 ( -0.260 0.000 -1.963) 1.980 1.694 ( 0.123 0.000 -8.938) 8.939 1.727 ( -0.929 0.000 -0.753) 1.195 2.006 ( -0.776 0.000 -7.202) 7.244 2.110 ( 1.009 0.000 -3.532) 3.673 2.237 ( 11.419 0.000 12.011) 16.573 2.258 ( -0.744 0.000 2.810) 2.907 2.319 ( 1.833 0.000 6.846) 7.087 2.710 ( 7.766 0.000 -3.489) 8.514 2.805 ( 9.668 0.000 -13.891) 16.925 3.056 ( 0.337 0.000 5.482) 5.493 3.134 ( -8.777 0.000 -7.621) 11.624 3.235 ( -6.519 0.000 -7.723) 10.107 3.446 ( 4.610 0.000 4.177) 6.221 3.542 ( -6.453 0.000 -2.173) 6.809 3.685 ( -1.263 0.000 13.246) 13.306 3.809 ( -1.169 0.000 1.600) 1.981 3.818 ( -1.066 0.000 1.720) 2.024 3.944 ( 0.912 0.000 -0.153) 0.924 3.947 ( -2.326 0.000 1.669) 2.863 3.976 ( 2.918 0.000 -1.803) 3.430 3.983 ( -1.136 0.000 0.031) 1.137 4.005 ( 0.786 0.000 -0.144) 0.800 4.088 ( -0.495 0.000 -0.604) 0.780 4.103 ( 3.227 0.000 0.686) 3.299 4.132 ( 0.731 0.000 -1.989) 2.119 4.239 ( -0.178 0.000 1.503) 1.513 4.249 ( 0.640 0.000 -2.403) 2.486 4.251 ( 0.624 0.000 -0.179) 0.649 4.362 ( -2.376 0.000 -2.386) 3.367 4.408 ( -0.717 0.000 0.029) 0.718 4.427 ( 0.936 0.000 1.212) 1.532 4.536 ( -2.698 0.000 -4.453) 5.206 4.553 ( 0.388 0.000 0.554) 0.677 4.593 ( -0.573 0.000 -0.875) 1.045 4.617 ( 0.931 0.000 -2.729) 2.884 4.636 ( 0.297 0.000 0.393) 0.493 4.740 ( 2.393 0.000 2.604) 3.537 4.901 ( -0.407 0.000 1.226) 1.292 4.957 ( 0.886 0.000 4.043) 4.139 5.110 ( -3.700 0.000 3.743) 5.263 5.184 ( -1.064 0.000 3.306) 3.473 5.385 ( 0.568 0.000 -5.329) 5.359 5.420 ( -0.187 0.000 -1.681) 1.691 5.542 ( 3.038 0.000 -0.617) 3.100 5.707 ( -4.029 0.000 6.837) 7.935 5.776 ( 1.274 0.000 -2.400) 2.717 6.063 ( 3.958 0.000 -4.468) 5.969 6.246 ( 0.962 0.000 -8.725) 8.778 6.448 ( -1.575 0.000 10.878) 10.992 6.543 ( -1.353 0.000 0.203) 1.368 ======================= Grid point 69 (26/91) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( -15.918 0.000 8.102) 17.861 0.396 ( -12.867 0.000 12.969) 18.269 0.856 ( -30.562 0.000 23.406) 38.495 0.986 ( 0.132 0.000 -0.818) 0.828 1.317 ( 3.520 0.000 -7.072) 7.900 1.434 ( 4.272 0.000 -10.831) 11.644 1.490 ( 0.607 0.000 -0.641) 0.883 1.535 ( 0.639 0.000 6.093) 6.126 1.649 ( 11.080 0.000 1.504) 11.182 1.666 ( 0.307 0.000 -2.553) 2.572 1.679 ( 4.041 0.000 -5.547) 6.863 1.719 ( -0.171 0.000 0.351) 0.390 1.990 ( 0.717 0.000 0.034) 0.717 2.098 ( 0.271 0.000 -3.461) 3.472 2.266 ( -0.402 0.000 2.522) 2.554 2.285 ( 1.093 0.000 1.856) 2.154 2.532 ( 5.159 0.000 5.062) 7.228 2.763 ( 3.297 0.000 -10.569) 11.071 2.810 ( -2.080 0.000 -15.488) 15.627 2.998 ( 4.179 0.000 0.936) 4.282 3.049 ( -5.310 0.000 -6.797) 8.625 3.196 ( 3.510 0.000 10.237) 10.823 3.408 ( -6.516 0.000 -3.466) 7.380 3.576 ( 4.976 0.000 6.162) 7.920 3.740 ( -2.694 0.000 11.231) 11.549 3.780 ( -1.243 0.000 3.483) 3.698 3.810 ( -0.928 0.000 1.739) 1.971 3.872 ( -4.717 0.000 -1.270) 4.885 3.942 ( -0.479 0.000 -1.454) 1.530 3.974 ( -0.355 0.000 1.438) 1.482 3.989 ( 0.397 0.000 -2.943) 2.970 4.020 ( 0.845 0.000 -0.165) 0.861 4.078 ( 0.100 0.000 -0.626) 0.634 4.129 ( 0.415 0.000 -2.403) 2.438 4.187 ( 1.989 0.000 -5.263) 5.626 4.233 ( -1.142 0.000 2.074) 2.368 4.240 ( 2.252 0.000 4.076) 4.657 4.286 ( 2.727 0.000 -0.388) 2.754 4.289 ( -2.025 0.000 0.170) 2.032 4.383 ( -1.958 0.000 0.031) 1.959 4.448 ( 0.515 0.000 -0.719) 0.885 4.516 ( 1.552 0.000 0.044) 1.552 4.560 ( -0.066 0.000 -0.065) 0.092 4.584 ( 0.112 0.000 0.069) 0.131 4.641 ( 0.075 0.000 0.020) 0.077 4.649 ( 4.178 0.000 -1.363) 4.394 4.781 ( 0.206 0.000 0.097) 0.228 4.858 ( -4.508 0.000 -1.060) 4.631 4.986 ( -1.906 0.000 6.071) 6.363 5.103 ( 2.755 0.000 0.193) 2.762 5.195 ( -0.577 0.000 5.737) 5.766 5.337 ( -1.917 0.000 -2.996) 3.557 5.409 ( -0.584 0.000 -1.663) 1.763 5.585 ( 1.606 0.000 -1.972) 2.543 5.688 ( -0.936 0.000 2.578) 2.743 5.764 ( -1.476 0.000 -2.660) 3.041 6.064 ( -3.089 0.000 -8.541) 9.083 6.156 ( -1.853 0.000 -4.718) 5.068 6.540 ( 0.297 0.000 1.286) 1.320 6.605 ( 10.632 0.000 14.291) 17.812 ======================= Grid point 70 (27/91) ======================= q-point: ( 0.00 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( 4.934 12.377 11.869) 17.844 0.534 ( -3.727 13.009 13.851) 19.364 1.045 ( -1.506 24.984 23.348) 34.229 1.114 ( -0.089 12.430 -0.678) 12.449 1.305 ( -5.320 0.832 -13.539) 14.570 1.340 ( -0.842 3.552 -7.967) 8.764 1.483 ( -1.643 6.654 -8.609) 11.004 1.620 ( 0.203 4.223 3.920) 5.766 1.744 ( 1.871 3.512 -1.768) 4.355 1.781 ( -0.538 5.910 0.289) 5.941 1.861 ( 4.839 8.876 1.354) 10.200 1.929 ( 3.956 6.095 3.682) 8.146 2.012 ( 1.146 0.053 4.723) 4.860 2.121 ( 0.991 2.779 -3.641) 4.687 2.292 ( 4.869 2.728 -5.327) 7.715 2.365 ( -0.847 4.720 -0.039) 4.795 2.500 ( -10.451 2.686 0.314) 10.795 2.657 ( -0.599 2.523 -14.617) 14.845 2.859 ( 5.464 -0.164 -2.048) 5.838 3.024 ( -2.023 1.701 -2.347) 3.534 3.038 ( 0.823 1.100 -1.953) 2.387 3.254 ( 1.439 -2.902 9.030) 9.593 3.332 ( 2.502 -1.368 -1.007) 3.024 3.564 ( -2.735 -6.337 3.961) 7.958 3.663 ( -1.219 -3.250 6.588) 7.446 3.714 ( -1.786 -1.496 1.955) 3.041 3.822 ( 0.262 -0.393 0.742) 0.880 3.843 ( 1.418 -2.486 1.909) 3.441 3.958 ( 0.366 1.461 -1.403) 2.058 4.025 ( -0.392 2.664 -1.944) 3.321 4.069 ( 0.593 2.945 1.182) 3.229 4.082 ( -0.743 1.031 -0.831) 1.518 4.119 ( 1.238 6.312 0.328) 6.441 4.124 ( 0.428 1.969 0.319) 2.040 4.203 ( 0.915 4.934 -3.392) 6.057 4.262 ( 1.049 2.686 -0.817) 2.997 4.275 ( 0.705 0.253 2.385) 2.500 4.368 ( -1.315 1.275 -0.658) 1.946 4.391 ( -2.175 3.806 0.078) 4.384 4.452 ( 0.620 3.113 -1.046) 3.342 4.522 ( 4.577 2.540 -1.735) 5.514 4.527 ( 1.318 -0.204 1.405) 1.937 4.572 ( -1.934 0.190 -0.589) 2.031 4.655 ( 1.378 3.668 0.318) 3.931 4.683 ( -1.187 2.850 -1.179) 3.305 4.700 ( 1.702 2.042 -2.389) 3.574 4.748 ( -4.029 2.247 0.551) 4.646 4.791 ( -1.524 2.297 -3.068) 4.125 5.001 ( -1.412 0.830 4.316) 4.617 5.098 ( -0.225 -3.587 -0.638) 3.650 5.201 ( -3.044 1.817 3.116) 4.719 5.332 ( 1.291 -2.446 1.072) 2.966 5.524 ( -1.424 -3.968 -1.657) 4.530 5.594 ( 10.697 1.083 -9.085) 14.076 5.660 ( -1.266 -4.587 2.186) 5.236 5.719 ( 1.600 6.539 -12.266) 13.992 5.883 ( -6.384 -2.777 3.720) 7.894 6.137 ( 1.433 -2.814 0.084) 3.159 6.495 ( -0.177 -5.500 1.918) 5.827 6.559 ( -1.499 -13.864 8.612) 16.390 ======================= Grid point 71 (28/91) ======================= q-point: ( 0.20 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 7.060 10.385 11.991) 17.363 0.733 ( 12.361 8.530 11.079) 18.663 1.087 ( -3.259 11.013 -1.669) 11.606 1.130 ( -4.499 3.929 -7.499) 9.587 1.227 ( 3.664 8.252 -2.657) 9.412 1.350 ( 7.258 8.430 9.407) 14.568 1.393 ( 0.406 12.359 -4.348) 13.108 1.619 ( -2.776 7.217 4.210) 8.804 1.741 ( 0.459 0.748 -5.278) 5.351 1.787 ( -0.074 6.243 2.148) 6.603 1.860 ( -3.013 8.376 -2.183) 9.166 1.919 ( -5.948 3.172 0.567) 6.765 2.112 ( 3.015 0.892 0.754) 3.233 2.119 ( 2.097 2.491 -2.437) 4.067 2.314 ( -4.052 4.125 1.818) 6.061 2.362 ( -5.317 5.429 4.456) 8.810 2.378 ( 7.027 2.451 -5.544) 9.280 2.521 ( -7.995 5.101 -7.364) 12.007 2.834 ( 0.609 2.679 -13.880) 14.149 2.996 ( 0.144 1.230 -0.393) 1.299 3.106 ( 6.610 -2.964 0.908) 7.301 3.312 ( -1.057 -3.146 3.028) 4.492 3.407 ( 4.658 -0.396 6.909) 8.342 3.553 ( -0.716 -5.086 -1.040) 5.240 3.647 ( -3.653 -4.833 8.132) 10.140 3.703 ( -1.734 -3.117 -0.309) 3.581 3.817 ( -0.620 -1.293 -0.489) 1.515 3.873 ( -0.118 -2.942 1.899) 3.504 3.951 ( 0.735 0.128 -1.256) 1.461 4.023 ( -0.924 3.202 -0.193) 3.338 4.055 ( -0.272 3.895 -0.447) 3.930 4.094 ( 0.831 1.667 0.650) 1.973 4.121 ( 0.018 5.973 -0.190) 5.976 4.153 ( 1.603 6.735 -0.992) 6.994 4.194 ( 0.811 5.410 -3.070) 6.273 4.267 ( -0.705 3.214 1.422) 3.585 4.281 ( -3.811 0.443 -2.694) 4.688 4.323 ( 0.374 -1.101 2.318) 2.594 4.347 ( -1.785 2.982 0.014) 3.475 4.473 ( 1.108 3.031 -0.306) 3.242 4.488 ( -2.226 2.345 0.258) 3.244 4.584 ( 2.436 -0.801 -1.381) 2.913 4.590 ( 0.644 1.918 0.870) 2.203 4.635 ( -1.339 2.087 -1.834) 3.084 4.672 ( 0.080 4.072 0.764) 4.143 4.700 ( -0.480 2.528 -0.162) 2.578 4.747 ( 0.680 3.288 -0.455) 3.388 4.767 ( 3.029 2.442 -1.960) 4.356 4.962 ( -3.677 -0.375 1.643) 4.045 5.112 ( 0.554 -1.002 2.982) 3.194 5.178 ( -1.787 1.168 3.401) 4.016 5.370 ( 2.087 -3.256 -0.988) 3.991 5.483 ( -1.117 -2.948 -2.404) 3.964 5.564 ( -5.344 2.366 -2.660) 6.422 5.655 ( 1.752 -4.154 -1.911) 4.897 5.747 ( 1.270 -1.913 -1.738) 2.880 5.893 ( 5.364 -1.472 -1.803) 5.848 6.163 ( 1.248 -3.826 0.299) 4.036 6.481 ( -3.232 -4.919 2.715) 6.482 6.537 ( -3.658 -10.273 3.948) 11.598 ======================= Grid point 72 (29/91) ======================= q-point: ( 0.40 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 3.579 10.741 4.097) 12.039 0.969 ( -5.845 4.984 -3.304) 8.362 0.990 ( 5.318 7.229 5.604) 10.581 1.041 ( 1.458 11.852 6.579) 13.633 1.292 ( 9.235 5.262 -9.590) 14.316 1.324 ( 3.357 8.109 -7.935) 11.832 1.565 ( -2.154 3.570 2.730) 4.984 1.632 ( -5.643 5.309 -0.012) 7.748 1.702 ( 3.077 5.833 8.838) 11.027 1.734 ( -0.575 1.829 -7.245) 7.495 1.854 ( -1.930 7.285 -0.273) 7.541 1.890 ( 1.173 5.229 7.139) 8.927 2.032 ( -10.941 8.876 2.689) 14.343 2.101 ( 0.062 2.087 -5.726) 6.095 2.228 ( -2.747 8.193 -5.339) 10.158 2.279 ( -2.525 2.302 4.781) 5.877 2.401 ( -0.836 6.261 1.705) 6.542 2.552 ( 8.633 1.718 1.576) 8.942 2.799 ( 5.742 2.320 -16.378) 17.510 3.008 ( 0.256 1.647 3.687) 4.047 3.210 ( 3.564 -5.254 -1.624) 6.554 3.285 ( -1.821 -1.761 -1.914) 3.175 3.448 ( -6.435 -2.276 -2.228) 7.180 3.566 ( 3.310 -2.011 8.876) 9.684 3.624 ( -5.639 -5.131 0.648) 7.651 3.680 ( 2.501 -4.505 2.582) 5.764 3.806 ( 0.191 -2.595 -1.111) 2.829 3.869 ( -0.869 -3.432 0.568) 3.586 3.967 ( 0.202 1.768 1.225) 2.161 3.987 ( -0.931 1.618 -0.685) 1.989 4.059 ( 0.166 4.804 -0.295) 4.816 4.094 ( -0.433 2.275 -0.441) 2.358 4.126 ( -0.984 6.968 0.193) 7.040 4.147 ( 0.006 4.544 -0.911) 4.635 4.198 ( 1.664 5.106 -3.029) 6.166 4.220 ( -0.426 -0.137 -2.456) 2.496 4.286 ( -0.161 2.849 1.054) 3.042 4.318 ( -0.069 3.397 1.725) 3.810 4.345 ( -0.034 -0.514 1.472) 1.559 4.460 ( -1.198 3.543 -1.303) 3.960 4.493 ( 1.145 5.374 0.689) 5.538 4.572 ( -1.151 1.458 -1.229) 2.228 4.613 ( 1.395 -0.081 -1.293) 1.904 4.624 ( -0.327 1.277 -1.206) 1.787 4.671 ( -0.070 2.764 0.808) 2.880 4.683 ( -1.321 2.648 -0.046) 2.960 4.736 ( 0.252 6.218 -0.376) 6.235 4.855 ( 4.443 0.577 1.092) 4.612 4.930 ( -1.093 -0.802 2.337) 2.702 5.147 ( 0.087 1.573 5.393) 5.618 5.158 ( -2.310 -1.931 1.854) 3.536 5.377 ( 0.802 -2.683 -4.045) 4.920 5.459 ( -2.227 -1.034 -2.415) 3.444 5.488 ( 0.175 0.188 -0.078) 0.269 5.663 ( -2.265 -6.026 5.544) 8.496 5.744 ( 0.966 -2.080 -2.693) 3.537 5.980 ( 6.005 -1.900 -4.740) 7.883 6.183 ( 1.374 -4.792 -1.261) 5.142 6.429 ( -4.284 -4.056 3.665) 6.946 6.499 ( -2.387 -7.504 1.258) 7.974 ======================= Grid point 73 (30/91) ======================= q-point: (-0.40 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -11.466 9.016 -2.455) 14.791 0.816 ( -11.453 14.946 3.467) 19.147 1.083 ( 3.048 9.892 3.381) 10.890 1.264 ( 11.229 4.081 5.935) 13.340 1.342 ( 4.598 7.911 -7.714) 11.968 1.448 ( -4.145 2.313 1.896) 5.112 1.491 ( -15.433 10.163 4.353) 18.985 1.495 ( 3.902 0.999 -5.215) 6.589 1.623 ( -0.179 9.712 5.204) 11.020 1.693 ( 0.169 0.180 -8.007) 8.011 1.792 ( 0.184 7.608 -3.006) 8.183 1.857 ( 0.760 10.426 0.392) 10.461 2.033 ( -0.626 1.511 -6.935) 7.125 2.147 ( 1.279 5.976 -0.478) 6.130 2.244 ( 0.846 1.028 1.461) 1.976 2.289 ( 3.106 4.196 8.191) 9.713 2.432 ( 3.532 8.524 7.032) 11.601 2.703 ( 6.835 -0.319 0.046) 6.842 2.828 ( 8.333 2.181 -14.308) 16.700 3.057 ( 0.437 -0.446 10.147) 10.166 3.119 ( -7.894 -0.223 -10.813) 13.390 3.199 ( -4.781 -2.830 -7.636) 9.444 3.422 ( 4.200 -1.323 3.907) 5.887 3.509 ( -6.616 -3.164 -1.033) 7.406 3.628 ( -1.735 -4.873 8.309) 9.787 3.763 ( 2.067 -3.058 3.202) 4.887 3.803 ( -0.805 -2.175 0.326) 2.342 3.848 ( -1.306 -3.916 -0.415) 4.149 3.963 ( -0.117 3.378 -0.578) 3.429 4.010 ( 2.318 -0.577 1.024) 2.599 4.064 ( 1.059 4.888 -1.034) 5.107 4.079 ( -0.821 1.269 -0.341) 1.550 4.099 ( -0.882 4.573 -1.743) 4.973 4.159 ( 1.373 4.675 -0.543) 4.903 4.194 ( -1.005 -0.527 -2.017) 2.315 4.212 ( 1.489 5.095 -1.826) 5.614 4.297 ( 1.218 3.359 0.324) 3.588 4.319 ( -0.888 1.715 1.216) 2.282 4.370 ( 0.976 0.743 2.604) 2.878 4.437 ( -0.223 3.816 -1.436) 4.083 4.506 ( -0.609 6.483 -1.988) 6.808 4.528 ( -1.582 1.597 -1.089) 2.498 4.608 ( -0.152 1.542 -0.997) 1.843 4.617 ( 0.345 1.616 -1.214) 2.050 4.672 ( -0.109 3.975 0.468) 4.004 4.685 ( 0.610 3.229 0.337) 3.304 4.758 ( 1.822 3.600 0.729) 4.101 4.903 ( -0.413 0.533 1.892) 2.008 4.953 ( 1.552 -0.560 3.298) 3.687 5.103 ( -3.838 -1.044 2.150) 4.521 5.192 ( 0.391 1.211 4.588) 4.762 5.365 ( 0.695 -2.078 -4.641) 5.132 5.418 ( 0.103 0.027 -2.221) 2.224 5.520 ( 2.636 -1.852 -0.630) 3.283 5.647 ( -3.224 -5.912 6.293) 9.217 5.753 ( 1.667 -1.665 -2.815) 3.671 6.039 ( 3.545 -2.145 -3.875) 5.673 6.185 ( 0.541 -5.294 -6.145) 8.129 6.395 ( -2.675 -4.430 8.096) 9.608 6.476 ( -0.672 -6.004 0.593) 6.070 ======================= Grid point 74 (31/91) ======================= q-point: (-0.20 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( -10.674 13.584 1.585) 17.348 0.627 ( -12.757 13.845 7.798) 20.377 1.097 ( -18.190 20.336 16.204) 31.734 1.118 ( -0.978 13.087 1.644) 13.226 1.378 ( 2.576 4.377 -8.402) 9.817 1.422 ( 2.197 1.678 -6.210) 6.797 1.501 ( 2.641 2.060 1.542) 3.687 1.587 ( 1.548 2.192 -1.795) 3.229 1.677 ( 7.618 1.211 -1.566) 7.871 1.723 ( 4.637 7.177 1.844) 8.742 1.783 ( 1.237 8.565 -2.970) 9.150 1.871 ( 1.147 12.964 -0.889) 13.045 2.007 ( -0.717 1.676 0.384) 1.863 2.132 ( -0.120 3.543 -2.987) 4.636 2.249 ( 1.630 0.684 -0.347) 1.802 2.353 ( 0.655 4.212 3.251) 5.361 2.571 ( 2.911 3.931 4.126) 6.400 2.764 ( 1.602 -0.043 -4.431) 4.712 2.824 ( -2.024 1.427 -12.953) 13.188 3.010 ( 2.994 1.547 -0.831) 3.471 3.064 ( -2.341 1.783 -7.562) 8.114 3.157 ( 3.205 -3.079 9.248) 10.261 3.382 ( -5.884 -2.559 -2.816) 7.007 3.546 ( 3.863 -2.317 6.384) 7.813 3.630 ( -2.193 -6.166 5.330) 8.440 3.757 ( -3.997 -0.802 4.161) 5.825 3.801 ( 0.748 -1.611 0.170) 1.784 3.831 ( -0.468 -2.179 0.339) 2.254 3.956 ( 0.143 2.333 -0.939) 2.519 4.051 ( 0.341 0.400 -1.374) 1.471 4.065 ( 0.549 4.780 1.333) 4.993 4.069 ( 0.023 1.014 -2.112) 2.343 4.095 ( 1.447 3.458 -0.047) 3.749 4.147 ( -2.659 0.154 -0.145) 2.667 4.187 ( 2.205 4.176 -1.796) 5.052 4.236 ( 1.914 3.827 -1.869) 4.669 4.295 ( -1.764 1.714 0.359) 2.486 4.340 ( 2.646 2.989 0.404) 4.012 4.403 ( 0.444 3.258 1.677) 3.691 4.437 ( 1.962 2.323 -1.913) 3.593 4.483 ( 1.054 5.445 -2.025) 5.904 4.509 ( -0.872 1.983 0.250) 2.181 4.600 ( -0.498 1.127 -0.513) 1.335 4.627 ( 1.435 2.043 -0.474) 2.541 4.681 ( 1.013 2.830 -0.365) 3.028 4.692 ( 0.164 4.294 -0.017) 4.298 4.787 ( 0.617 1.202 -0.481) 1.434 4.865 ( -4.555 0.890 0.625) 4.683 4.988 ( -1.054 0.171 4.843) 4.959 5.086 ( 1.606 -2.478 -0.327) 2.971 5.220 ( -0.928 1.769 4.709) 5.115 5.334 ( -1.308 -1.517 -1.460) 2.479 5.450 ( 6.556 2.469 -4.914) 8.557 5.553 ( 1.292 -2.934 -2.377) 3.991 5.641 ( -0.556 -4.813 3.621) 6.048 5.758 ( 0.770 -0.024 -3.507) 3.591 6.027 ( -3.526 -3.381 -7.607) 9.040 6.128 ( -0.509 -2.374 -3.784) 4.496 6.459 ( 1.714 -8.959 11.332) 14.547 6.486 ( 1.064 -5.653 2.952) 6.465 ======================= Grid point 75 (32/91) ======================= q-point: ( 0.00 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 151 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 0.734 16.588 5.855) 17.606 0.854 ( -1.060 17.093 4.725) 17.766 1.340 ( -4.425 4.273 -11.576) 13.109 1.401 ( 0.783 14.643 -2.079) 14.811 1.445 ( -2.143 7.416 -4.670) 9.023 1.576 ( 1.583 12.133 -1.109) 12.286 1.670 ( -0.696 16.465 5.186) 17.276 1.714 ( 4.322 7.083 0.663) 8.324 1.828 ( 2.180 4.459 0.781) 5.024 1.921 ( -0.591 7.408 3.598) 8.257 1.958 ( -0.832 1.276 2.947) 3.318 2.076 ( 5.446 6.605 -1.734) 8.734 2.154 ( 0.243 10.728 -2.484) 11.015 2.200 ( -2.457 5.712 -2.494) 6.700 2.361 ( 1.786 2.512 -2.592) 4.028 2.507 ( 4.515 8.392 0.298) 9.534 2.589 ( -8.422 5.667 2.597) 10.478 2.737 ( -3.249 6.362 -0.621) 7.170 2.870 ( 3.556 1.363 -3.344) 5.068 3.055 ( -2.924 3.406 -0.039) 4.489 3.121 ( 0.501 4.277 -0.346) 4.320 3.191 ( 3.505 -1.438 -0.397) 3.809 3.305 ( 2.937 -2.209 1.564) 3.993 3.425 ( -2.738 -5.363 1.613) 6.234 3.602 ( -0.903 -2.579 3.055) 4.099 3.683 ( -3.528 -1.608 1.267) 4.079 3.787 ( 0.858 -1.887 -0.710) 2.191 3.807 ( 1.182 -1.080 1.161) 1.978 3.976 ( -0.298 0.060 -3.539) 3.552 4.058 ( 0.648 -1.128 0.201) 1.316 4.059 ( 2.065 1.028 0.636) 2.393 4.112 ( 0.640 -1.175 -0.115) 1.343 4.216 ( -0.050 5.673 -0.587) 5.704 4.246 ( 0.963 4.901 1.789) 5.306 4.290 ( -0.021 1.935 -2.489) 3.153 4.320 ( 2.243 5.601 1.234) 6.158 4.348 ( -0.297 4.364 1.149) 4.523 4.430 ( -1.730 4.533 0.129) 4.853 4.445 ( -1.680 0.971 0.004) 1.940 4.499 ( 0.207 0.200 0.217) 0.361 4.530 ( 0.714 0.114 1.520) 1.683 4.542 ( -0.381 1.065 -0.463) 1.223 4.586 ( 0.409 1.366 -2.665) 3.022 4.686 ( 2.718 0.934 -3.554) 4.571 4.704 ( -0.876 -0.460 2.301) 2.505 4.781 ( -0.481 4.002 0.336) 4.045 4.828 ( -4.089 2.666 3.324) 5.905 4.873 ( 0.340 7.802 -1.359) 7.926 4.990 ( -1.236 -5.773 -0.031) 5.904 5.039 ( 0.996 1.855 1.741) 2.731 5.235 ( -1.128 -0.812 1.653) 2.160 5.292 ( -0.736 0.989 1.545) 1.977 5.421 ( -0.359 -5.411 -1.090) 5.532 5.526 ( 0.039 -6.499 0.983) 6.573 5.568 ( 5.221 -2.607 -4.968) 7.664 5.800 ( 1.688 -1.676 1.769) 2.964 5.831 ( -3.515 -0.336 -8.996) 9.664 6.067 ( 0.251 -3.590 -1.242) 3.807 6.315 ( -0.837 -9.338 5.342) 10.791 6.364 ( -0.238 -7.455 1.663) 7.642 ======================= Grid point 76 (33/91) ======================= q-point: ( 0.20 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 151 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 5.800 14.073 5.482) 16.178 0.949 ( 9.977 12.730 6.920) 17.592 1.207 ( -2.598 6.710 -10.363) 12.616 1.376 ( -1.772 8.667 -2.841) 9.291 1.407 ( 0.585 14.305 -2.693) 14.568 1.575 ( 1.565 8.509 -9.085) 12.545 1.682 ( -2.103 10.951 2.320) 11.390 1.774 ( 1.436 3.800 -4.616) 6.149 1.819 ( -0.357 12.657 6.848) 14.395 1.918 ( -5.326 4.909 4.297) 8.422 1.973 ( 1.000 5.453 2.009) 5.897 2.108 ( -1.763 10.126 -1.679) 10.414 2.151 ( 2.450 4.857 1.044) 5.539 2.213 ( 4.174 7.104 -0.790) 8.277 2.368 ( 0.663 0.353 -0.342) 0.825 2.461 ( -6.130 8.574 2.252) 10.777 2.583 ( 1.508 10.728 -2.232) 11.061 2.669 ( -3.802 9.730 2.369) 10.712 2.877 ( -0.888 1.469 -3.906) 4.266 3.034 ( 2.412 2.035 -0.421) 3.183 3.117 ( 0.931 5.338 -4.791) 7.233 3.241 ( 1.957 -3.379 -0.041) 3.905 3.376 ( 1.744 -6.036 2.585) 6.794 3.422 ( 1.371 -3.534 3.448) 5.124 3.564 ( -4.598 -2.580 3.320) 6.231 3.637 ( -1.966 -3.193 -1.008) 3.883 3.782 ( -0.881 -1.149 -0.538) 1.545 3.819 ( -0.781 -2.102 1.625) 2.769 3.960 ( 0.807 0.639 -2.886) 3.064 4.060 ( -0.150 -2.234 -0.588) 2.315 4.096 ( 0.285 2.527 -0.771) 2.657 4.125 ( 1.684 -0.085 0.924) 1.923 4.227 ( 0.979 4.476 -1.072) 4.705 4.267 ( 1.069 3.269 -1.381) 3.706 4.287 ( 0.115 3.822 1.139) 3.989 4.341 ( -0.790 4.256 1.362) 4.538 4.355 ( -1.856 3.870 -1.046) 4.417 4.365 ( -2.214 5.304 1.765) 6.012 4.402 ( -2.253 1.216 -0.347) 2.584 4.493 ( -0.511 0.343 0.445) 0.759 4.546 ( 1.601 2.305 2.375) 3.676 4.570 ( 2.265 0.201 -1.312) 2.625 4.607 ( 2.014 1.014 -1.342) 2.624 4.675 ( -1.640 -0.059 -0.326) 1.673 4.731 ( 2.159 3.066 -2.150) 4.322 4.780 ( -1.626 2.673 1.445) 3.446 4.800 ( 1.038 2.857 2.015) 3.647 4.878 ( 1.051 7.203 -1.363) 7.406 4.941 ( -3.168 -2.660 0.827) 4.219 5.088 ( 2.229 0.061 1.935) 2.953 5.227 ( -1.809 1.762 2.192) 3.344 5.290 ( 0.275 -2.951 0.661) 3.037 5.411 ( 0.292 -3.290 -1.838) 3.780 5.516 ( -1.871 -6.384 1.771) 6.884 5.600 ( 0.232 -0.788 -2.998) 3.109 5.709 ( -3.459 -2.122 -3.229) 5.186 5.865 ( 5.081 -1.055 -3.378) 6.192 6.065 ( 0.029 -5.170 -0.376) 5.183 6.321 ( -1.336 -9.859 3.290) 10.479 6.355 ( -1.778 -6.714 1.580) 7.123 ======================= Grid point 77 (34/91) ======================= q-point: ( 0.40 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 151 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -2.497 10.887 -4.192) 11.930 1.096 ( 8.835 9.039 2.964) 12.983 1.186 ( 5.415 11.748 4.298) 13.632 1.352 ( -1.721 13.886 2.689) 14.249 1.404 ( 5.084 7.210 -6.386) 10.891 1.540 ( 1.995 9.858 -9.937) 14.139 1.615 ( -4.540 2.847 0.154) 5.361 1.757 ( 0.323 3.306 -5.640) 6.545 1.807 ( -2.597 7.613 -2.559) 8.441 1.908 ( 0.407 10.822 6.440) 12.600 1.982 ( -1.625 5.765 1.969) 6.305 2.068 ( -2.449 9.379 0.709) 9.719 2.169 ( -4.031 7.592 -3.859) 9.422 2.252 ( 1.385 8.864 4.406) 9.995 2.384 ( -2.297 5.417 3.893) 7.055 2.425 ( 1.499 10.268 3.410) 10.923 2.537 ( -0.906 9.259 -0.269) 9.308 2.679 ( 1.101 9.299 3.124) 9.872 2.849 ( 1.290 3.214 -3.469) 4.902 3.080 ( 2.243 4.929 -6.407) 8.389 3.108 ( 1.225 -3.628 -0.350) 3.845 3.254 ( 0.332 -0.531 -3.265) 3.324 3.376 ( -1.295 -6.193 -0.994) 6.405 3.478 ( -2.682 -5.755 5.570) 8.446 3.519 ( -0.028 -2.124 3.029) 3.700 3.620 ( 1.541 -2.218 -0.367) 2.725 3.763 ( -0.354 -1.226 -0.844) 1.530 3.807 ( -1.704 -2.207 2.318) 3.626 3.966 ( 1.456 0.286 -1.779) 2.317 4.055 ( 0.591 -2.255 -1.807) 2.949 4.069 ( -1.268 2.546 -2.085) 3.527 4.156 ( 0.111 1.466 0.617) 1.594 4.221 ( -0.236 2.782 -1.516) 3.177 4.247 ( -2.666 3.924 -1.639) 5.019 4.290 ( -0.244 4.996 -1.151) 5.133 4.300 ( -0.516 4.313 0.169) 4.347 4.344 ( 0.309 3.647 0.887) 3.766 4.365 ( -0.737 2.482 0.856) 2.727 4.396 ( 0.788 3.009 2.120) 3.764 4.492 ( -0.264 -0.373 0.032) 0.458 4.591 ( 1.075 1.007 0.022) 1.473 4.600 ( 0.629 2.024 0.641) 2.214 4.616 ( 0.915 1.396 0.002) 1.669 4.658 ( 0.248 1.337 -0.729) 1.543 4.726 ( -1.373 4.493 0.729) 4.754 4.758 ( -1.053 2.851 0.546) 3.088 4.848 ( 1.987 2.428 -0.794) 3.237 4.892 ( 0.026 1.328 1.372) 1.909 4.930 ( 2.765 2.953 -0.068) 4.046 5.117 ( -1.207 -0.462 2.155) 2.513 5.208 ( -1.401 2.763 3.511) 4.682 5.301 ( 1.095 -3.661 -1.457) 4.090 5.408 ( 0.496 -2.514 -1.966) 3.230 5.491 ( -2.284 -6.912 2.936) 7.849 5.537 ( -4.015 0.463 -0.423) 4.063 5.693 ( 2.340 -2.517 -3.205) 4.699 5.935 ( 4.715 -2.305 -2.545) 5.833 6.060 ( -0.166 -6.631 -0.790) 6.680 6.316 ( -0.683 -9.130 1.528) 9.282 6.324 ( -2.749 -5.759 1.839) 6.641 ======================= Grid point 78 (35/91) ======================= q-point: (-0.40 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 151 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -6.001 13.509 -3.952) 15.301 1.112 ( -11.617 13.129 1.891) 17.632 1.295 ( 8.803 8.807 4.109) 13.113 1.409 ( 2.739 10.580 1.237) 10.999 1.514 ( 8.879 5.995 -7.963) 13.349 1.534 ( -1.187 5.736 1.268) 5.994 1.572 ( 4.661 7.362 -3.618) 9.435 1.704 ( -1.563 2.579 -7.963) 8.515 1.804 ( 2.660 6.336 -1.098) 6.959 1.843 ( -11.067 19.623 5.340) 23.153 1.958 ( -0.675 8.931 2.547) 9.312 2.071 ( -0.722 4.890 -0.251) 4.950 2.081 ( 1.428 7.016 -3.256) 7.865 2.278 ( -1.449 6.645 3.163) 7.501 2.382 ( 0.998 7.559 -3.278) 8.299 2.412 ( -2.353 9.762 1.937) 10.227 2.623 ( 3.210 8.877 10.082) 13.811 2.730 ( 3.019 3.686 1.337) 4.948 2.872 ( 2.241 2.016 -2.299) 3.791 3.062 ( 0.088 2.714 -1.752) 3.232 3.109 ( -1.113 -1.844 -1.842) 2.835 3.193 ( -2.039 3.701 -8.148) 9.179 3.360 ( -1.279 -6.537 -0.245) 6.665 3.456 ( 0.300 0.160 2.782) 2.803 3.527 ( -1.513 -4.279 2.395) 5.131 3.688 ( 3.861 -4.016 1.902) 5.887 3.761 ( 0.393 -2.210 -0.587) 2.320 3.790 ( -2.119 -0.932 2.822) 3.650 3.991 ( 2.390 -0.383 -1.047) 2.637 4.035 ( -0.906 2.482 -2.096) 3.373 4.054 ( 0.503 -2.379 -3.065) 3.913 4.131 ( -2.490 0.611 -0.538) 2.619 4.200 ( 0.264 4.674 -0.170) 4.684 4.241 ( 2.309 3.218 -2.019) 4.446 4.271 ( -1.064 5.069 -0.204) 5.184 4.298 ( 0.289 3.273 -1.516) 3.618 4.356 ( -0.586 3.288 0.755) 3.424 4.366 ( 1.135 2.957 0.980) 3.316 4.424 ( 0.538 3.296 2.345) 4.081 4.484 ( -0.304 1.147 0.273) 1.218 4.565 ( -1.964 1.203 -0.707) 2.409 4.616 ( -0.750 0.200 -1.344) 1.552 4.621 ( -0.020 3.518 0.607) 3.570 4.672 ( 0.428 0.619 1.408) 1.596 4.702 ( -1.272 1.272 0.100) 1.802 4.762 ( 0.742 5.254 1.123) 5.424 4.860 ( 0.734 4.136 -1.563) 4.482 4.912 ( 1.266 -2.090 1.999) 3.157 4.974 ( -0.354 4.824 0.991) 4.937 5.077 ( -3.249 -0.718 1.982) 3.872 5.227 ( 0.870 1.167 2.897) 3.242 5.311 ( 0.295 -2.147 -1.336) 2.546 5.402 ( 1.126 -2.388 -1.969) 3.293 5.482 ( -0.795 -8.872 2.677) 9.301 5.495 ( -0.202 0.235 -0.826) 0.882 5.722 ( 2.561 -1.153 -1.863) 3.370 5.979 ( 1.389 -3.769 -3.313) 5.207 6.060 ( 1.318 -6.073 -1.516) 6.397 6.288 ( -2.778 -5.572 3.849) 7.319 6.322 ( 0.659 -7.979 0.540) 8.024 ======================= Grid point 79 (36/91) ======================= q-point: (-0.20 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 151 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -5.312 17.339 -1.227) 18.176 0.920 ( -10.335 14.573 5.145) 18.592 1.400 ( 1.096 14.796 -0.541) 14.846 1.444 ( 2.119 4.598 -5.723) 7.641 1.497 ( -2.206 5.816 -1.895) 6.502 1.573 ( 1.448 9.481 -2.994) 10.047 1.626 ( 0.728 4.013 -1.838) 4.473 1.697 ( -4.573 20.033 4.138) 20.961 1.718 ( 7.442 5.175 1.309) 9.158 1.898 ( 4.816 7.562 -0.695) 8.992 1.954 ( -0.869 7.976 0.372) 8.032 2.034 ( -0.804 1.530 0.658) 1.850 2.134 ( 3.433 7.456 -2.012) 8.452 2.257 ( -1.996 9.264 -0.573) 9.494 2.352 ( 0.275 9.522 -3.443) 10.129 2.436 ( 2.356 3.791 1.702) 4.777 2.685 ( -2.790 5.363 5.297) 8.037 2.772 ( -0.516 2.304 2.748) 3.623 2.861 ( -0.798 2.349 -3.916) 4.636 3.068 ( 1.111 3.378 -0.717) 3.627 3.099 ( 1.002 0.795 1.819) 2.223 3.149 ( 2.617 4.760 -6.311) 8.326 3.304 ( -3.096 -4.708 -0.416) 5.650 3.473 ( -3.141 -4.222 2.642) 5.888 3.552 ( 3.747 -1.272 1.986) 4.427 3.733 ( -2.426 -2.495 3.783) 5.140 3.768 ( 1.169 -1.330 -0.087) 1.773 3.776 ( 1.029 -1.466 -0.593) 1.887 4.005 ( -0.587 0.610 -2.500) 2.639 4.032 ( 1.359 0.370 0.080) 1.411 4.045 ( 1.218 -1.614 -2.692) 3.367 4.099 ( -0.184 -0.522 0.247) 0.605 4.223 ( 0.662 6.349 0.603) 6.411 4.239 ( -1.242 4.732 0.616) 4.931 4.278 ( 2.151 3.352 -1.538) 4.269 4.297 ( 0.749 2.503 -1.918) 3.242 4.345 ( -0.422 3.951 0.631) 4.023 4.412 ( 2.930 3.272 1.069) 4.520 4.442 ( 0.159 2.364 1.626) 2.874 4.491 ( 0.646 2.514 0.019) 2.595 4.524 ( -2.275 0.314 1.287) 2.633 4.587 ( -1.639 -0.607 -2.067) 2.707 4.607 ( -0.793 3.266 -1.498) 3.679 4.675 ( -0.008 1.453 -0.475) 1.529 4.696 ( -0.041 -0.683 1.684) 1.818 4.783 ( 0.304 4.993 1.071) 5.115 4.860 ( 0.138 3.443 -1.389) 3.715 4.914 ( -4.831 4.853 1.985) 7.130 4.962 ( 1.801 -3.686 1.909) 4.525 5.049 ( -1.457 0.380 0.636) 1.634 5.255 ( -0.897 0.326 2.066) 2.276 5.288 ( -0.871 -1.292 0.759) 1.733 5.430 ( 0.975 -4.197 -0.945) 4.412 5.494 ( 3.769 -4.041 -3.822) 6.719 5.514 ( 1.486 -4.199 1.129) 4.596 5.758 ( 2.451 -0.471 -0.965) 2.676 5.938 ( -2.623 -4.855 -5.414) 7.730 6.071 ( 0.949 -3.063 -2.801) 4.258 6.289 ( -0.933 -7.241 6.701) 9.910 6.345 ( 1.147 -7.573 0.969) 7.720 ======================= Grid point 80 (37/91) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -1.313 14.044 3.645) 14.569 1.213 ( 0.762 16.790 -0.659) 16.820 1.459 ( -2.891 7.094 -8.022) 11.093 1.595 ( -0.973 7.606 -2.116) 7.954 1.659 ( 2.545 4.240 -7.952) 9.365 1.719 ( 0.397 11.173 -1.233) 11.248 1.833 ( 5.373 6.022 0.953) 8.126 1.897 ( 4.008 3.235 -2.156) 5.584 1.928 ( -3.643 1.484 0.954) 4.048 2.007 ( -0.215 3.842 1.013) 3.979 2.114 ( 1.469 6.272 -1.038) 6.524 2.223 ( 3.009 5.590 -4.730) 7.917 2.329 ( 1.484 8.996 3.261) 9.683 2.395 ( -4.128 2.135 3.861) 6.042 2.419 ( -4.137 13.793 2.794) 14.669 2.553 ( 0.897 -2.205 2.911) 3.761 2.751 ( 0.334 6.035 3.120) 6.802 2.858 ( -1.155 5.094 2.470) 5.778 3.003 ( -0.115 6.770 0.650) 6.802 3.105 ( 0.248 1.318 1.975) 2.387 3.191 ( -2.900 6.448 1.885) 7.317 3.234 ( 2.606 2.271 -3.164) 4.686 3.287 ( 1.138 5.893 -3.929) 7.173 3.407 ( -0.695 2.304 0.999) 2.606 3.553 ( 0.132 -2.455 -0.801) 2.586 3.643 ( -4.440 -1.774 1.551) 5.026 3.784 ( 0.713 0.928 -0.178) 1.184 3.793 ( 1.371 0.773 0.219) 1.589 3.980 ( 0.321 0.180 -3.586) 3.605 4.030 ( -0.928 -1.709 -1.036) 2.203 4.045 ( 2.465 -1.289 0.203) 2.789 4.097 ( 1.728 0.277 -0.405) 1.796 4.273 ( 1.012 -1.460 1.645) 2.421 4.305 ( -0.108 2.510 -1.996) 3.208 4.343 ( 1.010 2.769 0.443) 2.980 4.410 ( -0.641 -0.213 0.355) 0.763 4.424 ( -1.211 1.884 1.498) 2.695 4.440 ( -3.046 0.819 1.047) 3.324 4.484 ( -1.683 -0.441 -0.166) 1.747 4.497 ( 4.070 0.935 -1.198) 4.345 4.546 ( 0.394 1.948 1.170) 2.306 4.560 ( 0.049 1.901 1.582) 2.474 4.639 ( -0.334 2.809 -1.089) 3.031 4.707 ( 0.918 1.150 1.174) 1.882 4.732 ( 0.696 3.190 -1.845) 3.750 4.810 ( -1.836 -0.354 0.757) 2.017 4.876 ( -0.822 -4.452 0.504) 4.555 4.891 ( -2.015 2.757 2.846) 4.445 5.039 ( 0.457 6.448 -1.132) 6.563 5.042 ( 0.315 -1.728 -0.610) 1.859 5.194 ( 0.326 -1.678 0.205) 1.722 5.309 ( -2.252 -3.141 0.890) 3.966 5.364 ( 2.130 2.444 0.861) 3.354 5.420 ( -0.226 -2.786 1.190) 3.038 5.534 ( 3.536 -0.481 -3.205) 4.797 5.729 ( -3.868 -4.147 2.935) 6.386 5.804 ( 2.079 -2.774 -5.153) 6.211 5.992 ( -0.266 -4.130 -2.118) 4.649 6.150 ( -0.900 -6.303 1.521) 6.546 6.222 ( 0.299 -5.842 0.887) 5.917 ======================= Grid point 81 (38/91) ======================= q-point: ( 0.20 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 5.379 11.005 1.050) 12.294 1.252 ( 4.100 14.716 1.825) 15.385 1.391 ( 0.095 10.450 -5.423) 11.774 1.563 ( -0.790 8.806 -1.374) 8.948 1.645 ( 1.665 5.163 -9.804) 11.204 1.713 ( -0.790 8.832 -1.481) 8.991 1.815 ( -5.292 4.345 -1.872) 7.098 1.882 ( 0.845 4.952 -6.413) 8.146 1.986 ( 2.898 2.810 5.612) 6.913 2.021 ( 0.209 5.032 -1.876) 5.375 2.088 ( -2.856 4.861 2.303) 6.090 2.216 ( 0.180 4.374 -3.377) 5.529 2.361 ( 1.129 1.935 2.964) 3.715 2.395 ( 1.634 8.459 -1.665) 8.775 2.431 ( 0.339 12.746 9.013) 15.615 2.584 ( 0.461 0.633 2.843) 2.949 2.754 ( -2.034 2.756 2.776) 4.409 2.838 ( -2.991 10.335 3.826) 11.419 3.001 ( 0.162 6.635 0.634) 6.667 3.132 ( -4.161 7.901 1.836) 9.116 3.153 ( 3.352 -3.884 -1.140) 5.255 3.265 ( 0.578 3.509 -4.725) 5.914 3.280 ( 3.382 6.707 -3.481) 8.278 3.407 ( -0.962 0.388 2.387) 2.603 3.534 ( -2.059 -0.552 0.663) 2.232 3.575 ( -2.202 -2.745 -0.504) 3.555 3.791 ( -0.242 0.694 1.372) 1.557 3.795 ( -1.166 1.627 -0.385) 2.038 3.977 ( 1.483 0.632 -3.130) 3.521 4.009 ( -0.527 -1.869 -0.998) 2.183 4.094 ( 1.908 -2.048 -0.366) 2.823 4.123 ( 1.940 0.587 -0.298) 2.049 4.285 ( -0.649 0.546 -1.557) 1.773 4.303 ( 0.414 -0.064 0.647) 0.771 4.357 ( -0.046 1.709 1.106) 2.036 4.379 ( -1.246 -0.706 -0.073) 1.434 4.407 ( -1.635 1.288 -0.178) 2.089 4.421 ( 0.005 2.013 1.907) 2.773 4.441 ( -2.422 1.675 -0.395) 2.971 4.525 ( -1.089 2.790 -0.130) 2.998 4.574 ( 0.611 0.990 3.459) 3.649 4.584 ( 1.897 -0.452 0.097) 1.953 4.637 ( 0.605 2.033 -1.218) 2.446 4.703 ( 0.219 3.144 0.233) 3.161 4.773 ( 2.001 0.220 0.267) 2.030 4.806 ( 1.798 2.204 -0.885) 2.979 4.857 ( -1.372 -3.659 0.912) 4.013 4.878 ( -0.628 3.219 1.913) 3.796 5.022 ( -0.322 4.760 -1.525) 5.009 5.071 ( 1.826 -1.940 -0.133) 2.667 5.205 ( 0.629 -1.209 0.127) 1.369 5.280 ( -1.486 -1.483 0.818) 2.253 5.393 ( 0.091 1.445 0.972) 1.744 5.412 ( -1.424 -1.953 1.289) 2.740 5.584 ( 3.370 -0.538 -1.676) 3.802 5.645 ( -4.789 -4.040 -1.221) 6.383 5.835 ( 3.181 -2.348 -2.106) 4.480 5.961 ( -1.741 -4.963 -1.444) 5.454 6.145 ( -0.489 -6.576 1.247) 6.711 6.224 ( -0.580 -5.593 0.700) 5.667 ======================= Grid point 82 (39/91) ======================= q-point: ( 0.40 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 3.546 8.786 -4.765) 10.605 1.356 ( 3.884 12.265 1.767) 12.986 1.432 ( 6.444 11.398 2.256) 13.287 1.561 ( -1.091 6.584 0.273) 6.679 1.587 ( -0.171 8.654 -4.739) 9.868 1.669 ( -1.866 4.516 -2.941) 5.703 1.719 ( -2.275 6.485 -4.559) 8.247 1.858 ( 1.537 6.257 -7.424) 9.830 1.944 ( -2.377 5.085 -5.505) 7.862 2.070 ( 1.169 3.105 1.578) 3.674 2.105 ( 1.311 7.133 5.582) 9.152 2.183 ( -2.488 3.131 -1.335) 4.216 2.401 ( 0.348 5.732 3.761) 6.865 2.406 ( -0.154 8.083 -0.684) 8.113 2.467 ( -1.838 8.270 5.280) 9.982 2.603 ( -0.733 1.599 3.145) 3.603 2.734 ( -1.058 0.369 2.008) 2.300 2.819 ( -2.345 14.202 6.697) 15.876 3.026 ( 1.859 4.940 0.794) 5.338 3.060 ( -3.739 5.118 -0.115) 6.339 3.194 ( 2.267 -1.629 -2.852) 3.991 3.248 ( 1.507 3.512 -5.685) 6.850 3.297 ( -0.205 5.757 -1.702) 6.007 3.426 ( 1.852 0.560 3.895) 4.349 3.500 ( -1.661 0.345 -0.327) 1.728 3.570 ( 1.469 -2.841 -0.916) 3.327 3.761 ( -1.800 1.569 -0.509) 2.442 3.796 ( -0.600 1.190 2.567) 2.892 3.984 ( 1.154 1.197 -2.461) 2.970 4.007 ( 1.197 -1.691 -1.644) 2.645 4.086 ( -0.505 -0.722 -2.903) 3.034 4.159 ( 0.295 -0.348 0.662) 0.804 4.257 ( -1.520 0.828 -0.641) 1.846 4.294 ( -0.917 -0.003 -0.332) 0.976 4.347 ( -0.738 0.455 -0.027) 0.868 4.366 ( -0.630 1.683 -1.059) 2.086 4.400 ( 0.445 0.562 0.657) 0.972 4.413 ( 0.117 2.728 -0.177) 2.737 4.443 ( 0.569 0.821 1.679) 1.954 4.508 ( -0.444 3.020 1.475) 3.390 4.573 ( -1.603 -1.150 1.228) 2.324 4.620 ( 1.094 1.386 1.604) 2.385 4.646 ( 1.173 -0.814 -0.907) 1.692 4.713 ( -0.182 3.191 -0.651) 3.262 4.755 ( -3.089 0.605 2.542) 4.046 4.846 ( -0.455 -0.520 1.623) 1.764 4.855 ( 1.683 3.140 0.204) 3.568 4.921 ( 4.663 3.165 -1.303) 5.784 5.012 ( 0.833 3.158 -2.028) 3.845 5.096 ( 0.698 -3.397 0.685) 3.535 5.212 ( -0.566 0.354 0.731) 0.990 5.270 ( 0.379 -2.848 0.256) 2.885 5.355 ( -4.522 -3.116 0.567) 5.521 5.401 ( -0.179 2.291 -0.512) 2.354 5.552 ( -3.344 -0.735 1.008) 3.570 5.656 ( 4.177 -0.841 -2.450) 4.915 5.881 ( 2.978 -3.147 -0.839) 4.413 5.921 ( -1.792 -6.727 -0.607) 6.989 6.150 ( 0.217 -6.192 1.141) 6.300 6.211 ( -1.217 -4.984 0.277) 5.138 ======================= Grid point 83 (40/91) ======================= q-point: (-0.40 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -0.948 12.971 -4.393) 13.727 1.353 ( -8.819 9.977 0.631) 13.331 1.487 ( 5.083 10.316 2.957) 11.874 1.598 ( -0.131 5.712 0.954) 5.793 1.633 ( 6.312 5.589 -4.297) 9.463 1.680 ( 2.585 3.553 -3.006) 5.324 1.687 ( 3.924 8.970 -0.944) 9.837 1.834 ( -0.500 8.573 -5.752) 10.336 1.899 ( 3.639 4.657 -7.509) 9.557 2.065 ( -0.100 1.165 -5.162) 5.293 2.114 ( -4.409 1.960 1.845) 5.165 2.166 ( 0.523 7.647 5.243) 9.286 2.348 ( -4.546 16.811 0.261) 17.417 2.429 ( -1.695 0.455 5.578) 5.848 2.474 ( 1.432 8.902 2.142) 9.267 2.585 ( -3.340 3.069 3.109) 5.499 2.744 ( -0.139 -0.770 1.877) 2.034 2.824 ( -1.923 8.991 5.626) 10.779 2.999 ( -0.938 7.883 -2.217) 8.243 3.084 ( 1.735 1.656 3.546) 4.281 3.196 ( -0.218 -0.626 -0.816) 1.051 3.250 ( 2.246 9.162 -6.025) 11.193 3.284 ( -0.077 2.520 -0.363) 2.547 3.461 ( -1.417 -0.396 -0.082) 1.473 3.495 ( 2.076 1.993 0.805) 2.989 3.608 ( 3.400 -3.110 -0.171) 4.611 3.743 ( 0.261 1.218 -0.226) 1.267 3.793 ( -1.591 0.875 2.282) 2.916 3.994 ( 1.597 0.368 -1.804) 2.437 4.016 ( 0.866 -0.806 -2.116) 2.424 4.062 ( -0.116 0.776 -2.786) 2.894 4.124 ( -3.233 -0.779 -0.336) 3.342 4.244 ( 0.847 0.508 -0.047) 0.989 4.294 ( 0.989 1.132 -0.957) 1.782 4.333 ( -1.538 0.669 -0.919) 1.912 4.357 ( 1.185 0.815 0.047) 1.439 4.407 ( 0.307 2.161 1.271) 2.526 4.424 ( 0.207 1.982 -0.514) 2.058 4.465 ( 1.631 0.976 0.230) 1.915 4.530 ( 0.608 2.771 3.123) 4.219 4.551 ( -1.817 -0.897 1.308) 2.412 4.628 ( -0.961 0.990 -1.502) 2.040 4.657 ( -0.732 -0.727 2.770) 2.956 4.688 ( -1.236 1.138 -1.636) 2.345 4.718 ( -1.351 1.888 1.182) 2.605 4.856 ( 0.140 -1.706 1.810) 2.491 4.882 ( 0.657 4.634 1.518) 4.920 4.946 ( -0.773 3.625 -1.763) 4.104 5.033 ( 1.227 -0.336 -1.847) 2.243 5.098 ( -1.893 2.122 2.265) 3.636 5.195 ( -0.157 -2.804 -0.066) 2.809 5.271 ( -0.978 -5.061 -0.966) 5.244 5.327 ( 3.066 -1.148 -0.097) 3.275 5.393 ( -0.711 0.602 -0.102) 0.937 5.517 ( -1.440 1.263 0.349) 1.947 5.705 ( 2.343 -0.656 -0.476) 2.479 5.875 ( -1.296 -5.958 -2.574) 6.618 5.946 ( 3.073 -5.398 0.713) 6.253 6.166 ( 0.071 -5.597 2.265) 6.039 6.189 ( -0.666 -4.704 -0.806) 4.819 ======================= Grid point 84 (41/91) ======================= q-point: (-0.20 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -5.587 14.318 0.392) 15.375 1.227 ( -3.038 14.943 0.111) 15.249 1.550 ( -0.246 6.115 -5.090) 7.960 1.601 ( 0.294 4.861 1.153) 5.004 1.669 ( 1.031 6.702 -2.949) 7.394 1.711 ( 3.137 6.414 -3.462) 7.935 1.738 ( 2.974 8.484 -2.485) 9.327 1.822 ( 4.675 7.140 -3.792) 9.339 1.969 ( 3.571 3.196 -3.951) 6.211 2.019 ( -1.861 1.093 -0.322) 2.182 2.074 ( 0.681 2.182 -0.130) 2.289 2.196 ( 1.019 7.673 0.800) 7.781 2.296 ( -1.373 16.872 2.674) 17.138 2.426 ( -1.937 2.500 3.641) 4.823 2.519 ( 0.001 1.508 0.704) 1.664 2.521 ( -5.007 9.060 4.189) 11.167 2.733 ( -1.691 1.305 3.610) 4.195 2.842 ( 1.166 4.650 1.865) 5.144 2.992 ( 0.670 4.752 -0.437) 4.819 3.112 ( -1.661 4.428 4.081) 6.247 3.193 ( 0.521 1.089 -0.310) 1.246 3.245 ( 0.011 9.090 -2.556) 9.442 3.281 ( 1.202 4.842 -3.244) 5.951 3.427 ( -1.922 0.409 0.378) 2.001 3.536 ( 2.226 -1.325 -0.820) 2.717 3.666 ( 1.183 -2.028 2.051) 3.117 3.762 ( 1.560 0.471 0.228) 1.646 3.776 ( -0.474 1.256 0.063) 1.344 4.006 ( -0.034 0.219 -3.678) 3.685 4.013 ( 1.250 -1.382 -0.835) 2.042 4.047 ( 0.131 0.476 -1.780) 1.847 4.083 ( -0.803 -0.279 0.212) 0.876 4.261 ( -0.156 -1.554 0.657) 1.694 4.312 ( 1.810 2.204 0.205) 2.859 4.314 ( 0.473 2.028 -1.545) 2.593 4.392 ( 1.958 1.459 0.553) 2.504 4.422 ( -0.214 2.733 1.696) 3.224 4.431 ( 2.171 0.648 -0.614) 2.347 4.490 ( -0.253 -0.208 0.532) 0.625 4.516 ( -2.704 1.110 1.850) 3.459 4.549 ( -0.478 1.267 1.220) 1.823 4.568 ( -2.398 1.703 -1.859) 3.479 4.659 ( -0.684 1.197 -1.752) 2.229 4.678 ( 0.685 0.476 2.682) 2.809 4.723 ( 0.684 2.283 0.361) 2.410 4.862 ( -1.904 0.048 0.410) 1.948 4.880 ( -1.124 -1.147 0.561) 1.701 4.909 ( -1.929 2.444 1.724) 3.559 5.027 ( 0.334 1.183 -1.190) 1.711 5.067 ( -1.857 3.006 0.272) 3.544 5.195 ( -0.507 -3.440 0.292) 3.489 5.296 ( 3.311 -1.768 0.021) 3.754 5.358 ( -1.559 -0.386 0.226) 1.622 5.397 ( 2.226 -2.309 0.311) 3.223 5.507 ( 0.996 1.092 -1.655) 2.219 5.734 ( 0.550 -1.764 1.688) 2.502 5.833 ( -1.179 -5.161 -3.789) 6.510 5.990 ( 1.789 -5.116 -1.293) 5.572 6.159 ( -1.355 -5.125 1.632) 5.547 6.202 ( 1.300 -5.631 0.647) 5.815 ======================= Grid point 85 (42/91) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 151 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -1.576 10.613 1.080) 10.783 1.521 ( 0.905 12.600 -2.271) 12.835 1.611 ( -1.028 6.740 -4.314) 8.068 1.686 ( -0.375 1.926 -1.787) 2.654 1.759 ( 1.863 4.565 -4.984) 7.011 1.877 ( 3.045 1.058 -1.258) 3.461 1.901 ( -2.726 0.767 -0.131) 2.835 1.941 ( 3.407 5.387 -1.276) 6.501 2.009 ( -0.193 4.230 -0.921) 4.333 2.070 ( 2.563 3.221 -1.205) 4.289 2.184 ( 3.512 1.352 -1.767) 4.157 2.277 ( 2.327 1.302 -1.846) 3.243 2.379 ( -7.463 -0.515 5.199) 9.110 2.465 ( -0.324 0.832 2.315) 2.481 2.498 ( -0.059 -2.102 2.949) 3.622 2.656 ( -2.507 3.983 1.815) 5.044 2.789 ( -1.584 1.676 4.067) 4.676 2.877 ( 1.544 -5.710 0.388) 5.928 3.105 ( 2.378 10.951 -0.725) 11.230 3.253 ( -2.284 4.564 4.450) 6.771 3.306 ( 1.421 7.982 -1.921) 8.332 3.395 ( -0.550 6.039 0.532) 6.088 3.433 ( -2.156 8.648 2.664) 9.302 3.487 ( -0.981 5.074 1.459) 5.370 3.503 ( 1.650 -0.991 -1.760) 2.608 3.638 ( -3.500 1.407 -1.361) 4.010 3.797 ( 0.833 1.409 -0.720) 1.788 3.865 ( 2.460 4.465 -0.308) 5.108 3.973 ( -0.124 -0.390 -2.110) 2.149 4.004 ( 0.904 -0.622 -0.694) 1.299 4.047 ( 0.139 1.560 -2.467) 2.922 4.121 ( 1.615 2.066 -1.032) 2.819 4.239 ( 0.521 -1.021 2.272) 2.545 4.325 ( -1.460 -1.010 -2.490) 3.058 4.345 ( -0.947 -1.924 1.232) 2.473 4.364 ( 0.494 -1.555 1.757) 2.397 4.426 ( 1.086 0.106 -0.580) 1.235 4.471 ( -2.195 0.807 0.489) 2.389 4.488 ( 0.916 0.581 -0.061) 1.087 4.526 ( 0.097 2.248 -0.198) 2.259 4.581 ( 0.469 1.523 1.679) 2.315 4.621 ( -1.104 2.922 2.236) 3.841 4.692 ( 0.471 1.517 -1.994) 2.550 4.733 ( 1.559 1.005 0.721) 1.990 4.780 ( -2.662 0.651 -1.462) 3.106 4.798 ( 1.153 -0.123 0.416) 1.232 4.832 ( 0.424 0.520 0.307) 0.738 4.924 ( -1.994 0.614 2.716) 3.425 4.986 ( 0.391 -2.422 -0.980) 2.642 5.109 ( 1.631 -0.240 -3.716) 4.065 5.192 ( -0.146 1.720 0.611) 1.831 5.252 ( -1.588 -2.113 2.653) 3.745 5.392 ( -0.124 -0.731 1.265) 1.466 5.423 ( 2.993 2.390 -1.096) 3.984 5.540 ( 1.639 0.446 -1.496) 2.263 5.629 ( -4.448 -5.080 1.436) 6.903 5.737 ( 1.514 -3.337 -1.418) 3.929 5.877 ( -0.202 -6.530 -0.665) 6.567 6.070 ( -0.455 -1.738 -0.421) 1.845 6.128 ( 0.246 -3.305 0.251) 3.323 ======================= Grid point 86 (43/91) ======================= q-point: ( 0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 151 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 3.057 9.275 -1.410) 9.867 1.523 ( 1.375 11.275 -0.486) 11.368 1.601 ( 1.610 8.703 -2.546) 9.209 1.657 ( -1.176 0.843 -2.467) 2.860 1.752 ( 1.151 5.236 -5.305) 7.542 1.853 ( -2.491 4.439 -0.957) 5.179 1.907 ( 1.398 1.975 -2.509) 3.485 1.934 ( -2.371 1.878 -2.806) 4.126 2.043 ( 3.208 3.604 0.469) 4.848 2.108 ( 2.082 3.501 -1.210) 4.249 2.168 ( -2.665 2.908 0.896) 4.045 2.289 ( 0.279 1.997 -4.517) 4.946 2.369 ( 0.330 0.032 7.869) 7.876 2.470 ( 0.530 -2.010 4.027) 4.532 2.534 ( 1.051 -4.120 1.136) 4.401 2.610 ( -2.878 2.171 1.436) 3.880 2.789 ( -1.284 4.220 2.237) 4.946 2.897 ( -0.460 -4.329 3.014) 5.295 3.138 ( 1.599 9.515 -0.800) 9.682 3.213 ( -3.253 4.101 2.826) 5.949 3.302 ( -0.955 7.540 -0.658) 7.629 3.385 ( -4.225 4.711 1.467) 6.495 3.439 ( 3.349 7.256 0.633) 8.017 3.481 ( 0.256 6.625 0.678) 6.664 3.516 ( 0.491 -0.626 -0.600) 0.997 3.572 ( -1.827 4.243 -2.789) 5.397 3.820 ( 1.761 2.573 0.018) 3.118 3.882 ( -0.715 5.311 -0.073) 5.359 3.973 ( 1.365 0.432 -1.415) 2.014 4.005 ( 0.593 0.528 -2.195) 2.334 4.060 ( 1.789 -1.017 -0.997) 2.287 4.141 ( 1.418 1.350 -1.706) 2.597 4.258 ( -0.452 -2.011 1.897) 2.801 4.283 ( -1.201 -1.199 0.023) 1.697 4.335 ( -0.681 -1.610 1.402) 2.241 4.388 ( 1.041 -0.451 -0.468) 1.227 4.420 ( -1.433 0.573 -1.458) 2.123 4.436 ( -1.370 0.752 1.580) 2.223 4.480 ( -1.469 1.545 -0.287) 2.151 4.552 ( 1.928 -0.518 -0.089) 1.999 4.589 ( -2.236 1.721 1.715) 3.302 4.608 ( -0.401 2.100 1.950) 2.894 4.670 ( -0.556 0.861 -0.969) 1.410 4.756 ( -0.863 -0.886 0.562) 1.358 4.777 ( 2.228 3.109 0.332) 3.840 4.810 ( 0.480 -0.290 0.370) 0.672 4.866 ( 3.835 2.458 -1.222) 4.717 4.926 ( 0.645 1.195 1.667) 2.150 4.986 ( 0.304 -2.939 -1.285) 3.222 5.110 ( 0.595 0.892 -3.173) 3.349 5.189 ( -0.513 0.091 0.140) 0.539 5.237 ( -1.061 -2.035 1.960) 3.018 5.386 ( -2.051 -0.350 1.301) 2.454 5.461 ( 1.613 2.927 0.138) 3.344 5.545 ( -4.078 -5.481 0.162) 6.834 5.580 ( 3.018 0.214 -1.146) 3.236 5.767 ( 2.237 -3.842 -0.472) 4.471 5.846 ( -2.657 -6.023 -0.717) 6.622 6.065 ( 0.030 -1.670 -0.219) 1.685 6.130 ( -0.083 -3.407 0.159) 3.411 ======================= Grid point 87 (44/91) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 151 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 4.339 8.518 -4.201) 10.442 1.565 ( 0.698 7.351 0.325) 7.391 1.623 ( 2.828 4.326 -0.186) 5.172 1.644 ( 2.489 5.337 -1.874) 6.179 1.737 ( 0.322 4.973 -3.199) 5.922 1.790 ( -4.091 7.892 0.249) 8.892 1.852 ( -2.033 5.023 -4.256) 6.891 1.940 ( 3.036 0.490 -2.822) 4.173 2.046 ( 0.263 5.167 -5.929) 7.869 2.110 ( -1.029 1.332 -3.418) 3.810 2.191 ( 1.478 1.553 6.352) 6.704 2.237 ( -2.291 1.780 -5.152) 5.912 2.405 ( -2.550 -0.351 9.086) 9.443 2.527 ( -2.014 -4.268 3.440) 5.839 2.539 ( 2.044 -3.643 4.475) 6.122 2.605 ( 1.936 2.872 1.899) 3.951 2.761 ( -2.674 4.964 0.006) 5.639 2.902 ( -1.149 -2.718 2.801) 4.069 3.148 ( -0.317 4.434 -0.063) 4.446 3.190 ( -0.195 8.460 -0.663) 8.488 3.277 ( -2.343 4.359 2.448) 5.521 3.322 ( -1.664 7.456 -1.100) 7.718 3.472 ( 0.927 0.764 0.047) 1.202 3.515 ( -0.168 0.961 0.227) 1.001 3.537 ( 0.149 7.200 -3.271) 7.910 3.544 ( 3.951 8.678 1.913) 9.725 3.837 ( -0.696 2.168 -0.086) 2.278 3.854 ( -0.828 6.705 -1.543) 6.930 3.997 ( 1.381 1.123 -0.625) 1.887 4.007 ( 1.325 0.922 -2.304) 2.813 4.072 ( 1.069 -0.033 -1.650) 1.966 4.155 ( 0.012 -0.034 -0.349) 0.350 4.246 ( -1.358 -1.683 1.121) 2.436 4.282 ( -0.276 -0.181 1.896) 1.924 4.331 ( -1.111 -1.295 -0.127) 1.711 4.379 ( -0.779 -0.582 -0.222) 0.997 4.392 ( -0.032 -0.160 -1.881) 1.888 4.428 ( -0.514 -0.524 1.379) 1.562 4.471 ( 0.617 1.320 0.336) 1.496 4.553 ( -1.469 1.214 0.509) 1.973 4.584 ( 1.201 0.928 0.921) 1.776 4.618 ( 0.035 0.897 1.375) 1.642 4.665 ( -0.112 1.246 0.504) 1.349 4.725 ( -2.568 -0.211 0.599) 2.646 4.797 ( -0.025 0.877 0.332) 0.938 4.833 ( 0.275 2.007 1.406) 2.465 4.925 ( 2.371 2.157 0.322) 3.221 4.980 ( 0.266 -3.387 -1.919) 3.902 4.984 ( 5.994 1.965 -1.624) 6.513 5.091 ( -0.604 1.484 -2.098) 2.640 5.173 ( -1.125 -3.345 -0.826) 3.624 5.238 ( -0.496 -0.575 0.795) 1.100 5.329 ( -4.254 -0.387 1.134) 4.419 5.454 ( -1.120 0.703 -2.197) 2.564 5.521 ( -0.184 -0.693 3.915) 3.980 5.643 ( 4.226 -0.821 -1.269) 4.488 5.787 ( -3.098 -5.857 -0.553) 6.649 5.801 ( 1.580 -4.474 0.028) 4.745 6.070 ( 0.484 -1.961 0.395) 2.058 6.126 ( -0.412 -3.133 -0.229) 3.168 ======================= Grid point 88 (45/91) ======================= q-point: (-0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 151 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 2.255 9.728 -3.946) 10.738 1.524 ( -3.504 6.485 -0.820) 7.417 1.671 ( 2.199 5.057 0.476) 5.535 1.692 ( 0.153 3.801 0.091) 3.805 1.736 ( -0.080 5.701 -0.398) 5.716 1.777 ( 4.254 6.575 -1.762) 8.027 1.826 ( 3.181 3.386 -2.770) 5.409 1.982 ( 1.224 4.688 -1.628) 5.112 2.013 ( 1.554 5.190 -8.011) 9.671 2.037 ( -0.498 -2.442 -8.235) 8.604 2.151 ( -5.221 2.401 0.753) 5.795 2.258 ( 1.542 1.079 3.259) 3.763 2.401 ( -2.840 -0.505 7.040) 7.608 2.498 ( -2.750 -3.320 4.807) 6.457 2.611 ( 1.512 -1.659 4.898) 5.387 2.661 ( -2.258 6.074 2.058) 6.799 2.711 ( 0.474 1.756 2.141) 2.810 2.889 ( -0.901 -4.218 -0.877) 4.401 3.121 ( -2.064 9.699 -1.807) 10.079 3.180 ( -0.159 4.513 1.157) 4.662 3.293 ( 1.523 1.101 2.039) 2.773 3.316 ( 2.122 9.922 -1.101) 10.206 3.488 ( 0.601 -1.154 0.409) 1.364 3.506 ( -0.806 4.321 0.139) 4.397 3.513 ( -1.732 8.808 0.253) 8.980 3.632 ( 4.328 5.768 0.255) 7.216 3.813 ( -0.886 2.002 -0.153) 2.194 3.831 ( -0.613 5.538 -3.171) 6.411 3.998 ( -0.034 0.406 -1.008) 1.087 4.024 ( 0.989 0.982 -1.380) 1.961 4.092 ( 1.743 2.397 -1.503) 3.323 4.114 ( -3.354 0.144 -0.458) 3.388 4.239 ( -0.407 -0.738 0.675) 1.080 4.288 ( 0.149 -1.332 1.886) 2.313 4.313 ( -0.131 -1.034 0.003) 1.042 4.362 ( 0.222 -0.520 -1.469) 1.574 4.409 ( 1.167 -1.112 -0.656) 1.741 4.436 ( 0.513 -0.073 1.375) 1.470 4.490 ( 0.766 0.544 0.790) 1.228 4.544 ( 0.629 2.192 -0.659) 2.374 4.605 ( -0.901 1.171 2.686) 3.065 4.622 ( -0.601 0.986 1.544) 1.928 4.672 ( 0.732 0.333 -0.250) 0.842 4.688 ( -1.328 0.832 0.695) 1.714 4.779 ( -1.823 2.547 -0.431) 3.161 4.832 ( -0.490 0.162 1.055) 1.175 4.951 ( -0.029 0.206 0.082) 0.223 4.978 ( -0.184 -1.476 -0.418) 1.545 5.009 ( -2.716 1.667 -1.905) 3.713 5.126 ( 5.389 0.649 -0.518) 5.452 5.131 ( -1.713 -3.409 -2.538) 4.582 5.227 ( -0.471 0.104 0.289) 0.562 5.306 ( 1.301 -0.695 0.761) 1.660 5.426 ( -1.220 0.993 -0.632) 1.695 5.537 ( -0.462 0.735 1.976) 2.159 5.687 ( 0.395 -1.258 0.590) 1.445 5.749 ( -0.292 -5.811 -1.496) 6.008 5.827 ( 1.662 -5.791 0.239) 6.029 6.084 ( 0.468 -2.412 1.094) 2.689 6.114 ( -0.347 -2.582 -0.838) 2.736 ======================= Grid point 89 (46/91) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 151 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -4.760 9.960 0.670) 11.059 1.509 ( 1.773 11.436 -2.367) 11.812 1.670 ( -1.409 4.367 -2.614) 5.281 1.698 ( -0.223 4.765 -0.809) 4.838 1.745 ( 2.066 2.750 -3.008) 4.570 1.816 ( 3.386 3.162 -0.326) 4.645 1.901 ( 2.870 4.890 -4.618) 7.313 1.956 ( 1.059 4.254 -2.369) 4.983 1.984 ( 1.022 -0.156 -3.206) 3.369 2.071 ( -2.228 4.491 0.216) 5.017 2.096 ( 6.309 0.848 -3.733) 7.380 2.276 ( -0.775 1.738 0.882) 2.098 2.410 ( -0.746 -1.252 6.455) 6.618 2.489 ( -2.599 -1.945 5.474) 6.364 2.546 ( -7.095 1.204 -0.963) 7.260 2.656 ( 0.034 4.091 4.353) 5.974 2.781 ( 1.216 4.374 4.698) 6.533 2.862 ( -0.364 -8.419 -2.133) 8.693 3.085 ( 0.340 12.251 -2.412) 12.491 3.214 ( 2.004 2.830 3.374) 4.838 3.305 ( 0.203 7.414 -0.475) 7.432 3.382 ( 3.291 5.124 0.822) 6.145 3.467 ( -3.936 8.969 1.861) 9.970 3.491 ( 0.110 0.677 -1.315) 1.483 3.498 ( -0.652 3.728 1.510) 4.075 3.678 ( 0.048 2.468 0.281) 2.484 3.803 ( -0.393 3.231 -2.177) 3.915 3.821 ( 2.287 3.034 -0.962) 3.919 3.991 ( -0.030 -0.579 -0.909) 1.078 4.010 ( -1.300 -0.099 -1.823) 2.241 4.066 ( -0.407 1.981 -2.327) 3.083 4.107 ( 0.632 2.489 -0.774) 2.682 4.230 ( -0.909 -0.980 1.485) 1.998 4.321 ( 1.719 -0.882 0.717) 2.061 4.329 ( 1.473 -0.626 0.524) 1.685 4.370 ( 0.335 -2.106 0.660) 2.233 4.410 ( 0.314 -0.778 -1.810) 1.995 4.457 ( 1.211 0.629 0.402) 1.423 4.500 ( -0.720 1.080 1.904) 2.304 4.559 ( -0.795 0.970 -0.465) 1.337 4.566 ( -1.407 2.307 -0.186) 2.709 4.623 ( -1.108 2.235 2.832) 3.774 4.681 ( 1.385 1.036 -1.760) 2.467 4.702 ( 1.176 1.276 1.440) 2.255 4.764 ( 0.763 1.884 0.402) 2.072 4.831 ( -0.404 -0.487 0.638) 0.899 4.885 ( -6.092 -0.892 -1.739) 6.398 4.947 ( -1.738 0.451 1.617) 2.416 4.989 ( -0.091 -1.373 -0.692) 1.540 5.107 ( 0.859 -0.755 -3.308) 3.500 5.185 ( 0.658 2.103 1.039) 2.436 5.241 ( 1.329 -2.323 1.272) 2.964 5.360 ( 3.835 -0.413 -0.580) 3.901 5.402 ( -0.983 1.297 -0.001) 1.628 5.533 ( -0.201 1.127 -0.128) 1.152 5.677 ( -2.381 -3.878 2.613) 5.247 5.736 ( 0.202 -3.780 -2.738) 4.672 5.863 ( 1.915 -6.651 -0.235) 6.925 6.084 ( -0.799 -2.240 0.024) 2.378 6.117 ( 0.774 -2.778 0.050) 2.885 ======================= Grid point 90 (47/91) ======================= q-point: ( 0.00 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -1.220 6.719 -0.393) 6.840 1.666 ( 0.329 0.027 -1.576) 1.610 1.707 ( -0.455 1.186 -0.679) 1.441 1.735 ( -0.559 3.303 -3.379) 4.758 1.837 ( 1.785 4.264 -1.718) 4.932 1.852 ( 0.321 1.473 0.609) 1.626 1.939 ( -1.420 1.001 0.146) 1.743 2.025 ( 1.305 -0.484 -1.631) 2.144 2.058 ( 4.180 3.279 -2.786) 5.999 2.155 ( 2.123 1.010 1.409) 2.741 2.181 ( 2.785 2.296 -2.472) 4.374 2.311 ( -1.272 1.396 -1.229) 2.253 2.356 ( -2.752 -1.328 3.766) 4.849 2.427 ( -0.731 -3.385 1.769) 3.889 2.468 ( -3.418 -1.200 0.426) 3.648 2.557 ( 0.104 -7.440 -1.708) 7.635 2.850 ( 1.049 3.268 4.055) 5.313 2.878 ( 0.035 2.113 4.296) 4.787 3.215 ( 0.768 1.997 -1.200) 2.453 3.286 ( -1.041 -0.820 2.464) 2.798 3.439 ( -2.655 2.133 0.326) 3.421 3.454 ( -1.022 1.221 0.618) 1.707 3.519 ( 0.687 3.926 0.912) 4.089 3.603 ( -3.179 4.315 1.382) 5.535 3.625 ( 3.946 5.914 -0.315) 7.117 3.693 ( -2.502 4.123 0.776) 4.885 3.841 ( 1.040 3.060 -3.941) 5.097 3.926 ( 3.147 0.945 -1.341) 3.549 3.989 ( 0.406 1.346 0.230) 1.424 3.994 ( 0.065 -0.250 0.184) 0.317 4.089 ( -0.185 2.108 -3.439) 4.038 4.168 ( 1.149 1.913 -1.798) 2.866 4.243 ( -1.476 0.213 3.948) 4.221 4.290 ( -1.178 -0.625 0.363) 1.383 4.319 ( -0.533 -1.443 0.739) 1.707 4.340 ( 0.700 0.376 -1.110) 1.366 4.465 ( 0.903 2.581 -0.805) 2.851 4.488 ( 0.926 0.434 -0.240) 1.051 4.516 ( -0.306 3.152 0.835) 3.275 4.569 ( -1.325 1.195 1.171) 2.134 4.596 ( 0.075 0.163 1.166) 1.180 4.672 ( -0.549 1.899 1.900) 2.742 4.688 ( -1.337 -1.350 -2.159) 2.876 4.730 ( 0.683 -1.225 -0.131) 1.409 4.802 ( 0.869 1.639 -0.529) 1.929 4.819 ( 1.015 1.818 -0.897) 2.268 4.847 ( 1.391 0.321 0.606) 1.551 4.913 ( 0.004 -1.557 0.488) 1.632 4.979 ( -1.893 2.010 0.309) 2.778 5.086 ( 1.099 -1.355 -3.173) 3.621 5.215 ( -0.966 -0.265 1.364) 1.693 5.219 ( -0.824 -0.684 0.912) 1.407 5.363 ( 0.090 -1.924 0.732) 2.061 5.418 ( 3.062 -4.444 -2.746) 6.054 5.533 ( -2.137 1.385 1.859) 3.153 5.594 ( -0.558 1.566 -0.161) 1.670 5.669 ( 0.551 -3.345 -0.426) 3.417 5.748 ( -0.063 -5.595 -0.077) 5.596 6.054 ( -0.162 -0.157 -0.218) 0.314 6.079 ( 0.042 -1.551 0.075) 1.554 ======================= Grid point 91 (48/91) ======================= q-point: ( 0.20 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 1.909 6.243 -1.928) 6.808 1.650 ( -0.673 -0.714 -2.048) 2.271 1.703 ( 0.567 1.438 -1.009) 1.846 1.717 ( 0.536 5.839 -2.047) 6.210 1.841 ( -0.061 4.002 -1.252) 4.194 1.870 ( 1.303 -0.636 0.291) 1.479 1.918 ( -0.309 1.298 -2.267) 2.631 2.003 ( -2.381 1.336 -0.249) 2.742 2.116 ( 3.465 2.840 -3.239) 5.529 2.169 ( -0.856 2.951 2.532) 3.982 2.209 ( -0.145 0.303 -1.657) 1.691 2.278 ( 0.544 -0.737 -3.609) 3.724 2.365 ( -0.241 -4.259 5.886) 7.269 2.396 ( -3.210 -1.468 3.309) 4.838 2.448 ( 0.679 -2.277 -0.675) 2.470 2.558 ( -0.340 -4.579 1.283) 4.767 2.869 ( 0.478 3.639 -0.360) 3.688 2.910 ( -0.438 2.293 5.247) 5.743 3.216 ( -1.030 1.218 1.076) 1.925 3.268 ( -1.531 0.285 1.780) 2.366 3.402 ( -1.287 1.725 -1.193) 2.460 3.446 ( -0.212 1.389 -0.933) 1.686 3.505 ( -2.167 3.173 3.243) 5.028 3.545 ( -3.062 2.915 -0.126) 4.230 3.680 ( 2.700 4.542 -3.183) 6.168 3.711 ( 2.293 9.969 2.679) 10.574 3.855 ( 2.265 0.552 -2.370) 3.325 3.948 ( -0.229 0.597 -1.039) 1.220 4.001 ( 1.076 0.414 0.185) 1.167 4.023 ( 2.772 0.553 0.551) 2.880 4.067 ( 0.196 2.667 -3.197) 4.168 4.172 ( 0.522 1.021 -2.933) 3.149 4.236 ( -1.092 -0.044 2.402) 2.639 4.276 ( -0.507 0.786 1.483) 1.753 4.304 ( -0.964 -1.166 0.858) 1.739 4.358 ( 0.980 -1.708 0.462) 2.023 4.449 ( -2.483 1.740 0.650) 3.101 4.487 ( -3.082 3.562 -0.478) 4.734 4.494 ( -0.550 0.512 0.343) 0.826 4.575 ( 1.832 2.720 -0.146) 3.282 4.607 ( -0.297 0.239 -0.548) 0.668 4.639 ( -0.488 0.437 1.120) 1.297 4.686 ( -0.419 0.889 0.330) 1.037 4.734 ( -0.462 -1.307 0.519) 1.480 4.818 ( 0.566 1.875 -1.423) 2.421 4.848 ( 2.843 2.619 0.677) 3.924 4.889 ( 2.841 -0.491 -0.267) 2.895 4.937 ( 2.366 -1.162 0.295) 2.652 4.952 ( -0.885 1.428 -0.664) 1.806 5.095 ( 1.978 -1.737 -3.053) 4.031 5.188 ( -2.715 -0.747 -0.246) 2.827 5.202 ( -1.465 -1.504 1.796) 2.763 5.362 ( -1.242 -1.733 0.597) 2.214 5.419 ( -1.128 -5.238 -0.581) 5.390 5.528 ( 0.588 3.002 1.369) 3.351 5.598 ( 1.215 1.541 -0.657) 2.070 5.685 ( 1.369 -3.981 -0.261) 4.218 5.731 ( -1.744 -4.836 -0.073) 5.141 6.050 ( -0.113 -0.052 -0.146) 0.192 6.080 ( -0.020 -1.635 0.064) 1.636 ======================= Grid point 92 (49/91) ======================= q-point: ( 0.40 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 3.764 5.216 -3.281) 7.221 1.629 ( 0.086 1.222 -2.742) 3.003 1.709 ( 0.819 0.745 -1.232) 1.656 1.733 ( 1.982 4.757 0.139) 5.155 1.831 ( 0.084 3.948 -1.754) 4.321 1.875 ( -0.604 -0.509 -1.301) 1.522 1.923 ( 2.300 0.874 -1.077) 2.686 1.955 ( -2.636 3.485 0.377) 4.386 2.091 ( -1.925 -0.641 -4.941) 5.341 2.154 ( -1.898 2.016 -5.392) 6.062 2.212 ( 1.150 1.254 4.767) 5.062 2.259 ( -1.658 1.299 -1.476) 2.572 2.366 ( -1.906 -4.358 6.220) 7.830 2.430 ( 1.850 -4.027 4.173) 6.087 2.457 ( 0.446 -1.112 1.458) 1.887 2.565 ( 0.211 -4.545 2.565) 5.223 2.862 ( -1.548 3.986 -0.731) 4.338 2.912 ( -1.280 1.654 0.526) 2.157 3.202 ( -1.526 1.849 3.362) 4.129 3.272 ( 0.824 -0.167 1.559) 1.771 3.373 ( -1.432 4.691 -1.448) 5.114 3.439 ( 1.023 2.870 -1.731) 3.504 3.499 ( -0.982 4.130 1.586) 4.531 3.516 ( 0.089 -0.818 1.138) 1.404 3.693 ( 0.630 5.872 -1.997) 6.234 3.761 ( 1.802 9.599 1.182) 9.838 3.856 ( -1.024 -0.740 -1.899) 2.281 3.936 ( 0.834 0.826 -2.852) 3.084 4.018 ( 0.492 0.678 0.290) 0.886 4.054 ( 0.059 0.829 -1.543) 1.753 4.092 ( 3.710 2.343 0.609) 4.430 4.162 ( 0.302 0.526 -2.042) 2.130 4.235 ( -0.309 0.842 1.367) 1.635 4.270 ( -2.072 -0.274 3.000) 3.656 4.307 ( 0.151 -0.463 -0.347) 0.598 4.379 ( 1.643 -0.603 0.184) 1.760 4.397 ( -4.164 0.534 1.116) 4.344 4.418 ( -2.324 0.086 1.340) 2.684 4.500 ( 0.255 2.494 0.197) 2.514 4.587 ( 0.196 1.124 -1.391) 1.799 4.612 ( 1.809 3.133 -1.419) 3.886 4.653 ( 0.184 1.461 1.862) 2.374 4.679 ( -0.299 0.475 0.020) 0.562 4.718 ( -1.633 -0.790 0.955) 2.050 4.816 ( 0.194 1.486 -0.689) 1.649 4.890 ( 0.065 3.318 0.738) 3.400 4.917 ( 0.190 -2.633 -1.487) 3.030 4.957 ( 2.464 1.358 -0.183) 2.819 5.007 ( 6.344 -0.142 -2.016) 6.659 5.102 ( 0.107 -1.524 -1.667) 2.261 5.118 ( -4.397 -1.049 -1.788) 4.861 5.198 ( -0.306 -3.344 2.247) 4.040 5.322 ( -2.621 -0.008 0.617) 2.693 5.410 ( -0.480 -3.478 1.140) 3.691 5.550 ( 0.561 2.404 1.334) 2.806 5.627 ( 2.476 -0.305 -0.910) 2.656 5.691 ( -2.366 -3.388 -0.244) 4.140 5.706 ( 0.849 -4.497 -0.076) 4.577 6.050 ( 0.128 -0.186 0.192) 0.296 6.079 ( -0.108 -1.576 -0.070) 1.581 ======================= Grid point 93 (50/91) ======================= q-point: (-0.40 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -0.061 3.354 -2.246) 4.037 1.632 ( 3.133 4.423 -2.727) 6.068 1.715 ( 0.666 0.067 -1.138) 1.320 1.777 ( 1.874 2.824 1.690) 3.787 1.821 ( -0.324 1.446 -2.386) 2.809 1.847 ( -1.125 3.155 -1.747) 3.778 1.926 ( 0.712 5.526 -0.477) 5.592 1.975 ( 3.620 -1.621 -2.004) 4.443 2.037 ( 0.270 -0.578 -4.861) 4.903 2.073 ( -4.136 0.230 -1.947) 4.577 2.213 ( -1.909 2.995 -0.913) 3.667 2.265 ( 1.745 0.842 3.186) 3.729 2.387 ( -0.374 -1.141 4.140) 4.310 2.441 ( -1.162 -1.603 3.109) 3.686 2.501 ( 0.928 -4.727 2.152) 5.276 2.604 ( 1.631 -7.209 2.979) 7.969 2.804 ( -3.670 4.489 0.159) 5.801 2.879 ( -2.158 0.967 -0.496) 2.416 3.208 ( 0.024 1.578 2.356) 2.836 3.290 ( -1.440 0.924 1.488) 2.267 3.364 ( 3.511 6.925 -1.651) 7.938 3.459 ( 1.091 2.248 0.457) 2.540 3.492 ( -0.057 3.440 -0.318) 3.455 3.548 ( 1.470 0.603 2.432) 2.906 3.679 ( -1.217 5.749 -0.965) 5.955 3.781 ( -0.848 6.323 1.477) 6.548 3.833 ( 1.325 0.670 -2.933) 3.287 3.920 ( -0.549 1.408 -4.494) 4.741 4.016 ( -0.897 0.858 0.204) 1.258 4.041 ( -1.167 0.751 -0.218) 1.405 4.128 ( -0.503 0.904 -0.656) 1.225 4.163 ( 1.590 3.244 -1.317) 3.846 4.236 ( -1.343 0.037 2.570) 2.900 4.262 ( 0.495 0.593 1.544) 1.727 4.297 ( 0.013 -0.697 0.086) 0.702 4.342 ( -2.033 -0.321 0.724) 2.182 4.414 ( 1.663 -0.479 -0.216) 1.744 4.436 ( 2.046 0.516 2.009) 2.913 4.502 ( -0.146 1.711 0.386) 1.760 4.582 ( 0.322 0.677 -1.766) 1.918 4.633 ( 1.136 3.264 -0.933) 3.580 4.660 ( -1.675 0.944 2.455) 3.119 4.677 ( 1.193 1.141 -1.226) 2.057 4.702 ( -0.764 -0.435 1.866) 2.063 4.814 ( -0.186 1.336 -0.954) 1.652 4.862 ( -2.181 2.320 0.113) 3.186 4.898 ( -0.917 -2.660 -2.416) 3.709 5.002 ( 0.197 1.177 0.615) 1.343 5.012 ( -4.172 -1.378 -1.829) 4.759 5.091 ( 0.999 0.402 -0.910) 1.410 5.122 ( 5.432 -1.129 -1.538) 5.758 5.212 ( 0.328 -2.332 1.748) 2.933 5.301 ( 0.220 0.393 0.184) 0.486 5.404 ( -1.047 -3.080 1.107) 3.436 5.560 ( -0.356 1.798 1.299) 2.247 5.650 ( -2.062 -1.981 0.124) 2.862 5.664 ( 1.824 -2.063 -0.898) 2.896 5.716 ( 0.629 -4.881 -0.141) 4.923 6.056 ( 0.236 -0.509 0.415) 0.698 6.076 ( -0.094 -1.316 -0.228) 1.339 ======================= Grid point 94 (51/91) ======================= q-point: (-0.20 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -2.074 5.792 -0.556) 6.178 1.659 ( 1.532 2.653 -1.732) 3.519 1.717 ( 0.124 0.080 -0.931) 0.943 1.776 ( -1.745 -0.954 -3.190) 3.759 1.815 ( 1.798 5.346 -0.986) 5.726 1.837 ( 0.192 3.894 1.259) 4.096 1.969 ( 2.365 1.580 -1.171) 3.076 1.990 ( -1.309 0.373 -1.594) 2.096 2.012 ( 3.985 0.789 -6.032) 7.272 2.080 ( 3.772 -1.528 1.699) 4.410 2.184 ( -0.616 5.194 -1.645) 5.483 2.306 ( 0.697 1.341 2.351) 2.795 2.390 ( -1.288 -0.340 1.767) 2.212 2.439 ( -1.900 -2.875 2.664) 4.356 2.500 ( -1.651 -2.807 1.907) 3.774 2.601 ( -2.271 -8.219 -2.676) 8.937 2.797 ( 1.472 2.798 3.569) 4.768 2.856 ( -0.898 1.433 3.682) 4.051 3.216 ( 0.346 2.242 -1.705) 2.838 3.275 ( -0.472 1.527 2.498) 2.966 3.445 ( 3.790 4.353 0.545) 5.797 3.472 ( 0.783 2.613 -0.527) 2.779 3.488 ( -1.394 2.450 1.835) 3.363 3.577 ( 0.707 2.233 1.327) 2.692 3.644 ( -2.046 6.528 0.247) 6.846 3.751 ( -3.405 3.356 1.412) 4.985 3.864 ( 2.111 2.248 -5.142) 5.996 3.876 ( 0.881 1.834 -2.161) 2.968 3.995 ( -1.177 0.529 -0.138) 1.298 4.010 ( -1.800 0.688 0.246) 1.943 4.110 ( 0.040 1.656 -2.946) 3.380 4.167 ( 0.147 2.689 -1.540) 3.102 4.238 ( -1.046 0.931 4.427) 4.643 4.290 ( 1.167 -0.836 0.512) 1.524 4.306 ( -0.064 -1.983 1.842) 2.707 4.339 ( 1.032 1.007 -0.738) 1.620 4.444 ( 2.191 1.880 -2.019) 3.523 4.465 ( 0.690 0.971 1.004) 1.558 4.512 ( 0.361 0.271 1.550) 1.614 4.576 ( -0.187 0.206 -0.380) 0.471 4.616 ( -2.403 2.602 0.483) 3.574 4.655 ( 0.796 1.412 -0.220) 1.636 4.703 ( 1.170 0.879 0.338) 1.502 4.711 ( 0.496 -0.703 1.340) 1.592 4.802 ( 0.373 1.507 -1.097) 1.901 4.838 ( -1.471 0.340 -0.721) 1.673 4.850 ( -2.295 -1.027 -1.562) 2.960 4.929 ( -2.292 -1.672 -0.099) 2.839 5.008 ( -1.363 2.679 0.677) 3.081 5.090 ( 0.476 -0.356 -2.150) 2.231 5.197 ( 2.633 -1.339 0.752) 3.049 5.220 ( -0.339 0.228 0.931) 1.017 5.337 ( 3.296 -1.746 -0.701) 3.796 5.391 ( -0.286 -3.057 0.002) 3.070 5.554 ( -1.102 1.397 1.100) 2.092 5.618 ( -1.887 -0.572 0.442) 2.021 5.671 ( -0.062 -2.946 -0.890) 3.078 5.735 ( 1.329 -5.377 -0.029) 5.539 6.058 ( -0.174 -0.465 0.002) 0.496 6.076 ( 0.226 -1.338 0.023) 1.357 ======================= Grid point 95 (52/91) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -0.941 -2.155 -1.262) 2.668 1.640 ( -0.941 2.155 -1.262) 2.668 1.723 ( 0.056 -1.812 0.478) 1.875 1.723 ( 0.056 1.812 0.478) 1.875 1.916 ( 0.164 -2.694 -1.037) 2.891 1.916 ( 0.164 2.694 -1.037) 2.891 1.965 ( 0.303 -4.685 -1.048) 4.811 1.965 ( 0.303 4.685 -1.048) 4.811 2.112 ( 4.688 -2.193 -1.757) 5.466 2.112 ( 4.688 2.193 -1.757) 5.466 2.280 ( -1.500 -4.559 0.725) 4.854 2.280 ( -1.500 4.559 0.725) 4.854 2.358 ( -2.175 -2.803 -0.771) 3.631 2.358 ( -2.175 2.803 -0.771) 3.631 2.468 ( -0.185 -1.857 0.604) 1.962 2.468 ( -0.185 1.857 0.604) 1.962 2.895 ( 1.067 -0.736 4.473) 4.657 2.895 ( 1.067 0.736 4.473) 4.657 3.252 ( -0.679 -1.864 0.427) 2.029 3.252 ( -0.679 1.864 0.427) 2.029 3.459 ( -2.205 -0.532 1.062) 2.505 3.459 ( -2.205 0.532 1.062) 2.505 3.599 ( 0.198 -2.925 0.246) 2.942 3.599 ( 0.198 2.925 0.246) 2.942 3.718 ( 0.045 -2.497 -0.265) 2.511 3.718 ( 0.045 2.497 -0.265) 2.511 3.910 ( 2.235 -2.405 -3.512) 4.808 3.910 ( 2.235 2.405 -3.512) 4.808 3.995 ( -0.248 -0.394 0.672) 0.818 3.995 ( -0.248 0.394 0.672) 0.818 4.151 ( -0.273 -3.166 -0.891) 3.300 4.151 ( -0.272 3.166 -0.891) 3.300 4.265 ( -0.535 -2.306 2.228) 3.250 4.265 ( -0.535 2.306 2.228) 3.250 4.334 ( -0.515 -2.218 -1.753) 2.874 4.334 ( -0.515 2.218 -1.753) 2.874 4.494 ( 0.445 -0.145 0.966) 1.074 4.494 ( 0.445 0.145 0.966) 1.074 4.565 ( 2.010 -0.819 1.310) 2.535 4.565 ( 2.010 0.819 1.310) 2.535 4.636 ( -3.060 -3.553 -0.453) 4.711 4.636 ( -3.060 3.553 -0.453) 4.711 4.702 ( 0.471 -1.167 0.337) 1.303 4.702 ( 0.471 1.167 0.337) 1.303 4.831 ( 2.094 -0.997 0.042) 2.320 4.831 ( 2.094 0.997 0.042) 2.320 4.872 ( 0.235 -2.263 -0.642) 2.364 4.872 ( 0.235 2.263 -0.642) 2.364 5.045 ( -1.049 -3.200 -1.876) 3.855 5.045 ( -1.049 3.200 -1.876) 3.855 5.208 ( -1.071 -0.522 0.967) 1.535 5.208 ( -1.071 0.522 0.967) 1.535 5.341 ( 1.063 -0.964 -0.204) 1.450 5.341 ( 1.063 0.964 -0.204) 1.450 5.593 ( -0.282 -3.386 0.045) 3.398 5.593 ( -0.282 3.386 0.045) 3.398 5.653 ( 0.023 -3.478 0.141) 3.481 5.653 ( 0.023 3.478 0.141) 3.481 6.058 ( -0.067 -0.562 0.020) 0.566 6.058 ( -0.067 0.562 0.020) 0.566 ======================= Grid point 97 (53/91) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 0.915 -1.635 -2.381) 3.030 1.628 ( 0.915 1.635 -2.381) 3.030 1.729 ( 0.209 -2.272 0.527) 2.342 1.729 ( 0.209 2.272 0.527) 2.342 1.914 ( 0.172 -1.769 -0.881) 1.984 1.914 ( 0.172 1.769 -0.881) 1.984 1.946 ( -1.157 -5.700 -1.719) 6.065 1.946 ( -1.157 5.700 -1.719) 6.065 2.163 ( 1.554 -2.531 -2.247) 3.724 2.163 ( 1.554 2.531 -2.247) 3.724 2.254 ( -1.762 -4.505 3.297) 5.854 2.254 ( -1.762 4.505 3.297) 5.854 2.334 ( -0.415 -3.912 -0.348) 3.949 2.334 ( -0.415 3.912 -0.348) 3.949 2.476 ( 0.267 -3.251 0.920) 3.389 2.476 ( 0.267 3.251 0.920) 3.389 2.923 ( -0.038 -1.160 2.063) 2.367 2.923 ( -0.038 1.160 2.063) 2.367 3.243 ( -1.381 -1.632 2.533) 3.314 3.243 ( -1.381 1.632 2.533) 3.314 3.438 ( 0.093 -1.660 -0.654) 1.787 3.438 ( 0.093 1.660 -0.654) 1.787 3.565 ( -3.032 -1.602 0.451) 3.458 3.565 ( -3.032 1.602 0.451) 3.458 3.762 ( 3.602 -3.182 -0.592) 4.842 3.762 ( 3.602 3.182 -0.592) 4.842 3.912 ( 0.448 -3.777 -3.029) 4.862 3.912 ( 0.448 3.777 -3.029) 4.862 4.012 ( 1.588 -0.813 0.831) 1.968 4.012 ( 1.588 0.813 0.831) 1.968 4.139 ( -0.554 -3.382 -0.902) 3.544 4.139 ( -0.554 3.382 -0.902) 3.544 4.266 ( -0.570 -2.196 1.614) 2.784 4.266 ( -0.570 2.196 1.614) 2.784 4.321 ( 0.200 -2.348 -0.321) 2.378 4.321 ( 0.200 2.348 -0.321) 2.378 4.478 ( -3.242 -1.146 1.240) 3.656 4.478 ( -3.242 1.146 1.240) 3.656 4.579 ( -1.007 -3.255 -0.727) 3.484 4.579 ( -1.007 3.255 -0.727) 3.484 4.629 ( 2.526 -1.290 0.523) 2.884 4.629 ( 2.526 1.290 0.523) 2.884 4.705 ( -0.471 -1.104 0.323) 1.243 4.705 ( -0.471 1.104 0.323) 1.243 4.860 ( 0.651 -1.887 -0.552) 2.071 4.860 ( 0.651 1.887 -0.552) 2.071 4.900 ( 3.412 -2.206 0.320) 4.075 4.900 ( 3.412 2.206 0.320) 4.075 5.027 ( 0.499 -4.789 -2.649) 5.496 5.027 ( 0.499 4.789 -2.649) 5.496 5.177 ( -2.857 -0.249 0.818) 2.983 5.177 ( -2.857 0.249 0.818) 2.983 5.349 ( -0.247 -1.219 0.614) 1.387 5.349 ( -0.247 1.219 0.614) 1.387 5.598 ( 0.786 -3.494 -0.175) 3.585 5.598 ( 0.786 3.494 -0.175) 3.585 5.651 ( -0.321 -2.754 0.129) 2.775 5.651 ( -0.321 2.754 0.129) 2.775 6.057 ( -0.106 -0.671 0.043) 0.681 6.057 ( -0.106 0.671 0.043) 0.681 ======================= Grid point 99 (54/91) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 2.456 -1.040 -3.305) 4.247 1.642 ( 2.456 1.040 -3.305) 4.247 1.734 ( -0.100 -2.798 0.504) 2.845 1.734 ( -0.100 2.798 0.504) 2.845 1.910 ( 0.097 -2.927 -0.502) 2.972 1.910 ( 0.097 2.927 -0.502) 2.972 1.926 ( 0.932 -4.188 -2.847) 5.149 1.926 ( 0.932 4.188 -2.847) 5.149 2.127 ( -3.687 -3.180 -1.669) 5.147 2.127 ( -3.687 3.180 -1.669) 5.147 2.253 ( -1.254 -2.820 3.514) 4.677 2.253 ( -1.254 2.820 3.514) 4.677 2.352 ( 1.998 -3.929 1.743) 4.740 2.352 ( 1.998 3.929 1.743) 4.740 2.483 ( -0.123 -2.989 1.044) 3.168 2.483 ( -0.123 2.989 1.044) 3.168 2.918 ( -1.274 -1.284 -0.858) 2.002 2.918 ( -1.274 1.284 -0.858) 2.002 3.239 ( -1.063 -1.932 3.734) 4.336 3.239 ( -1.063 1.932 3.734) 4.336 3.459 ( 2.097 -3.159 0.435) 3.816 3.459 ( 2.097 3.159 0.435) 3.816 3.520 ( -1.480 -1.835 -1.090) 2.597 3.520 ( -1.480 1.835 -1.090) 2.597 3.793 ( 0.089 -4.066 -0.664) 4.121 3.793 ( 0.089 4.066 -0.664) 4.121 3.907 ( 1.295 -3.740 -3.182) 5.079 3.907 ( 1.295 3.740 -3.182) 5.079 4.042 ( 0.695 -1.184 0.294) 1.404 4.042 ( 0.695 1.184 0.294) 1.404 4.133 ( 0.533 -2.361 0.714) 2.523 4.133 ( 0.533 2.361 0.714) 2.523 4.267 ( -0.261 -1.500 1.216) 1.949 4.267 ( -0.261 1.500 1.216) 1.949 4.336 ( 0.760 -2.858 0.327) 2.975 4.336 ( 0.760 2.858 0.327) 2.975 4.412 ( -3.912 -0.669 1.495) 4.241 4.412 ( -3.912 0.669 1.495) 4.241 4.571 ( 0.361 -2.810 -1.114) 3.044 4.571 ( 0.361 2.810 -1.114) 3.044 4.666 ( 1.253 -0.808 0.595) 1.605 4.666 ( 1.253 0.808 0.595) 1.605 4.694 ( -0.636 -1.142 -0.436) 1.378 4.694 ( -0.636 1.142 -0.436) 1.378 4.861 ( 0.020 -2.670 -0.892) 2.815 4.861 ( 0.020 2.670 -0.892) 2.815 4.978 ( 4.293 -2.495 -0.505) 4.991 4.978 ( 4.293 2.495 -0.505) 4.991 5.009 ( -0.763 -4.842 -2.320) 5.423 5.009 ( -0.763 4.842 -2.320) 5.423 5.136 ( -1.834 -1.930 1.462) 3.038 5.136 ( -1.834 1.930 1.462) 3.038 5.345 ( -0.839 -2.299 1.185) 2.719 5.345 ( -0.839 2.299 1.185) 2.719 5.611 ( 0.667 -3.241 -0.320) 3.324 5.611 ( 0.667 3.241 -0.320) 3.324 5.646 ( -0.237 -0.987 0.059) 1.016 5.646 ( -0.237 0.987 0.059) 1.016 6.056 ( -0.036 -0.692 0.115) 0.702 6.056 ( -0.036 0.692 0.115) 0.702 ======================= Grid point 101 (55/91) ======================= q-point: (-0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 1.941 -1.411 -2.786) 3.677 1.665 ( 1.941 1.411 -2.786) 3.677 1.730 ( -0.619 -2.840 0.441) 2.940 1.730 ( -0.619 2.840 0.441) 2.940 1.923 ( 1.420 -3.995 -0.028) 4.239 1.923 ( 1.420 3.995 -0.028) 4.239 1.937 ( 2.449 -4.678 -4.388) 6.865 1.937 ( 2.449 4.678 -4.388) 6.865 2.043 ( -3.973 -2.283 0.129) 4.584 2.043 ( -3.973 2.283 0.129) 4.584 2.261 ( 0.326 -1.966 1.951) 2.788 2.261 ( 0.326 1.966 1.951) 2.788 2.398 ( 1.220 -2.950 1.794) 3.662 2.398 ( 1.220 2.950 1.794) 3.662 2.488 ( -0.163 -3.437 1.346) 3.695 2.488 ( -0.163 3.437 1.346) 3.695 2.870 ( -2.928 -1.874 -0.437) 3.504 2.870 ( -2.928 1.874 -0.437) 3.504 3.253 ( 0.185 -2.647 2.417) 3.589 3.253 ( 0.185 2.647 2.417) 3.590 3.483 ( -0.363 -2.520 1.432) 2.921 3.483 ( -0.363 2.520 1.432) 2.921 3.526 ( 2.636 -2.076 -0.603) 3.410 3.526 ( 2.636 2.076 -0.603) 3.410 3.776 ( -0.843 -3.691 -1.094) 3.941 3.776 ( -0.843 3.691 -1.094) 3.941 3.901 ( 0.286 -2.942 -3.518) 4.595 3.901 ( 0.286 2.942 -3.518) 4.595 4.036 ( -1.182 -1.211 -0.039) 1.693 4.036 ( -1.182 1.211 -0.039) 1.693 4.160 ( 0.721 -2.208 1.810) 2.944 4.160 ( 0.721 2.208 1.810) 2.944 4.264 ( -1.035 -2.267 0.569) 2.556 4.264 ( -1.035 2.267 0.569) 2.556 4.325 ( -0.561 -2.900 0.701) 3.036 4.325 ( -0.561 2.900 0.701) 3.036 4.414 ( 2.053 -1.456 1.386) 2.873 4.414 ( 2.053 1.456 1.386) 2.873 4.566 ( -0.334 -2.659 -1.226) 2.947 4.566 ( -0.334 2.659 -1.226) 2.947 4.677 ( -0.900 -1.166 0.786) 1.670 4.677 ( -0.900 1.167 0.786) 1.670 4.689 ( 1.103 -1.084 -0.658) 1.680 4.689 ( 1.102 1.084 -0.658) 1.680 4.848 ( -0.664 -2.127 -1.509) 2.691 4.848 ( -0.664 2.127 -1.509) 2.691 4.931 ( -3.791 -4.225 -1.055) 5.773 4.931 ( -3.791 4.225 -1.055) 5.773 5.072 ( 3.779 -3.529 -1.731) 5.453 5.072 ( 3.779 3.529 -1.731) 5.453 5.137 ( 1.094 -3.641 2.065) 4.326 5.137 ( 1.094 3.641 2.065) 4.326 5.334 ( -1.121 -2.821 1.032) 3.206 5.334 ( -1.121 2.821 1.032) 3.206 5.614 ( -0.126 -3.011 -0.232) 3.022 5.614 ( -0.126 3.011 -0.232) 3.022 5.645 ( 0.099 -0.940 0.028) 0.945 5.645 ( 0.099 0.940 0.028) 0.945 6.057 ( 0.045 -0.490 0.137) 0.511 6.057 ( 0.045 0.490 0.137) 0.511 ======================= Grid point 103 (56/91) ======================= q-point: (-0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -0.481 -1.749 -1.416) 2.302 1.665 ( -0.481 1.749 -1.416) 2.302 1.723 ( -0.368 -2.027 0.405) 2.100 1.723 ( -0.368 2.027 0.405) 2.100 1.927 ( -0.345 -4.263 -2.391) 4.900 1.927 ( -0.345 4.263 -2.391) 4.900 1.952 ( 1.500 -3.600 -0.763) 3.974 1.952 ( 1.500 3.600 -0.763) 3.974 2.041 ( 3.649 -1.688 -1.082) 4.163 2.041 ( 3.649 1.688 -1.082) 4.163 2.281 ( 0.419 -3.836 1.324) 4.080 2.281 ( 0.419 3.836 1.324) 4.080 2.402 ( -1.391 -1.457 -0.178) 2.022 2.402 ( -1.391 1.457 -0.178) 2.022 2.481 ( -1.398 -2.533 0.567) 2.949 2.481 ( -1.398 2.533 0.567) 2.949 2.849 ( 0.269 -1.748 3.108) 3.576 2.849 ( 0.269 1.748 3.108) 3.576 3.261 ( -0.486 -2.008 0.698) 2.181 3.261 ( -0.486 2.008 0.698) 2.181 3.484 ( -0.954 -0.923 1.197) 1.787 3.484 ( -0.954 0.923 1.197) 1.787 3.566 ( 2.013 -2.927 0.502) 3.588 3.566 ( 2.013 2.927 0.502) 3.588 3.751 ( -1.971 -3.356 -0.209) 3.898 3.751 ( -1.971 3.356 -0.209) 3.898 3.891 ( 1.824 -0.607 -4.144) 4.569 3.891 ( 1.824 0.608 -4.144) 4.569 4.009 ( -1.646 -0.961 0.481) 1.966 4.009 ( -1.646 0.961 0.481) 1.966 4.164 ( -0.618 -3.023 -0.131) 3.088 4.164 ( -0.618 3.023 -0.131) 3.088 4.258 ( -0.257 -2.110 1.780) 2.772 4.258 ( -0.257 2.110 1.780) 2.772 4.339 ( 0.936 -2.518 -0.266) 2.700 4.339 ( 0.936 2.518 -0.266) 2.700 4.461 ( 2.195 -1.400 0.979) 2.781 4.461 ( 2.195 1.400 0.979) 2.781 4.550 ( -0.507 -2.592 -0.147) 2.645 4.550 ( -0.507 2.592 -0.147) 2.645 4.670 ( -0.388 -2.137 0.144) 2.177 4.670 ( -0.388 2.137 0.144) 2.177 4.698 ( -0.083 -1.327 -0.014) 1.330 4.698 ( -0.083 1.327 -0.014) 1.330 4.820 ( -0.781 -0.598 -1.227) 1.572 4.820 ( -0.781 0.598 -1.227) 1.572 4.882 ( -1.181 -2.519 -0.358) 2.805 4.882 ( -1.181 2.519 -0.358) 2.805 5.077 ( -0.975 -2.291 -1.363) 2.838 5.077 ( -0.975 2.291 -1.363) 2.838 5.193 ( 2.271 -1.878 1.283) 3.213 5.193 ( 2.271 1.878 1.283) 3.213 5.326 ( 0.165 -1.672 0.146) 1.686 5.326 ( 0.165 1.672 0.146) 1.686 5.604 ( -0.795 -2.996 -0.031) 3.100 5.604 ( -0.795 2.996 -0.031) 3.100 5.649 ( 0.283 -2.756 0.081) 2.771 5.649 ( 0.283 2.756 0.081) 2.771 6.059 ( 0.027 -0.431 0.079) 0.439 6.059 ( 0.027 0.431 0.079) 0.439 ======================= Grid point 130 (57/91) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 3.465 0.000 15.414) 15.799 0.699 ( -1.408 0.000 16.062) 16.124 0.915 ( 1.847 0.000 -6.706) 6.956 1.028 ( -2.656 0.000 -12.857) 13.129 1.141 ( -1.151 0.000 -6.189) 6.295 1.244 ( -1.409 0.000 -5.967) 6.131 1.404 ( -3.829 0.000 34.964) 35.173 1.619 ( -1.258 0.000 1.385) 1.871 1.687 ( 2.639 0.000 1.019) 2.828 1.707 ( -1.103 0.000 -0.780) 1.351 1.752 ( -2.937 0.000 -1.229) 3.183 1.987 ( 6.949 0.000 0.593) 6.974 2.040 ( 0.516 0.000 -1.569) 1.652 2.063 ( 5.955 0.000 -5.482) 8.094 2.128 ( -2.122 0.000 -10.955) 11.158 2.149 ( 2.654 0.000 -16.154) 16.371 2.301 ( -0.334 0.000 0.904) 0.964 2.469 ( -5.443 0.000 -0.690) 5.487 2.885 ( -0.498 0.000 1.862) 1.927 3.011 ( 2.152 0.000 1.208) 2.468 3.055 ( -1.696 0.000 0.840) 1.893 3.338 ( 2.493 0.000 -0.033) 2.493 3.445 ( -0.037 0.000 5.402) 5.402 3.624 ( -1.217 0.000 -2.409) 2.699 3.782 ( -0.563 0.000 2.159) 2.231 3.816 ( -0.786 0.000 0.278) 0.834 3.851 ( -0.538 0.000 2.552) 2.608 3.893 ( 0.126 0.000 -1.971) 1.975 3.923 ( 0.166 0.000 0.613) 0.635 3.989 ( 2.471 0.000 3.428) 4.226 3.998 ( -0.193 0.000 0.717) 0.742 4.026 ( -0.142 0.000 0.055) 0.153 4.067 ( 1.228 0.000 -1.568) 1.991 4.073 ( -2.129 0.000 -3.244) 3.880 4.088 ( -0.323 0.000 -0.289) 0.433 4.256 ( -0.437 0.000 0.815) 0.924 4.330 ( -0.440 0.000 -0.208) 0.487 4.333 ( 2.465 0.000 0.071) 2.466 4.340 ( -2.227 0.000 -0.215) 2.238 4.433 ( 1.413 0.000 3.956) 4.201 4.483 ( 2.093 0.000 0.186) 2.102 4.544 ( -0.149 0.000 -0.237) 0.280 4.577 ( 1.981 0.000 -1.305) 2.372 4.592 ( -1.220 0.000 -1.206) 1.715 4.611 ( 0.469 0.000 0.701) 0.844 4.630 ( -0.346 0.000 -0.479) 0.591 4.668 ( -3.238 0.000 -3.069) 4.462 4.751 ( -0.082 0.000 0.095) 0.126 5.073 ( -3.547 0.000 2.536) 4.360 5.120 ( 2.691 0.000 -0.190) 2.698 5.264 ( -2.868 0.000 3.680) 4.666 5.369 ( 1.018 0.000 1.690) 1.973 5.450 ( 3.857 0.000 -1.085) 4.006 5.515 ( -0.251 0.000 -7.709) 7.713 5.555 ( 0.504 0.000 -0.277) 0.575 5.760 ( -0.143 0.000 1.577) 1.583 5.972 ( -1.907 0.000 1.889) 2.684 6.166 ( 1.528 0.000 -0.515) 1.613 6.624 ( -0.117 0.000 5.100) 5.101 6.723 ( -0.686 0.000 -5.225) 5.269 ======================= Grid point 131 (58/91) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 0.874 0.000 11.076) 11.110 0.840 ( 6.155 0.000 -0.272) 6.161 0.933 ( 6.115 0.000 -9.088) 10.954 0.941 ( 0.063 0.000 0.600) 0.603 1.074 ( -3.911 0.000 0.022) 3.911 1.180 ( -3.293 0.000 2.480) 4.123 1.586 ( -3.062 0.000 1.913) 3.611 1.641 ( -2.855 0.000 5.091) 5.837 1.685 ( -0.401 0.000 -1.580) 1.630 1.730 ( 1.321 0.000 -0.246) 1.344 1.744 ( 11.711 0.000 18.317) 21.741 1.866 ( -12.183 0.000 -0.269) 12.186 1.986 ( -1.233 0.000 -15.672) 15.721 2.045 ( 1.096 0.000 -1.457) 1.824 2.106 ( 8.903 0.000 -19.497) 21.434 2.294 ( 8.105 0.000 0.739) 8.139 2.299 ( -0.558 0.000 0.949) 1.100 2.455 ( -4.176 0.000 6.544) 7.763 2.665 ( -13.166 0.000 -0.555) 13.178 3.056 ( 0.551 0.000 2.404) 2.466 3.135 ( 6.949 0.000 -1.636) 7.139 3.327 ( -2.493 0.000 -3.650) 4.420 3.542 ( 5.862 0.000 0.214) 5.865 3.574 ( -3.556 0.000 1.987) 4.073 3.768 ( -3.040 0.000 3.146) 4.375 3.799 ( -0.859 0.000 -0.175) 0.877 3.861 ( -0.355 0.000 2.701) 2.724 3.892 ( 1.041 0.000 -1.696) 1.990 3.947 ( 2.318 0.000 -0.371) 2.348 3.991 ( -2.059 0.000 -2.626) 3.337 3.999 ( -0.202 0.000 0.482) 0.522 4.015 ( -0.856 0.000 -0.247) 0.891 4.061 ( 0.638 0.000 3.409) 3.468 4.075 ( 0.824 0.000 -1.663) 1.856 4.094 ( 0.883 0.000 -0.026) 0.884 4.250 ( -0.867 0.000 0.908) 1.256 4.267 ( -4.227 0.000 0.593) 4.269 4.295 ( -1.975 0.000 -0.451) 2.026 4.379 ( 2.128 0.000 0.125) 2.132 4.428 ( -3.207 0.000 -0.891) 3.328 4.449 ( -1.696 0.000 -1.849) 2.509 4.545 ( 0.189 0.000 0.217) 0.287 4.564 ( 0.340 0.000 -0.892) 0.954 4.610 ( -0.540 0.000 -0.718) 0.899 4.617 ( 0.827 0.000 -2.540) 2.671 4.629 ( 0.242 0.000 0.547) 0.598 4.734 ( 0.112 0.000 1.142) 1.147 4.750 ( 6.485 0.000 2.806) 7.066 5.018 ( -3.853 0.000 3.064) 4.922 5.157 ( 2.115 0.000 -0.513) 2.176 5.273 ( -0.850 0.000 6.145) 6.203 5.371 ( -1.554 0.000 0.028) 1.554 5.440 ( 0.433 0.000 -5.806) 5.822 5.478 ( -0.566 0.000 -2.440) 2.505 5.629 ( 5.594 0.000 -2.058) 5.961 5.795 ( 3.174 0.000 0.141) 3.177 5.956 ( -1.743 0.000 3.794) 4.175 6.173 ( 0.569 0.000 -3.246) 3.296 6.621 ( -4.262 0.000 4.828) 6.440 6.645 ( -3.495 0.000 -2.775) 4.463 ======================= Grid point 132 (59/91) ======================= q-point: ( 0.40 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -4.321 0.000 7.724) 8.851 0.881 ( -2.652 0.000 -0.954) 2.818 0.972 ( 2.746 0.000 -10.592) 10.942 1.027 ( 7.962 0.000 -0.817) 8.004 1.062 ( 3.066 0.000 4.374) 5.341 1.228 ( 6.217 0.000 8.704) 10.696 1.544 ( -4.958 0.000 -2.582) 5.590 1.560 ( -1.230 0.000 3.358) 3.576 1.640 ( -7.502 0.000 -6.026) 9.622 1.664 ( -0.601 0.000 -3.157) 3.214 1.732 ( -0.368 0.000 -0.537) 0.651 1.887 ( -0.788 0.000 -10.893) 10.922 2.059 ( 1.187 0.000 -1.240) 1.716 2.065 ( -20.722 0.000 9.605) 22.840 2.158 ( 12.513 0.000 4.751) 13.385 2.244 ( 11.264 0.000 0.519) 11.276 2.294 ( -0.556 0.000 0.967) 1.116 2.524 ( 3.779 0.000 2.017) 4.284 2.574 ( 3.583 0.000 -1.977) 4.093 3.047 ( -4.275 0.000 -9.135) 10.086 3.219 ( -3.055 0.000 -6.429) 7.118 3.229 ( 2.113 0.000 4.325) 4.814 3.454 ( -4.083 0.000 0.857) 4.172 3.687 ( -5.076 0.000 0.802) 5.139 3.718 ( 7.060 0.000 0.889) 7.116 3.806 ( 0.017 0.000 4.898) 4.898 3.865 ( -0.989 0.000 2.322) 2.524 3.909 ( 1.678 0.000 -1.214) 2.071 3.966 ( -0.797 0.000 -0.787) 1.120 3.976 ( 1.013 0.000 -1.401) 1.728 3.996 ( -0.384 0.000 0.117) 0.401 4.001 ( -0.344 0.000 -0.144) 0.372 4.073 ( -0.460 0.000 2.451) 2.494 4.078 ( 0.388 0.000 -1.152) 1.216 4.107 ( 0.541 0.000 -0.320) 0.629 4.236 ( 0.034 0.000 0.677) 0.678 4.237 ( -0.677 0.000 0.344) 0.759 4.271 ( -0.686 0.000 0.119) 0.696 4.381 ( -1.451 0.000 -1.385) 2.006 4.407 ( 0.837 0.000 0.051) 0.838 4.419 ( -0.197 0.000 -1.018) 1.037 4.535 ( -2.236 0.000 -3.269) 3.961 4.553 ( 0.413 0.000 0.542) 0.681 4.592 ( -1.231 0.000 -1.683) 2.085 4.593 ( -0.670 0.000 -0.860) 1.090 4.636 ( 0.193 0.000 0.381) 0.427 4.739 ( 0.671 0.000 2.022) 2.131 4.880 ( 4.174 0.000 2.232) 4.733 4.988 ( -1.285 0.000 2.122) 2.480 5.190 ( 1.138 0.000 -0.580) 1.278 5.285 ( -2.165 0.000 8.197) 8.479 5.332 ( -1.219 0.000 -1.966) 2.314 5.429 ( -2.604 0.000 -1.059) 2.811 5.458 ( 3.465 0.000 -4.288) 5.513 5.695 ( 3.051 0.000 -2.287) 3.813 5.838 ( 0.146 0.000 1.690) 1.696 5.976 ( 1.867 0.000 3.302) 3.793 6.147 ( -0.164 0.000 -6.255) 6.258 6.561 ( -2.684 0.000 1.178) 2.932 6.586 ( -3.227 0.000 1.748) 3.670 ======================= Grid point 133 (60/91) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -13.405 0.000 9.457) 16.405 0.748 ( -9.508 0.000 11.687) 15.067 0.955 ( 0.928 0.000 -5.051) 5.135 1.150 ( 5.448 0.000 -4.626) 7.147 1.151 ( 8.057 0.000 -12.031) 14.480 1.408 ( -0.486 0.000 -4.907) 4.931 1.484 ( 7.557 0.000 4.887) 9.000 1.558 ( 1.898 0.000 -1.834) 2.639 1.585 ( 0.981 0.000 4.510) 4.615 1.629 ( -0.557 0.000 -3.551) 3.594 1.661 ( -20.429 0.000 15.872) 25.870 1.726 ( -0.089 0.000 0.230) 0.247 1.935 ( 0.586 0.000 2.685) 2.749 2.062 ( 0.071 0.000 -1.549) 1.550 2.294 ( -0.154 0.000 1.009) 1.021 2.335 ( 15.170 0.000 -10.876) 18.666 2.446 ( -3.801 0.000 -1.955) 4.275 2.506 ( 4.677 0.000 5.093) 6.915 2.689 ( -5.773 0.000 -15.283) 16.337 2.880 ( 7.541 0.000 2.035) 7.810 3.153 ( -3.789 0.000 -0.513) 3.823 3.268 ( -1.253 0.000 3.697) 3.904 3.468 ( 3.509 0.000 -0.575) 3.555 3.583 ( -6.462 0.000 6.677) 9.292 3.785 ( 2.396 0.000 -2.671) 3.589 3.858 ( -1.321 0.000 2.377) 2.720 3.890 ( 2.709 0.000 2.299) 3.553 3.912 ( -3.587 0.000 -0.631) 3.642 3.922 ( 0.618 0.000 -1.982) 2.076 3.969 ( -1.358 0.000 0.236) 1.378 3.992 ( -0.088 0.000 0.732) 0.738 4.001 ( 0.458 0.000 -0.283) 0.539 4.072 ( -0.359 0.000 -0.637) 0.732 4.096 ( 2.143 0.000 -0.605) 2.227 4.109 ( 0.043 0.000 -0.549) 0.551 4.242 ( 1.265 0.000 -0.291) 1.298 4.246 ( 0.219 0.000 0.440) 0.491 4.265 ( -0.364 0.000 0.815) 0.893 4.344 ( -2.092 0.000 1.283) 2.454 4.408 ( -0.740 0.000 -0.033) 0.740 4.422 ( 0.718 0.000 -1.117) 1.328 4.503 ( 0.514 0.000 0.300) 0.595 4.561 ( -0.042 0.000 -0.039) 0.057 4.582 ( 1.555 0.000 -0.721) 1.714 4.583 ( 0.080 0.000 0.043) 0.091 4.640 ( 0.045 0.000 0.013) 0.047 4.762 ( 0.687 0.000 -0.221) 0.721 4.909 ( -1.539 0.000 -0.509) 1.621 5.005 ( 2.348 0.000 0.556) 2.413 5.165 ( -4.129 0.000 2.121) 4.642 5.280 ( -2.218 0.000 4.431) 4.956 5.337 ( 0.901 0.000 1.555) 1.797 5.402 ( -0.265 0.000 0.038) 0.268 5.487 ( 3.301 0.000 -5.512) 6.425 5.699 ( -0.812 0.000 -2.826) 2.940 5.824 ( -2.977 0.000 2.903) 4.158 6.030 ( 0.880 0.000 0.842) 1.218 6.102 ( 0.553 0.000 -5.217) 5.246 6.548 ( 0.269 0.000 0.757) 0.804 6.591 ( 2.812 0.000 3.450) 4.451 ======================= Grid point 134 (61/91) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( -7.497 0.000 15.554) 17.267 0.676 ( -7.462 0.000 16.110) 17.754 0.935 ( 0.369 0.000 -4.995) 5.009 1.134 ( -0.392 0.000 -12.296) 12.302 1.179 ( 2.215 0.000 -7.909) 8.213 1.294 ( -4.158 0.000 -1.309) 4.360 1.438 ( -13.352 0.000 15.985) 20.827 1.616 ( 0.631 0.000 -0.738) 0.971 1.635 ( 1.838 0.000 2.852) 3.394 1.696 ( 7.128 0.000 5.587) 9.057 1.725 ( -0.472 0.000 0.286) 0.552 1.758 ( 13.421 0.000 6.544) 14.931 1.975 ( 2.658 0.000 -0.050) 2.658 2.048 ( -0.252 0.000 -1.689) 1.708 2.299 ( -0.063 0.000 0.940) 0.942 2.301 ( -9.717 0.000 -14.705) 17.625 2.311 ( -5.401 0.000 -14.522) 15.494 2.559 ( 4.993 0.000 -4.505) 6.725 2.686 ( 11.731 0.000 -2.245) 11.944 3.001 ( -0.942 0.000 3.359) 3.489 3.116 ( -2.815 0.000 5.316) 6.015 3.282 ( 3.256 0.000 -0.552) 3.302 3.452 ( -4.813 0.000 7.122) 8.596 3.619 ( 3.933 0.000 0.222) 3.940 3.796 ( -1.656 0.000 -1.556) 2.273 3.827 ( -0.902 0.000 -1.198) 1.500 3.851 ( -1.124 0.000 2.467) 2.711 3.909 ( -0.309 0.000 -2.207) 2.229 3.926 ( -1.524 0.000 3.889) 4.177 3.950 ( -0.063 0.000 0.213) 0.222 3.997 ( -0.140 0.000 0.860) 0.871 4.016 ( 1.187 0.000 -0.293) 1.223 4.063 ( -0.113 0.000 -0.527) 0.539 4.101 ( -0.490 0.000 -0.753) 0.899 4.109 ( 0.034 0.000 -2.362) 2.362 4.257 ( -0.077 0.000 0.360) 0.368 4.279 ( 3.692 0.000 -0.027) 3.692 4.285 ( 2.332 0.000 0.419) 2.370 4.368 ( 3.124 0.000 5.583) 6.397 4.382 ( -1.987 0.000 -0.149) 1.992 4.425 ( 0.373 0.000 -0.687) 0.782 4.538 ( 1.773 0.000 1.972) 2.652 4.552 ( -0.400 0.000 -0.550) 0.680 4.595 ( 0.651 0.000 0.863) 1.081 4.619 ( 2.062 0.000 -1.857) 2.775 4.638 ( -0.163 0.000 -0.345) 0.381 4.756 ( -0.355 0.000 -1.658) 1.695 4.816 ( -7.490 0.000 -3.421) 8.234 5.064 ( 4.002 0.000 -1.061) 4.140 5.107 ( -3.529 0.000 3.682) 5.100 5.308 ( 2.720 0.000 3.175) 4.181 5.320 ( -4.500 0.000 3.407) 5.644 5.408 ( 0.811 0.000 0.337) 0.879 5.509 ( 3.101 0.000 -6.148) 6.885 5.635 ( -3.990 0.000 -3.392) 5.237 5.779 ( -3.116 0.000 1.970) 3.686 6.001 ( -1.874 0.000 -0.991) 2.120 6.129 ( 2.365 0.000 0.555) 2.430 6.580 ( 1.615 0.000 3.100) 3.495 6.693 ( 5.996 0.000 -1.324) 6.140 ======================= Grid point 135 (62/91) ======================= q-point: ( 0.00 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 4.719 5.677 15.091) 16.800 0.811 ( -2.713 8.866 14.887) 17.539 1.032 ( -2.955 2.547 -13.423) 13.979 1.046 ( 0.759 9.377 -8.451) 12.646 1.227 ( -1.061 7.130 -1.267) 7.319 1.302 ( -0.907 6.230 -7.267) 9.615 1.539 ( -2.475 10.790 20.172) 23.010 1.658 ( 2.038 1.902 0.363) 2.811 1.725 ( -1.450 5.191 1.219) 5.525 1.801 ( -0.988 8.445 2.883) 8.978 1.861 ( -0.662 9.871 -0.484) 9.905 1.985 ( 6.681 1.275 0.444) 6.816 2.060 ( 0.224 0.482 0.173) 0.559 2.079 ( -0.127 1.513 0.235) 1.536 2.186 ( 1.686 5.542 -3.753) 6.902 2.247 ( 3.265 9.950 -22.776) 25.068 2.398 ( -0.247 8.123 0.794) 8.165 2.496 ( -5.350 2.976 -0.503) 6.143 2.868 ( 1.225 -1.335 1.246) 2.199 3.021 ( -1.841 1.149 0.418) 2.210 3.061 ( -0.020 1.302 1.975) 2.366 3.311 ( 2.190 -3.065 -0.409) 3.789 3.404 ( 1.164 -2.642 5.500) 6.212 3.554 ( -1.519 -5.874 -2.273) 6.479 3.730 ( 0.823 -3.687 1.931) 4.243 3.782 ( -2.783 -2.717 1.443) 4.148 3.831 ( -0.957 -2.478 1.079) 2.867 3.859 ( 2.065 -2.876 -0.962) 3.669 3.938 ( 0.104 -0.782 1.050) 1.313 4.017 ( 0.649 2.572 -0.126) 2.655 4.050 ( -0.826 5.182 -2.377) 5.761 4.086 ( 0.429 0.684 0.710) 1.075 4.111 ( 0.454 6.000 -0.586) 6.045 4.129 ( 0.151 4.858 0.044) 4.861 4.168 ( 0.033 6.462 -0.005) 6.462 4.278 ( 2.220 0.616 1.867) 2.965 4.307 ( 1.307 1.454 0.391) 1.994 4.330 ( -3.388 1.109 -2.159) 4.167 4.402 ( -1.358 4.586 0.482) 4.807 4.456 ( 0.771 1.182 1.444) 2.019 4.512 ( 2.241 2.928 0.288) 3.698 4.549 ( 0.222 -0.308 0.630) 0.735 4.566 ( 0.339 -1.357 -1.138) 1.803 4.603 ( -0.136 0.600 -2.750) 2.818 4.680 ( -0.012 5.061 0.364) 5.074 4.684 ( -0.106 5.837 -0.011) 5.838 4.744 ( -1.389 4.574 -1.715) 5.078 4.758 ( -1.117 1.965 0.280) 2.278 5.058 ( -3.190 -1.714 1.166) 3.804 5.100 ( 2.291 -1.715 1.071) 3.055 5.275 ( -2.122 1.160 3.149) 3.971 5.356 ( -0.166 -1.397 2.447) 2.823 5.466 ( 1.625 -0.996 -2.657) 3.270 5.508 ( 4.571 -3.226 -3.241) 6.466 5.540 ( -1.888 3.597 -5.726) 7.021 5.708 ( -0.006 -4.894 1.593) 5.147 5.940 ( -1.727 -2.901 1.853) 3.852 6.131 ( 1.248 -3.145 -0.505) 3.421 6.547 ( 0.189 -6.890 3.525) 7.742 6.603 ( -1.021 -9.796 -1.623) 9.982 ======================= Grid point 136 (63/91) ======================= q-point: ( 0.20 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 1.619 6.562 -1.270) 6.877 0.921 ( 3.868 6.838 5.608) 9.652 0.953 ( 3.839 2.994 7.671) 9.086 1.038 ( 4.600 8.694 -9.907) 13.960 1.198 ( -3.487 10.639 3.122) 11.623 1.239 ( -1.765 5.827 -2.255) 6.492 1.612 ( -0.349 2.205 3.305) 3.988 1.657 ( -2.420 1.307 -2.156) 3.494 1.732 ( -0.438 6.018 3.396) 6.924 1.807 ( -3.717 7.299 -0.693) 8.221 1.866 ( 3.217 7.063 5.711) 9.636 1.929 ( -5.374 6.214 3.233) 8.829 2.030 ( -0.704 4.530 -6.931) 8.310 2.089 ( 3.290 5.687 1.182) 6.675 2.201 ( 6.011 8.446 -18.006) 20.777 2.314 ( 8.073 2.917 -1.587) 8.729 2.391 ( 1.183 6.991 1.282) 7.205 2.476 ( -5.515 3.122 6.827) 9.315 2.706 ( -10.913 4.016 -1.330) 11.704 3.063 ( 0.615 0.892 3.359) 3.529 3.101 ( 5.580 -2.447 -0.791) 6.144 3.290 ( -2.792 -3.525 -3.824) 5.903 3.501 ( 2.408 -3.791 -3.170) 5.497 3.534 ( 2.007 -3.031 4.506) 5.790 3.711 ( -2.200 -5.197 0.123) 5.644 3.743 ( -3.989 -3.636 2.935) 6.144 3.811 ( -1.442 -3.080 0.478) 3.434 3.869 ( 0.514 -2.054 -0.802) 2.265 3.963 ( 1.386 -1.695 0.085) 2.192 4.004 ( -1.113 2.504 -0.249) 2.751 4.056 ( 1.207 7.029 -0.053) 7.132 4.091 ( -0.005 -0.644 -0.140) 0.659 4.117 ( 0.967 6.069 -0.273) 6.151 4.137 ( 0.854 4.449 -1.186) 4.683 4.166 ( -1.138 7.790 -0.512) 7.889 4.226 ( -3.995 -0.602 -1.775) 4.413 4.308 ( 0.821 4.213 1.827) 4.665 4.346 ( -0.903 1.878 -0.320) 2.108 4.359 ( -1.166 1.134 1.754) 2.392 4.474 ( -1.058 2.563 -0.119) 2.776 4.487 ( -0.727 3.997 -0.891) 4.159 4.555 ( 0.151 0.240 -2.261) 2.278 4.577 ( 1.776 -0.198 -0.316) 1.814 4.614 ( 0.563 0.838 -0.630) 1.190 4.681 ( -0.113 4.653 0.218) 4.659 4.689 ( 0.066 5.833 -0.435) 5.850 4.737 ( -0.466 0.796 -0.071) 0.925 4.791 ( 4.695 3.575 3.449) 6.835 5.003 ( -3.692 -1.359 2.570) 4.699 5.143 ( 2.159 -1.409 -0.187) 2.585 5.279 ( -0.957 0.776 5.427) 5.565 5.353 ( -1.676 -1.617 0.878) 2.488 5.428 ( -0.647 -2.409 -3.901) 4.631 5.491 ( -0.748 2.224 -4.255) 4.859 5.599 ( 5.351 -2.479 -1.783) 6.161 5.737 ( 2.324 -5.293 -0.175) 5.784 5.930 ( -0.874 -2.222 3.168) 3.967 6.135 ( 0.296 -3.425 -2.686) 4.363 6.544 ( -3.601 -6.985 1.757) 8.053 6.553 ( -2.208 -7.773 0.540) 8.099 ======================= Grid point 137 (64/91) ======================= q-point: ( 0.40 0.08 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -2.319 2.979 -1.643) 4.117 0.996 ( -0.039 10.299 2.328) 10.558 1.076 ( 3.154 7.946 -0.783) 8.585 1.118 ( 7.756 6.399 -0.657) 10.076 1.143 ( -0.119 9.819 -1.758) 9.975 1.273 ( 4.811 4.662 7.132) 9.785 1.555 ( -4.889 1.424 -2.365) 5.614 1.618 ( -3.504 0.489 -4.832) 5.989 1.651 ( -1.780 6.301 1.375) 6.690 1.786 ( -2.255 9.283 0.304) 9.558 1.819 ( 0.505 7.703 -0.863) 7.767 1.937 ( -0.682 3.446 -6.725) 7.588 2.025 ( -4.742 2.010 2.589) 5.764 2.157 ( -6.057 7.493 -2.557) 9.968 2.235 ( 5.567 3.968 10.028) 12.137 2.322 ( 0.311 9.371 -5.452) 10.846 2.409 ( 5.272 9.647 5.632) 12.352 2.525 ( 7.245 0.300 1.025) 7.324 2.609 ( 0.062 3.778 -1.721) 4.152 3.067 ( -3.184 2.138 -8.082) 8.946 3.177 ( -3.158 -3.567 -5.183) 7.040 3.194 ( 2.253 -3.134 4.773) 6.138 3.431 ( -3.341 -2.034 0.405) 3.932 3.645 ( -3.271 -4.666 -1.692) 5.944 3.676 ( 4.615 -3.390 1.414) 5.898 3.707 ( -0.582 -6.296 3.756) 7.354 3.803 ( 0.190 -3.632 0.574) 3.682 3.879 ( 0.227 -2.014 1.334) 2.427 3.966 ( -0.144 1.359 -1.130) 1.774 4.008 ( 0.311 -1.037 2.152) 2.409 4.049 ( -1.043 7.255 -1.286) 7.441 4.086 ( -0.994 -2.272 -0.731) 2.585 4.109 ( -1.466 5.137 -1.896) 5.669 4.137 ( 0.122 3.566 0.108) 3.570 4.145 ( 1.136 6.058 -1.279) 6.295 4.203 ( 0.292 1.692 -0.111) 1.720 4.298 ( -1.114 3.421 0.424) 3.623 4.355 ( -0.842 0.814 1.031) 1.560 4.365 ( 2.259 3.585 1.576) 4.520 4.436 ( -1.386 3.970 -1.256) 4.388 4.497 ( 0.302 5.628 -1.089) 5.740 4.532 ( -0.965 1.198 -1.773) 2.347 4.593 ( 0.334 0.552 -0.555) 0.851 4.609 ( -0.265 2.267 -0.432) 2.322 4.681 ( 0.069 4.785 0.094) 4.787 4.682 ( -0.300 5.664 0.132) 5.673 4.741 ( 0.658 0.624 0.795) 1.205 4.894 ( 3.448 1.506 2.632) 4.592 4.970 ( -1.337 -1.527 1.764) 2.689 5.172 ( 0.735 -1.614 -0.141) 1.779 5.290 ( -1.909 0.441 7.275) 7.535 5.318 ( -1.524 -1.251 -1.054) 2.236 5.416 ( -0.177 -2.252 -2.183) 3.142 5.455 ( 0.724 1.363 -3.277) 3.622 5.668 ( 3.507 -2.549 -1.796) 4.693 5.756 ( -0.823 -7.327 1.222) 7.474 5.961 ( 2.306 -1.371 2.382) 3.587 6.110 ( -0.389 -3.287 -5.074) 6.058 6.492 ( -2.044 -6.309 0.377) 6.643 6.517 ( -2.655 -6.105 2.286) 7.039 ======================= Grid point 138 (65/91) ======================= q-point: (-0.40 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( -9.775 4.543 6.642) 12.661 0.925 ( -9.330 11.673 7.282) 16.623 1.085 ( 0.974 11.151 -2.881) 11.558 1.182 ( 4.955 3.702 -7.982) 10.098 1.239 ( 6.421 8.132 -7.335) 12.695 1.418 ( 0.845 1.410 -3.453) 3.824 1.498 ( 5.578 1.839 3.546) 6.861 1.557 ( 2.050 0.847 -1.930) 2.940 1.680 ( 1.504 6.146 0.792) 6.377 1.743 ( -10.773 10.092 7.784) 16.688 1.763 ( -5.458 9.778 7.369) 13.406 1.851 ( -0.858 10.099 -1.663) 10.271 1.962 ( 0.546 2.661 1.986) 3.365 2.107 ( -0.412 5.380 -1.435) 5.583 2.292 ( -0.543 0.283 1.320) 1.456 2.404 ( 7.962 5.506 -2.541) 10.009 2.500 ( 0.503 4.716 -7.069) 8.513 2.561 ( 3.637 6.386 3.620) 8.192 2.709 ( -1.854 1.795 -11.051) 11.348 2.915 ( 4.447 3.755 0.266) 5.827 3.131 ( -3.070 -1.822 -0.420) 3.595 3.232 ( -1.404 -3.372 4.021) 5.432 3.440 ( 2.244 -2.694 -0.592) 3.556 3.550 ( -4.794 -2.713 5.303) 7.646 3.700 ( -0.706 -7.277 0.619) 7.338 3.771 ( 2.977 -4.323 -2.346) 5.749 3.814 ( 0.707 -4.209 -0.954) 4.373 3.880 ( -1.867 -1.522 2.809) 3.701 3.958 ( -0.699 2.369 0.404) 2.503 4.026 ( -0.249 0.713 -1.523) 1.701 4.031 ( 1.433 1.748 0.649) 2.352 4.069 ( 0.890 2.990 -0.019) 3.119 4.093 ( -0.723 1.640 0.460) 1.851 4.141 ( 0.848 5.014 -0.757) 5.141 4.154 ( 0.597 3.483 -1.619) 3.887 4.204 ( -0.257 2.265 0.014) 2.280 4.301 ( 1.281 3.565 0.113) 3.790 4.344 ( -1.384 0.555 1.322) 1.993 4.405 ( -0.605 2.822 -1.728) 3.364 4.411 ( 0.923 6.855 1.453) 7.067 4.472 ( -0.312 2.222 -0.084) 2.245 4.525 ( -0.599 4.154 -0.053) 4.198 4.593 ( 0.403 1.134 -0.554) 1.325 4.606 ( 0.130 2.359 -0.035) 2.363 4.678 ( -0.167 6.992 0.190) 6.996 4.686 ( 0.240 3.838 -0.085) 3.846 4.758 ( 0.811 -0.190 -0.761) 1.128 4.923 ( -1.242 1.523 -0.049) 1.965 4.987 ( 2.531 -1.635 0.158) 3.017 5.150 ( -3.621 -1.301 2.168) 4.416 5.293 ( -0.673 0.970 2.610) 2.864 5.317 ( 0.090 -1.798 2.800) 3.329 5.396 ( -0.414 -0.487 -0.170) 0.662 5.472 ( 3.007 -0.803 -4.553) 5.515 5.682 ( -0.610 -1.566 -3.129) 3.552 5.742 ( -1.683 -7.558 2.588) 8.164 6.005 ( 0.204 -2.364 -0.281) 2.389 6.073 ( 0.786 -2.353 -3.701) 4.455 6.482 ( 0.415 -6.074 0.706) 6.129 6.518 ( 1.377 -6.346 3.250) 7.261 ======================= Grid point 139 (66/91) ======================= q-point: (-0.20 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -6.162 6.614 13.016) 15.847 0.822 ( -8.023 10.503 12.282) 18.042 1.072 ( 0.221 11.438 -4.736) 12.382 1.163 ( -0.585 3.085 -12.755) 13.136 1.249 ( 1.273 6.180 -6.151) 8.812 1.357 ( -0.508 5.428 -7.256) 9.076 1.541 ( -9.369 9.137 14.375) 19.440 1.631 ( 1.261 1.054 2.308) 2.833 1.690 ( 3.875 3.681 2.094) 5.740 1.756 ( 7.314 6.569 6.094) 11.567 1.810 ( -0.317 7.430 3.659) 8.288 1.866 ( 5.522 10.222 0.693) 11.639 1.993 ( 2.246 2.019 -0.844) 3.135 2.087 ( -0.807 4.597 -1.196) 4.818 2.262 ( -3.786 -0.090 0.034) 3.787 2.370 ( -4.820 5.105 -7.323) 10.145 2.444 ( -3.751 9.668 -13.249) 16.825 2.590 ( 2.727 3.451 -5.250) 6.849 2.710 ( 10.092 2.638 -1.512) 10.540 3.021 ( -0.410 2.144 2.942) 3.663 3.097 ( -2.020 -1.544 4.559) 5.220 3.246 ( 3.430 -3.379 -0.117) 4.816 3.410 ( -4.776 -3.324 5.945) 8.319 3.586 ( 1.737 -3.134 -0.669) 3.645 3.685 ( 0.187 -6.590 1.927) 6.868 3.798 ( 1.777 -1.821 -1.837) 3.138 3.821 ( 1.481 -4.007 -0.596) 4.313 3.850 ( -3.075 -2.065 2.908) 4.709 3.945 ( -0.709 1.743 -0.051) 1.883 4.014 ( -0.316 -0.059 -0.289) 0.433 4.058 ( 1.090 3.233 -0.397) 3.435 4.091 ( -0.342 4.912 0.712) 4.976 4.102 ( 0.822 2.829 0.772) 3.045 4.130 ( -0.717 3.274 -1.148) 3.543 4.162 ( 1.221 5.577 -0.374) 5.722 4.213 ( 2.204 0.324 -0.160) 2.233 4.316 ( -2.087 2.337 1.251) 3.373 4.341 ( 2.545 3.129 -0.154) 4.036 4.394 ( 1.145 3.688 -1.966) 4.333 4.446 ( 0.956 3.575 2.282) 4.348 4.471 ( 0.022 4.352 0.284) 4.362 4.522 ( 0.201 0.450 1.245) 1.339 4.592 ( -0.348 -1.054 -0.808) 1.373 4.610 ( 0.477 2.114 -0.729) 2.286 4.678 ( 0.012 5.504 0.224) 5.508 4.689 ( 0.161 5.039 -0.237) 5.047 4.757 ( 0.232 -0.097 -1.955) 1.972 4.850 ( -5.671 3.134 -2.376) 6.902 5.043 ( 3.590 -2.148 -1.143) 4.337 5.102 ( -3.288 -0.617 3.574) 4.896 5.307 ( -2.053 -0.930 1.053) 2.487 5.327 ( 1.024 0.810 4.252) 4.448 5.408 ( 2.408 0.189 -0.584) 2.485 5.492 ( 2.056 -1.867 -4.255) 5.081 5.625 ( -2.676 -0.278 -5.038) 5.711 5.719 ( -2.210 -5.497 1.773) 6.184 5.968 ( -1.996 -2.891 -0.984) 3.648 6.101 ( 2.082 -2.533 0.289) 3.292 6.510 ( 1.505 -6.347 2.183) 6.878 6.583 ( 3.163 -8.931 0.988) 9.526 ======================= Grid point 140 (67/91) ======================= q-point: ( 0.00 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 151 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 3.680 11.864 9.562) 15.676 1.024 ( -3.060 10.974 12.067) 16.596 1.128 ( -4.123 7.928 -11.054) 14.215 1.258 ( 1.468 9.503 -11.584) 15.055 1.397 ( 0.458 8.735 -2.491) 9.095 1.492 ( -0.103 10.496 -2.747) 10.850 1.712 ( 2.015 5.089 -0.576) 5.504 1.737 ( -1.342 6.917 0.042) 7.046 1.886 ( 1.901 8.138 3.461) 9.045 1.994 ( 0.954 6.702 3.089) 7.441 2.021 ( -1.803 0.914 -0.259) 2.038 2.039 ( 1.852 3.756 0.276) 4.197 2.131 ( -0.193 11.311 -0.513) 11.325 2.221 ( -0.753 13.257 9.226) 16.169 2.331 ( 1.777 7.004 -0.848) 7.275 2.466 ( 1.736 9.021 -9.233) 13.025 2.615 ( -5.505 8.687 0.399) 10.292 2.630 ( 1.505 15.251 -4.935) 16.100 2.850 ( 0.967 0.175 0.699) 1.206 3.069 ( -2.095 4.244 0.988) 4.835 3.134 ( -0.461 5.293 1.928) 5.652 3.201 ( 1.799 -6.602 -0.662) 6.874 3.360 ( 3.117 -4.391 3.743) 6.558 3.418 ( -2.205 -4.342 -1.891) 5.224 3.643 ( 0.399 -4.795 1.141) 4.945 3.721 ( -4.656 -2.968 2.082) 5.901 3.774 ( 1.563 -1.957 -0.312) 2.524 3.810 ( 1.295 -1.694 -0.878) 2.306 3.920 ( 0.017 -0.310 -1.823) 1.849 4.057 ( 0.420 -1.381 -0.035) 1.444 4.062 ( 1.508 0.737 -0.564) 1.770 4.117 ( 0.038 -1.439 0.816) 1.655 4.206 ( 0.091 4.366 -0.015) 4.367 4.233 ( -0.085 3.890 -2.141) 4.441 4.299 ( 0.417 6.716 2.165) 7.068 4.350 ( 1.793 4.256 0.972) 4.719 4.376 ( 0.072 4.131 1.249) 4.316 4.416 ( -1.889 6.557 -0.771) 6.867 4.458 ( -2.595 0.014 1.270) 2.889 4.507 ( 1.012 2.710 0.495) 2.935 4.521 ( 0.177 -2.015 -1.450) 2.489 4.540 ( 1.978 1.144 -1.984) 3.026 4.554 ( -0.183 0.733 0.594) 0.961 4.637 ( 0.127 2.478 -1.446) 2.872 4.739 ( -0.884 -0.492 1.316) 1.660 4.782 ( -0.311 3.711 -0.177) 3.728 4.829 ( 0.804 5.911 -1.376) 6.122 4.892 ( -1.990 7.412 1.725) 7.866 4.988 ( -0.640 -4.721 -0.130) 4.766 5.072 ( 0.488 -0.975 1.339) 1.726 5.284 ( -1.621 -2.187 3.459) 4.401 5.335 ( 0.634 0.747 1.241) 1.581 5.383 ( -1.783 -4.539 -1.435) 5.084 5.465 ( 3.848 -1.126 -3.241) 5.156 5.577 ( -0.161 -6.546 1.431) 6.702 5.645 ( 0.772 4.559 -6.560) 8.026 5.866 ( -1.312 -3.863 1.879) 4.492 6.048 ( 0.575 -4.512 -0.744) 4.609 6.365 ( 0.080 -10.158 1.310) 10.242 6.396 ( -0.692 -9.022 0.801) 9.084 ======================= Grid point 141 (68/91) ======================= q-point: ( 0.20 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 151 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -0.083 6.891 -6.352) 9.372 1.097 ( 2.216 10.905 9.956) 14.932 1.119 ( 8.184 10.823 8.372) 15.944 1.235 ( 3.290 9.815 -9.694) 14.183 1.387 ( 0.421 8.618 -1.732) 8.801 1.468 ( -1.886 12.515 -0.871) 12.686 1.663 ( -3.717 3.826 -1.867) 5.652 1.724 ( -2.030 3.946 -1.159) 4.587 1.862 ( -5.249 5.953 -2.307) 8.265 1.955 ( -1.286 5.680 -2.617) 6.384 2.005 ( -0.162 6.131 4.525) 7.622 2.077 ( -0.390 6.856 -1.545) 7.038 2.170 ( 3.422 9.027 0.201) 9.656 2.289 ( 0.770 10.560 6.744) 12.553 2.397 ( 5.096 5.576 3.653) 8.391 2.423 ( 2.486 11.444 -11.944) 16.727 2.556 ( -2.061 11.602 3.057) 12.174 2.666 ( 1.531 14.259 0.616) 14.354 2.812 ( -4.633 4.856 -1.218) 6.821 3.065 ( 0.668 0.673 2.821) 2.976 3.106 ( -1.826 2.009 1.467) 3.086 3.200 ( -0.139 -3.538 -4.350) 5.609 3.377 ( -0.596 -8.374 -1.687) 8.563 3.480 ( 5.976 -1.890 1.931) 6.559 3.618 ( -3.936 -3.628 -1.181) 5.482 3.643 ( -4.504 -4.802 4.629) 8.048 3.773 ( -1.645 -0.733 0.074) 1.802 3.827 ( 1.285 -2.033 -0.604) 2.479 3.927 ( 1.404 -0.783 -0.722) 1.762 4.044 ( -1.318 -2.763 -1.003) 3.221 4.057 ( -0.572 1.716 -2.142) 2.803 4.142 ( 1.847 -0.112 0.038) 1.851 4.207 ( -0.276 2.982 -0.445) 3.027 4.239 ( 1.319 5.057 -0.870) 5.298 4.307 ( -0.661 7.317 0.297) 7.353 4.317 ( -3.386 4.674 -2.265) 6.200 4.367 ( -0.899 2.307 0.563) 2.539 4.406 ( -2.806 3.236 1.751) 4.627 4.417 ( -0.087 3.408 2.011) 3.959 4.499 ( -0.660 -0.023 0.475) 0.814 4.549 ( 2.108 0.026 -1.268) 2.460 4.574 ( 3.006 1.011 -1.411) 3.471 4.586 ( 2.540 3.965 0.530) 4.739 4.647 ( 0.957 1.884 -0.945) 2.315 4.725 ( -0.661 0.269 0.948) 1.187 4.787 ( 0.119 3.721 0.499) 3.757 4.828 ( -0.055 5.276 -1.134) 5.397 4.887 ( 0.229 5.460 3.083) 6.274 4.961 ( -2.269 -2.926 1.154) 3.878 5.112 ( 2.658 -0.981 0.265) 2.845 5.279 ( -1.061 -2.505 1.988) 3.370 5.330 ( -2.975 -0.043 4.413) 5.323 5.361 ( 1.188 -2.122 -3.410) 4.188 5.505 ( 2.917 -3.281 -4.158) 6.047 5.564 ( -1.861 -1.090 0.630) 2.247 5.626 ( 0.679 -2.106 -2.793) 3.563 5.878 ( 1.197 -2.559 1.982) 3.451 6.044 ( -0.239 -4.985 -1.436) 5.193 6.352 ( -1.678 -10.045 0.281) 10.188 6.385 ( -1.310 -8.175 1.490) 8.412 ======================= Grid point 142 (69/91) ======================= q-point: ( 0.40 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 151 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -0.404 8.626 -4.164) 9.587 1.224 ( 4.406 10.460 7.403) 13.551 1.231 ( 2.592 7.203 -6.039) 9.751 1.305 ( 4.870 12.392 4.684) 14.114 1.408 ( -1.650 12.656 -2.514) 13.008 1.416 ( 3.447 8.561 1.112) 9.296 1.603 ( -2.541 2.895 -1.159) 4.022 1.645 ( -3.688 2.264 -5.182) 6.751 1.761 ( -2.198 4.377 -1.514) 5.126 1.955 ( 1.179 4.300 -2.130) 4.941 2.013 ( -1.219 10.220 2.196) 10.524 2.063 ( 0.161 9.233 0.216) 9.237 2.169 ( -4.345 10.796 2.232) 11.849 2.319 ( 0.181 6.129 1.124) 6.233 2.384 ( -1.487 11.963 -5.291) 13.165 2.480 ( 0.124 2.510 2.584) 3.604 2.628 ( 5.237 11.814 6.728) 14.569 2.690 ( 4.276 17.271 -0.916) 17.817 2.730 ( -2.666 7.747 -0.980) 8.251 3.097 ( -1.060 -3.071 -0.231) 3.257 3.104 ( 0.460 -4.314 0.937) 4.439 3.150 ( -0.866 4.624 -4.733) 6.673 3.352 ( -0.757 -6.813 -1.450) 7.006 3.531 ( -3.998 -3.613 0.423) 5.406 3.583 ( 3.065 -5.171 1.922) 6.311 3.614 ( -0.638 -3.731 1.114) 3.945 3.750 ( -0.434 -1.391 -0.088) 1.460 3.844 ( 0.357 -1.504 1.244) 1.984 3.948 ( 1.273 -1.027 -0.144) 1.642 4.013 ( -0.725 -2.590 -2.335) 3.561 4.034 ( -0.690 1.454 -1.170) 1.990 4.161 ( 0.251 1.200 -0.787) 1.457 4.190 ( -0.881 2.121 -0.692) 2.399 4.221 ( -2.032 5.191 -0.948) 5.655 4.271 ( -0.310 5.384 -0.631) 5.429 4.297 ( -0.500 5.848 -0.382) 5.882 4.365 ( -0.094 1.633 0.680) 1.772 4.375 ( -0.762 3.111 0.442) 3.233 4.440 ( 0.664 3.479 2.116) 4.126 4.494 ( -0.334 1.133 0.469) 1.271 4.549 ( -0.252 0.275 -2.827) 2.852 4.616 ( 1.940 2.694 -0.001) 3.320 4.631 ( 0.446 3.103 0.449) 3.167 4.661 ( 1.447 2.117 1.142) 2.807 4.728 ( 0.290 3.008 -0.153) 3.026 4.779 ( -1.353 3.405 1.733) 4.053 4.821 ( 0.471 4.518 -2.049) 4.984 4.935 ( -0.852 -1.001 2.007) 2.399 4.938 ( 2.439 1.654 1.539) 3.324 5.143 ( 0.226 -0.550 0.280) 0.657 5.266 ( -0.837 -2.874 -0.209) 3.000 5.312 ( -2.101 0.458 4.826) 5.283 5.365 ( 1.309 -1.495 -2.509) 3.201 5.502 ( -0.637 -2.311 -2.977) 3.822 5.544 ( -1.345 -4.617 2.680) 5.505 5.636 ( 2.103 -2.823 -2.381) 4.250 5.922 ( 2.321 -2.386 0.552) 3.374 6.026 ( -0.431 -4.525 -1.970) 4.954 6.327 ( -0.938 -8.749 -0.020) 8.799 6.366 ( -1.705 -7.792 1.749) 8.166 ======================= Grid point 143 (70/91) ======================= q-point: (-0.40 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 151 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -4.168 11.053 1.129) 11.867 1.162 ( -7.586 10.392 2.438) 13.095 1.308 ( 1.842 8.821 -3.737) 9.755 1.351 ( 1.855 12.895 -0.823) 13.053 1.455 ( 5.569 9.425 -4.667) 11.900 1.481 ( 0.529 6.744 -5.007) 8.416 1.564 ( 2.978 4.534 2.068) 5.805 1.596 ( 1.339 2.844 -0.921) 3.276 1.768 ( 2.564 2.577 -1.645) 3.990 1.942 ( -1.606 4.141 -0.554) 4.476 2.006 ( -0.774 11.387 1.937) 11.577 2.075 ( -1.926 11.680 3.812) 12.437 2.096 ( -3.399 11.934 5.997) 13.782 2.304 ( -1.586 12.038 -2.886) 12.480 2.335 ( -1.957 5.494 2.232) 6.244 2.482 ( -1.782 2.710 2.628) 4.174 2.702 ( 4.762 13.122 -5.323) 14.940 2.724 ( 2.715 5.290 -0.889) 6.013 2.797 ( 1.388 10.500 -1.174) 10.656 3.037 ( 0.547 7.341 -1.924) 7.609 3.093 ( -1.850 -1.993 0.007) 2.719 3.145 ( -0.735 -3.489 2.518) 4.365 3.342 ( -0.270 -7.042 -0.870) 7.101 3.505 ( 0.508 -0.790 2.581) 2.746 3.566 ( -2.825 -5.523 1.852) 6.474 3.673 ( 4.453 -5.213 -2.999) 7.483 3.751 ( 0.588 -1.783 -0.025) 1.878 3.844 ( -1.692 -1.688 1.458) 2.800 3.976 ( 1.044 -0.578 -2.048) 2.370 3.988 ( 0.612 -2.388 -0.915) 2.630 4.022 ( -0.309 1.229 0.207) 1.284 4.134 ( -2.143 0.786 1.159) 2.560 4.202 ( 2.610 2.132 -0.802) 3.464 4.212 ( 0.976 5.553 -0.243) 5.643 4.270 ( 0.346 5.865 -0.344) 5.886 4.284 ( -0.859 4.657 0.617) 4.775 4.365 ( -0.639 1.514 0.290) 1.669 4.379 ( 1.321 3.641 0.280) 3.884 4.457 ( 0.036 2.929 0.700) 3.012 4.494 ( -0.064 2.217 0.918) 2.401 4.533 ( 0.324 1.357 -1.833) 2.304 4.608 ( -1.922 0.829 0.360) 2.124 4.632 ( -1.548 4.122 0.405) 4.422 4.675 ( -0.717 2.822 -0.396) 2.938 4.725 ( -0.169 0.158 0.812) 0.844 4.783 ( 0.373 5.615 1.507) 5.826 4.821 ( 1.014 4.098 -2.402) 4.857 4.940 ( 0.806 -2.162 0.595) 2.383 4.973 ( 0.114 2.281 -0.837) 2.432 5.125 ( -2.653 -0.549 2.136) 3.450 5.263 ( 0.842 -2.735 0.091) 2.863 5.314 ( -0.591 0.448 2.665) 2.766 5.376 ( 1.301 -1.396 -1.366) 2.347 5.470 ( -1.601 -2.619 -0.387) 3.094 5.545 ( -0.380 -6.828 2.709) 7.355 5.659 ( 2.577 -0.672 -4.445) 5.182 5.936 ( -0.897 -4.105 -1.146) 4.356 6.020 ( 1.167 -2.756 -1.518) 3.356 6.324 ( 0.471 -8.359 0.271) 8.377 6.363 ( 0.105 -8.035 2.371) 8.378 ======================= Grid point 144 (71/91) ======================= q-point: (-0.20 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 151 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -2.653 13.498 5.735) 14.904 1.053 ( -7.517 11.394 8.725) 16.201 1.267 ( -2.285 6.852 -9.595) 12.010 1.326 ( -1.307 11.621 -8.894) 14.693 1.408 ( -0.448 8.537 -4.853) 9.830 1.503 ( 2.007 8.388 -4.270) 9.624 1.645 ( 3.672 2.898 1.485) 4.908 1.701 ( 6.546 3.779 1.436) 7.694 1.822 ( 2.841 6.935 1.150) 7.582 1.913 ( 0.888 6.843 2.314) 7.279 2.023 ( -1.061 10.450 5.696) 11.949 2.063 ( -1.571 7.373 1.513) 7.688 2.108 ( 0.720 10.323 3.258) 10.849 2.249 ( -3.824 11.044 1.051) 11.735 2.323 ( -0.432 6.741 0.432) 6.768 2.467 ( -0.004 4.501 -0.391) 4.518 2.699 ( -2.769 12.403 -7.500) 14.756 2.716 ( -2.338 9.563 -6.527) 11.812 2.796 ( 3.771 5.248 0.900) 6.525 3.079 ( 1.207 2.133 0.649) 2.535 3.100 ( 1.246 4.253 3.672) 5.755 3.152 ( 2.196 -4.827 -0.397) 5.318 3.327 ( -1.365 -5.164 3.099) 6.175 3.493 ( -4.308 -4.747 0.090) 6.411 3.589 ( 4.000 -3.019 1.885) 5.354 3.718 ( 3.320 -4.463 -3.300) 6.468 3.779 ( 2.213 -1.197 0.139) 2.520 3.803 ( -3.888 -1.746 2.019) 4.716 3.945 ( -0.882 -0.677 -3.034) 3.231 4.030 ( 1.680 0.366 0.312) 1.747 4.033 ( 1.775 -1.401 0.675) 2.360 4.118 ( -0.895 -0.746 1.818) 2.160 4.218 ( -0.215 4.430 -1.091) 4.567 4.242 ( 0.760 4.547 -0.729) 4.667 4.280 ( 0.291 3.765 1.105) 3.934 4.293 ( 2.326 7.254 1.783) 7.824 4.360 ( 0.185 2.879 0.942) 3.035 4.424 ( 3.194 3.872 0.044) 5.019 4.450 ( -0.327 2.515 -1.172) 2.794 4.503 ( 0.086 1.415 1.522) 2.080 4.527 ( -0.342 0.349 -1.057) 1.164 4.560 ( -3.206 -0.674 -0.001) 3.276 4.591 ( -2.643 4.157 -0.348) 4.938 4.653 ( -0.735 2.415 -1.045) 2.732 4.732 ( 0.250 -0.747 0.964) 1.245 4.794 ( -0.122 5.196 0.133) 5.199 4.823 ( 0.699 5.185 -1.571) 5.462 4.927 ( -2.182 3.838 -0.744) 4.477 4.977 ( 1.520 -3.535 -0.447) 3.874 5.087 ( -3.033 -0.549 2.737) 4.121 5.289 ( 0.481 -0.974 1.340) 1.725 5.314 ( -0.259 -2.020 1.492) 2.524 5.401 ( 2.357 -1.939 -2.348) 3.851 5.440 ( -1.409 -1.809 0.477) 2.342 5.562 ( 0.385 -6.582 2.190) 6.948 5.665 ( 1.869 2.009 -6.718) 7.257 5.897 ( -2.398 -3.821 -0.238) 4.517 6.036 ( 1.236 -3.492 -0.854) 3.802 6.344 ( 1.120 -9.065 0.950) 9.183 6.388 ( 0.723 -9.050 1.762) 9.248 ======================= Grid point 145 (72/91) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 0.285 11.386 2.761) 11.719 1.256 ( -1.620 11.908 5.857) 13.369 1.341 ( -1.616 11.359 -3.841) 12.099 1.440 ( 1.971 8.098 -11.509) 14.210 1.563 ( 0.502 7.246 -2.700) 7.749 1.691 ( 0.625 8.793 -1.100) 8.884 1.837 ( 1.513 4.732 0.240) 4.974 1.865 ( 0.070 5.717 -1.008) 5.806 1.978 ( 1.537 0.539 2.987) 3.402 2.035 ( -2.306 2.914 1.034) 3.857 2.098 ( 6.474 4.525 -1.196) 7.989 2.144 ( -3.793 5.019 -2.539) 6.784 2.352 ( 0.668 8.486 -0.022) 8.513 2.410 ( -1.789 2.766 -0.199) 3.300 2.551 ( -1.231 12.670 7.220) 14.635 2.599 ( 0.028 3.332 1.624) 3.707 2.801 ( 0.125 5.124 1.549) 5.355 2.889 ( -0.223 8.089 1.309) 8.197 3.016 ( -0.742 17.034 -2.120) 17.181 3.062 ( 1.461 -4.528 -2.572) 5.408 3.192 ( -0.283 -3.550 -1.420) 3.834 3.218 ( 0.507 7.782 0.927) 7.853 3.279 ( -1.298 6.783 1.974) 7.182 3.429 ( -0.046 2.679 0.970) 2.849 3.546 ( 0.204 -4.124 -0.191) 4.133 3.660 ( -2.878 -2.805 0.500) 4.050 3.773 ( 1.311 1.774 -0.513) 2.265 3.786 ( 0.666 -0.559 -0.900) 1.251 3.929 ( 0.227 0.903 -1.643) 1.888 4.011 ( -0.199 -1.917 -0.852) 2.108 4.060 ( 2.044 -2.666 1.169) 3.557 4.083 ( 0.001 0.217 -0.647) 0.683 4.263 ( 0.160 1.502 -1.294) 1.989 4.299 ( 0.000 1.063 0.231) 1.088 4.371 ( 0.838 0.445 1.850) 2.079 4.416 ( -0.026 1.579 0.288) 1.605 4.445 ( -1.234 1.444 0.578) 1.985 4.456 ( -2.002 0.036 0.119) 2.006 4.465 ( -0.466 -0.745 -0.717) 1.134 4.496 ( 0.919 0.373 0.123) 0.999 4.570 ( 0.537 3.702 0.903) 3.848 4.582 ( 3.261 2.564 1.141) 4.302 4.613 ( -1.239 3.688 -1.104) 4.045 4.701 ( -1.231 3.392 -1.288) 3.831 4.732 ( 0.082 0.402 0.838) 0.933 4.813 ( -0.250 -0.021 -0.170) 0.303 4.884 ( -0.454 -4.585 0.291) 4.617 4.934 ( -0.795 3.637 1.436) 3.990 5.018 ( -0.038 3.595 -0.859) 3.696 5.032 ( 0.352 -3.006 -0.306) 3.042 5.227 ( -1.249 -1.679 2.842) 3.529 5.318 ( -0.585 -1.927 -0.650) 2.116 5.363 ( 1.965 1.276 -0.558) 2.409 5.434 ( 0.578 -1.886 0.522) 2.040 5.503 ( 0.858 0.182 -0.271) 0.918 5.693 ( -0.880 -0.533 -3.867) 4.001 5.789 ( 0.034 -3.422 1.544) 3.755 5.960 ( -0.064 -3.899 -1.122) 4.057 6.168 ( -0.313 -8.010 0.498) 8.032 6.235 ( 0.022 -6.468 0.369) 6.478 ======================= Grid point 146 (73/91) ======================= q-point: ( 0.20 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -0.121 9.353 -0.683) 9.379 1.328 ( 2.962 11.418 5.537) 13.030 1.361 ( 5.089 11.487 2.925) 12.900 1.431 ( 4.279 8.534 -8.758) 12.956 1.554 ( 0.213 7.230 -1.587) 7.405 1.679 ( -1.163 8.470 -1.684) 8.714 1.781 ( -5.152 4.924 -1.931) 7.384 1.806 ( -4.483 5.163 -1.771) 7.063 1.969 ( -5.027 4.727 -1.878) 7.151 2.038 ( 1.619 2.133 -1.527) 3.082 2.109 ( 2.323 4.143 -1.101) 4.876 2.187 ( 2.637 3.799 1.929) 5.011 2.366 ( 2.101 8.543 -0.672) 8.823 2.429 ( 1.947 4.651 2.853) 5.793 2.567 ( -1.653 8.596 4.126) 9.677 2.613 ( 0.909 5.541 0.154) 5.617 2.797 ( -1.779 1.206 0.924) 2.340 2.909 ( 1.153 10.306 3.850) 11.062 3.004 ( 1.427 17.037 -2.178) 17.235 3.048 ( -0.647 -1.671 -3.124) 3.602 3.188 ( 0.257 -3.530 -0.964) 3.669 3.217 ( -5.592 8.725 2.882) 10.756 3.256 ( 2.462 5.963 -0.968) 6.523 3.449 ( 0.828 -1.560 1.306) 2.196 3.541 ( 0.051 -2.923 -0.846) 3.043 3.588 ( -5.486 -1.163 2.926) 6.326 3.774 ( -1.089 0.547 -1.442) 1.888 3.800 ( 1.647 0.282 -0.394) 1.717 3.934 ( 1.210 1.122 -0.998) 1.928 3.995 ( -0.931 -1.619 -0.341) 1.898 4.058 ( -0.410 -1.478 -2.301) 2.765 4.126 ( 3.433 -0.558 -0.335) 3.494 4.254 ( -0.542 1.628 -0.898) 1.936 4.310 ( 0.492 0.831 0.043) 0.966 4.361 ( -2.191 0.295 -1.167) 2.500 4.392 ( -1.826 0.750 0.825) 2.139 4.413 ( -1.897 0.993 0.382) 2.175 4.436 ( -0.719 0.892 1.409) 1.816 4.465 ( 0.139 0.569 1.656) 1.756 4.527 ( -0.083 3.224 0.622) 3.284 4.579 ( -0.211 2.004 -2.039) 2.866 4.591 ( 2.215 1.211 -0.883) 2.674 4.636 ( 1.540 0.664 0.813) 1.864 4.709 ( 0.874 3.592 1.198) 3.886 4.750 ( 3.165 2.440 -1.449) 4.251 4.816 ( 0.067 0.098 1.018) 1.025 4.880 ( -0.271 -3.934 1.037) 4.078 4.921 ( -1.603 3.413 1.964) 4.252 4.993 ( -0.839 3.660 -1.088) 3.910 5.071 ( 2.563 -3.934 0.263) 4.702 5.224 ( -0.909 -1.398 1.967) 2.578 5.291 ( -1.274 -2.118 -0.547) 2.531 5.389 ( 0.832 2.192 -1.379) 2.720 5.421 ( -2.340 -2.561 -0.544) 3.512 5.538 ( 3.951 -0.266 -2.181) 4.521 5.634 ( -3.621 -0.160 0.962) 3.750 5.824 ( 2.538 -2.861 0.034) 3.824 5.943 ( -1.229 -4.612 -0.172) 4.776 6.163 ( -0.447 -7.516 0.595) 7.553 6.232 ( -0.562 -6.336 0.164) 6.363 ======================= Grid point 147 (74/91) ======================= q-point: ( 0.40 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 1.036 10.548 -2.375) 10.861 1.379 ( 1.725 7.850 -2.014) 8.286 1.454 ( 3.645 10.392 2.059) 11.204 1.544 ( 4.371 9.058 0.891) 10.097 1.576 ( 5.493 5.743 3.286) 8.600 1.624 ( -3.396 8.321 -1.265) 9.076 1.684 ( -3.267 5.566 -1.109) 6.548 1.725 ( -1.203 6.200 -5.319) 8.256 1.871 ( -4.380 6.347 -3.067) 8.299 2.003 ( -1.851 0.646 -5.612) 5.944 2.151 ( 1.330 2.957 0.649) 3.306 2.232 ( 0.839 5.665 3.247) 6.583 2.400 ( 0.691 8.989 0.222) 9.018 2.479 ( 1.107 8.479 3.264) 9.152 2.548 ( -2.405 7.323 3.008) 8.274 2.624 ( 0.350 7.677 -0.906) 7.738 2.758 ( -2.071 -0.491 0.275) 2.146 2.961 ( 0.302 7.290 5.591) 9.192 3.016 ( -2.694 0.570 0.206) 2.761 3.043 ( 4.166 10.055 -2.675) 11.208 3.135 ( -0.920 11.072 -1.697) 11.239 3.194 ( -0.224 -1.671 1.263) 2.107 3.283 ( 0.620 7.080 -1.913) 7.360 3.464 ( 0.127 -5.255 0.425) 5.273 3.524 ( -2.096 1.472 2.303) 3.444 3.547 ( 0.554 -2.591 -0.870) 2.789 3.743 ( -1.040 0.776 -1.173) 1.749 3.820 ( 0.580 -0.590 0.017) 0.827 3.952 ( 1.101 1.158 -0.352) 1.636 3.980 ( -0.101 -0.568 -1.118) 1.258 4.043 ( 0.123 -0.314 -1.316) 1.359 4.164 ( 0.370 -0.288 -0.522) 0.702 4.230 ( -0.853 2.058 -1.238) 2.549 4.284 ( -1.736 1.119 -0.459) 2.116 4.345 ( 0.424 1.378 -0.427) 1.503 4.367 ( -1.677 -0.006 1.016) 1.961 4.390 ( 0.142 0.747 -1.442) 1.630 4.440 ( -1.023 2.452 2.570) 3.696 4.469 ( 0.038 0.063 1.123) 1.125 4.530 ( 0.542 1.115 -1.044) 1.620 4.571 ( 0.446 3.317 0.556) 3.392 4.642 ( -0.618 0.979 0.284) 1.192 4.645 ( 2.942 -0.886 0.431) 3.102 4.699 ( -1.943 0.921 -0.370) 2.182 4.814 ( -2.155 2.959 2.481) 4.422 4.827 ( 4.988 3.505 -1.450) 6.266 4.885 ( -0.228 -2.925 1.377) 3.241 4.917 ( 0.310 4.152 0.110) 4.165 4.985 ( 0.867 1.916 -0.347) 2.132 5.110 ( 0.965 -4.487 1.115) 4.723 5.224 ( 0.677 -1.124 0.092) 1.315 5.267 ( -1.583 -5.023 -1.197) 5.400 5.342 ( -3.623 -1.365 -1.168) 4.044 5.394 ( -0.224 1.444 -0.057) 1.462 5.588 ( -2.266 -0.016 2.705) 3.528 5.607 ( 4.037 1.651 -2.388) 4.973 5.856 ( 0.978 -4.060 -1.496) 4.436 5.929 ( -0.153 -4.981 1.128) 5.109 6.165 ( 0.328 -6.204 0.419) 6.227 6.216 ( -1.198 -6.269 0.185) 6.385 ======================= Grid point 148 (75/91) ======================= q-point: (-0.40 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -0.265 12.492 -1.657) 12.604 1.352 ( -3.438 8.239 -0.459) 8.939 1.515 ( -3.787 9.763 -1.613) 10.595 1.561 ( 4.421 6.021 1.241) 7.572 1.577 ( 2.939 7.150 -3.237) 8.381 1.662 ( 0.335 4.118 1.057) 4.264 1.698 ( -0.145 8.357 -1.856) 8.562 1.715 ( 0.291 10.238 -6.479) 12.119 1.820 ( 6.323 3.024 0.809) 7.055 1.966 ( 1.374 0.109 -2.436) 2.798 2.147 ( -2.447 2.064 1.084) 3.380 2.243 ( -1.614 6.081 2.016) 6.607 2.385 ( -2.704 10.058 2.286) 10.663 2.505 ( -0.136 9.558 0.553) 9.575 2.530 ( -1.927 8.599 5.099) 10.182 2.612 ( -1.215 10.016 -0.295) 10.094 2.757 ( 1.736 -0.959 0.110) 1.986 2.930 ( -6.643 3.447 4.769) 8.874 2.989 ( 0.551 1.454 1.586) 2.221 3.117 ( 4.072 0.896 -3.703) 5.576 3.148 ( 3.607 8.926 -3.643) 10.293 3.199 ( -1.426 10.677 2.755) 11.119 3.262 ( -0.398 5.619 -1.757) 5.901 3.461 ( -0.462 -4.497 0.613) 4.562 3.515 ( -0.739 0.611 1.008) 1.391 3.583 ( 4.505 -2.132 -2.205) 5.451 3.735 ( 0.825 0.266 -0.438) 0.971 3.816 ( -1.157 -1.000 0.309) 1.560 3.969 ( 0.658 0.252 -0.794) 1.062 3.974 ( 0.755 0.532 -1.691) 1.927 4.035 ( -0.685 0.362 -0.372) 0.859 4.137 ( -2.759 -0.105 1.692) 3.239 4.233 ( 1.978 1.482 -1.007) 2.669 4.281 ( 1.280 1.475 -0.223) 1.965 4.333 ( -1.685 0.479 0.805) 1.928 4.366 ( 1.071 1.181 0.806) 1.786 4.394 ( 1.096 0.908 -1.648) 2.177 4.452 ( 1.186 3.410 2.051) 4.152 4.476 ( -0.218 -0.179 0.881) 0.925 4.521 ( -0.208 -0.867 -2.286) 2.454 4.585 ( -0.517 5.017 0.504) 5.068 4.625 ( -1.915 0.859 1.427) 2.538 4.658 ( -1.430 -0.567 -1.139) 1.914 4.696 ( 2.148 -0.520 0.618) 2.295 4.763 ( -4.641 3.012 3.428) 6.509 4.885 ( 1.002 -0.173 -0.623) 1.192 4.890 ( 0.955 0.668 -1.433) 1.847 4.908 ( -0.675 5.235 0.327) 5.289 5.001 ( 0.457 -0.217 -1.548) 1.628 5.127 ( -0.547 -0.301 0.188) 0.652 5.207 ( -1.003 -5.034 1.289) 5.292 5.250 ( 0.346 -5.093 -0.355) 5.117 5.331 ( 2.302 -0.544 0.416) 2.402 5.394 ( 0.027 0.982 0.064) 0.985 5.548 ( -3.626 1.446 2.762) 4.781 5.665 ( 3.924 0.838 -3.892) 5.590 5.843 ( -1.301 -4.816 -0.393) 5.005 5.947 ( 1.318 -4.759 -0.590) 4.974 6.172 ( 0.111 -5.538 -0.552) 5.567 6.207 ( 0.064 -6.622 1.430) 6.775 ======================= Grid point 149 (76/91) ======================= q-point: (-0.20 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -0.046 13.697 0.171) 13.698 1.284 ( -4.906 10.820 4.916) 12.857 1.434 ( -3.447 8.809 -5.223) 10.805 1.524 ( -4.223 7.098 -11.421) 14.094 1.568 ( 0.935 6.592 -3.469) 7.507 1.671 ( 2.567 7.776 -0.679) 8.217 1.741 ( 6.239 5.132 2.237) 8.383 1.796 ( 5.923 6.115 -0.044) 8.514 1.945 ( 4.721 5.360 1.017) 7.215 2.002 ( 2.878 2.600 0.052) 3.879 2.090 ( -4.186 -0.060 1.359) 4.402 2.211 ( -2.471 5.257 -0.058) 5.809 2.353 ( -1.764 9.051 1.513) 9.344 2.467 ( -3.225 6.625 -0.354) 7.377 2.543 ( -1.364 12.868 4.403) 13.668 2.592 ( -0.983 7.406 2.229) 7.797 2.787 ( 0.298 -1.181 1.721) 2.108 2.882 ( -1.154 6.646 3.248) 7.487 3.014 ( 1.053 2.492 1.763) 3.229 3.084 ( -0.970 6.161 -7.311) 9.610 3.190 ( 0.187 3.052 0.050) 3.058 3.227 ( 2.189 6.307 0.344) 6.685 3.250 ( 0.460 8.092 0.180) 8.107 3.444 ( -1.946 0.011 1.315) 2.348 3.529 ( 1.529 -3.107 0.096) 3.464 3.650 ( 4.256 -1.645 -2.968) 5.443 3.760 ( 1.645 -0.287 -0.068) 1.671 3.788 ( -1.959 0.110 0.730) 2.094 3.947 ( -0.795 0.913 -2.257) 2.561 4.002 ( 1.922 -0.786 -0.815) 2.231 4.028 ( 0.274 -1.281 0.605) 1.443 4.102 ( -2.302 -0.253 1.736) 2.895 4.260 ( 1.128 0.630 -1.018) 1.645 4.307 ( -0.474 1.002 0.351) 1.163 4.329 ( 1.970 1.270 1.784) 2.946 4.400 ( 1.175 2.635 0.286) 2.899 4.413 ( 3.086 0.663 -0.609) 3.215 4.466 ( -0.904 -0.127 0.694) 1.147 4.492 ( -1.582 -1.197 -1.277) 2.359 4.509 ( 3.330 3.501 0.585) 4.867 4.563 ( -4.413 0.949 2.071) 4.966 4.569 ( -1.547 3.406 -0.771) 3.819 4.642 ( -1.148 1.353 -0.148) 1.780 4.721 ( -0.122 0.188 1.795) 1.809 4.728 ( -0.456 3.656 -0.171) 3.688 4.847 ( -2.656 0.567 -2.028) 3.390 4.887 ( -0.091 -3.480 0.225) 3.489 4.928 ( 0.757 4.338 0.753) 4.467 5.000 ( 1.096 0.625 -1.468) 1.936 5.075 ( -3.428 -1.304 0.106) 3.670 5.234 ( -1.448 -2.857 3.396) 4.668 5.274 ( 4.848 -1.598 -1.939) 5.461 5.369 ( -0.600 -0.507 0.728) 1.071 5.403 ( 1.815 -1.007 0.862) 2.247 5.509 ( -1.831 0.847 1.218) 2.357 5.696 ( 2.819 0.408 -4.914) 5.680 5.812 ( -2.471 -4.420 1.148) 5.193 5.960 ( 0.987 -4.116 -1.677) 4.553 6.168 ( -0.047 -7.023 -0.063) 7.023 6.225 ( 0.610 -6.502 1.055) 6.615 ======================= Grid point 150 (77/91) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 151 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -1.942 9.110 1.134) 9.383 1.491 ( 1.094 9.567 -0.697) 9.654 1.558 ( -0.125 8.944 -1.142) 9.017 1.594 ( 0.689 6.911 -5.633) 8.942 1.692 ( 0.752 5.187 -2.070) 5.635 1.846 ( 0.818 4.395 -0.204) 4.475 1.893 ( -1.544 0.400 -0.245) 1.614 1.922 ( 2.366 2.726 -1.591) 3.945 2.019 ( 0.174 3.742 0.421) 3.770 2.088 ( -0.088 1.656 2.490) 2.992 2.177 ( 5.326 2.176 0.601) 5.785 2.229 ( -2.388 2.989 -2.899) 4.800 2.421 ( -1.858 0.002 0.767) 2.010 2.474 ( -0.649 1.554 -1.097) 2.010 2.595 ( -0.876 -2.779 6.142) 6.798 2.680 ( -1.145 -2.621 -0.017) 2.860 2.807 ( -0.769 -0.138 -0.861) 1.163 2.921 ( 0.981 -0.938 2.006) 2.422 3.094 ( 1.619 6.585 -0.425) 6.794 3.311 ( 1.012 12.281 2.497) 12.573 3.324 ( -2.514 3.972 2.650) 5.396 3.387 ( 0.720 10.733 -2.400) 11.022 3.448 ( -0.678 6.105 -0.034) 6.142 3.488 ( -0.344 1.450 0.577) 1.598 3.521 ( -0.377 6.945 1.341) 7.084 3.615 ( -2.564 -1.380 -1.275) 3.179 3.786 ( 0.610 0.624 0.085) 0.876 3.837 ( 2.488 3.580 -2.181) 4.875 3.948 ( -0.103 0.909 -0.516) 1.050 3.998 ( -0.910 0.549 -0.085) 1.066 4.014 ( 1.656 -0.645 -0.801) 1.950 4.098 ( 0.382 1.275 -1.053) 1.697 4.272 ( 0.664 -0.484 1.087) 1.362 4.289 ( -1.026 -0.781 -1.208) 1.767 4.365 ( 0.354 0.518 0.531) 0.822 4.394 ( -0.969 -2.731 1.370) 3.205 4.422 ( 0.647 -2.278 -0.140) 2.373 4.476 ( 0.231 0.830 0.378) 0.941 4.488 ( -1.584 2.197 -0.251) 2.721 4.520 ( 0.253 2.115 -0.090) 2.132 4.609 ( 1.679 0.485 0.568) 1.837 4.644 ( 0.932 2.215 0.255) 2.417 4.669 ( -2.193 1.632 -0.200) 2.741 4.740 ( 0.948 0.293 0.141) 1.002 4.761 ( -1.432 2.060 -0.476) 2.553 4.811 ( 0.675 -0.840 0.986) 1.461 4.830 ( -0.121 0.850 -0.546) 1.017 4.956 ( 0.304 -1.777 0.242) 1.819 4.988 ( -1.466 -0.096 1.711) 2.256 5.046 ( 1.403 -0.296 -2.993) 3.319 5.221 ( -1.239 0.516 2.273) 2.640 5.278 ( -0.178 -2.098 -0.032) 2.106 5.390 ( 2.502 0.970 -1.549) 3.099 5.414 ( 0.013 -0.928 0.695) 1.159 5.530 ( 0.328 1.822 0.096) 1.854 5.633 ( -2.474 -4.112 -0.609) 4.837 5.724 ( 1.092 -3.070 -0.007) 3.259 5.865 ( -0.156 -5.633 -0.464) 5.655 6.064 ( -0.211 -2.030 -0.213) 2.052 6.131 ( 0.103 -3.577 0.084) 3.580 ======================= Grid point 151 (78/91) ======================= q-point: ( 0.20 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 151 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( -0.422 8.929 0.816) 8.976 1.544 ( 4.308 8.136 2.324) 9.495 1.566 ( -0.203 6.111 -5.132) 7.983 1.580 ( 2.317 7.889 -0.029) 8.222 1.685 ( -0.085 5.693 -1.706) 5.943 1.835 ( -1.463 5.421 -1.581) 5.833 1.852 ( -1.334 2.854 -1.769) 3.613 1.901 ( -2.598 3.850 -0.805) 4.714 2.047 ( -2.090 1.250 0.154) 2.440 2.078 ( 0.471 3.423 -1.899) 3.943 2.169 ( -0.273 1.667 -5.182) 5.450 2.243 ( 1.863 1.944 2.655) 3.782 2.478 ( 1.464 1.444 2.235) 3.037 2.488 ( 6.026 -0.402 1.709) 6.276 2.610 ( -1.718 -3.189 4.993) 6.168 2.647 ( -1.963 -3.681 0.518) 4.204 2.800 ( -0.559 3.110 1.252) 3.399 2.925 ( -0.664 -2.188 -1.227) 2.595 3.110 ( 1.551 6.189 -2.853) 6.989 3.262 ( -5.264 6.479 2.381) 8.680 3.327 ( -0.377 8.878 2.025) 9.114 3.403 ( -1.260 2.188 -0.157) 2.529 3.435 ( 0.136 9.253 -1.914) 9.450 3.458 ( -0.619 8.182 1.561) 8.352 3.533 ( 0.178 3.970 1.069) 4.115 3.582 ( -1.433 0.961 2.792) 3.282 3.798 ( 1.122 2.045 -2.074) 3.122 3.849 ( 0.422 3.580 -3.140) 4.781 3.959 ( 1.105 1.178 0.096) 1.618 3.987 ( -0.093 0.713 0.107) 0.727 4.029 ( 1.049 -0.307 -1.832) 2.133 4.121 ( 2.728 -0.103 -0.413) 2.761 4.275 ( -0.273 0.508 -0.482) 0.751 4.291 ( 0.371 -1.642 1.146) 2.037 4.364 ( -0.675 0.434 -0.066) 0.805 4.372 ( -1.507 -0.992 0.407) 1.850 4.402 ( -1.777 -1.322 -0.569) 2.286 4.462 ( -1.074 0.764 0.632) 1.462 4.487 ( -0.617 1.729 1.161) 2.172 4.552 ( 2.638 -0.229 0.697) 2.738 4.600 ( -3.447 0.169 -1.271) 3.678 4.629 ( 0.642 1.531 -0.230) 1.676 4.666 ( 0.835 2.164 1.145) 2.587 4.746 ( -0.866 0.258 -0.421) 0.997 4.795 ( 3.071 0.770 0.950) 3.305 4.829 ( 1.853 -0.123 1.023) 2.120 4.838 ( 1.936 2.124 -1.340) 3.171 4.955 ( -0.226 -1.471 -0.824) 1.701 4.975 ( -1.216 -1.026 2.191) 2.708 5.058 ( 1.347 0.984 -2.317) 2.855 5.202 ( -2.678 -1.184 1.524) 3.301 5.256 ( -0.915 -1.100 -0.312) 1.464 5.398 ( -2.244 -1.023 -1.011) 2.665 5.422 ( 1.690 0.699 -1.980) 2.696 5.548 ( 2.047 1.159 -0.519) 2.409 5.602 ( -1.236 -2.329 3.362) 4.273 5.752 ( 2.058 -3.920 -1.269) 4.605 5.842 ( -2.166 -5.449 0.311) 5.872 6.066 ( 0.369 -2.043 0.323) 2.101 6.130 ( -0.242 -3.526 -0.179) 3.538 ======================= Grid point 152 (79/91) ======================= q-point: ( 0.40 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 151 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 1.806 8.981 -0.647) 9.184 1.523 ( -1.136 4.800 -3.499) 6.047 1.620 ( 2.469 5.385 0.085) 5.925 1.661 ( 2.538 4.926 2.200) 5.962 1.688 ( 4.678 5.154 0.272) 6.965 1.789 ( -2.036 5.530 -0.202) 5.896 1.817 ( -2.898 8.457 -1.430) 9.053 1.866 ( 1.189 5.563 -2.429) 6.186 1.994 ( -5.324 0.303 -7.704) 9.370 1.998 ( -1.726 3.754 -0.698) 4.191 2.187 ( 1.895 1.592 -0.876) 2.625 2.288 ( 0.919 0.803 3.174) 3.400 2.496 ( -0.734 1.407 1.022) 1.888 2.585 ( -1.191 -4.929 4.051) 6.490 2.630 ( 3.378 -3.240 3.605) 5.908 2.648 ( 2.336 -0.552 0.881) 2.557 2.785 ( -2.752 6.502 2.445) 7.472 2.898 ( -1.185 -3.931 -0.544) 4.141 3.103 ( 0.472 7.494 -7.408) 10.549 3.203 ( -2.477 7.072 3.585) 8.306 3.326 ( -1.075 3.939 0.599) 4.127 3.344 ( -3.135 1.464 3.591) 4.987 3.461 ( 1.596 10.815 0.051) 10.932 3.473 ( 1.851 4.671 -2.479) 5.603 3.534 ( -0.626 4.511 0.885) 4.639 3.594 ( 0.868 6.252 2.678) 6.857 3.789 ( -0.143 3.238 -3.473) 4.750 3.825 ( -0.763 1.363 -1.962) 2.508 3.982 ( 1.295 1.615 -0.244) 2.085 3.989 ( 0.206 1.595 -0.202) 1.621 4.051 ( 2.060 1.443 -0.264) 2.528 4.156 ( 0.274 -0.675 -0.190) 0.752 4.260 ( -0.999 -0.248 0.346) 1.085 4.291 ( -0.302 0.364 -0.429) 0.639 4.345 ( -1.812 -0.180 0.146) 1.827 4.350 ( -0.559 -0.120 -0.270) 0.632 4.383 ( 0.357 -0.684 -0.561) 0.954 4.455 ( -0.212 -0.155 1.797) 1.817 4.488 ( -0.121 1.046 1.207) 1.601 4.546 ( -1.531 0.594 -1.614) 2.303 4.603 ( 2.157 -1.201 1.425) 2.850 4.640 ( 0.427 1.295 0.376) 1.415 4.677 ( -0.107 1.209 0.694) 1.398 4.714 ( -1.854 1.559 -0.669) 2.513 4.829 ( 0.069 -1.565 1.750) 2.348 4.871 ( -0.459 1.897 2.733) 3.358 4.896 ( 5.281 2.733 -3.308) 6.805 4.941 ( -0.289 -3.761 -1.664) 4.123 4.987 ( 1.966 0.394 1.476) 2.490 5.060 ( 0.404 1.397 -0.829) 1.674 5.144 ( -3.403 -3.838 -1.873) 5.461 5.251 ( -0.237 0.205 0.237) 0.393 5.336 ( -2.910 -0.360 -0.359) 2.955 5.429 ( 0.169 1.086 -0.578) 1.242 5.580 ( 0.412 0.056 1.543) 1.598 5.629 ( 2.303 -0.404 0.659) 2.429 5.762 ( -0.322 -4.719 -1.496) 4.961 5.815 ( -0.553 -5.728 0.863) 5.819 6.081 ( 0.927 -2.255 0.789) 2.563 6.119 ( -0.805 -3.148 -0.588) 3.302 ======================= Grid point 153 (80/91) ======================= q-point: (-0.40 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 151 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 1.481 9.749 -2.659) 10.213 1.497 ( -0.075 5.359 -1.001) 5.452 1.645 ( 0.438 3.723 -2.366) 4.433 1.671 ( 0.637 5.441 -1.058) 5.579 1.737 ( -2.850 3.998 -1.050) 5.021 1.771 ( -0.076 9.453 1.958) 9.654 1.824 ( -0.385 1.841 -3.542) 4.010 1.878 ( 4.737 2.741 0.279) 5.480 1.901 ( 2.743 7.743 -3.073) 8.771 1.995 ( 1.858 2.463 -0.227) 3.094 2.172 ( -3.712 1.484 1.064) 4.137 2.307 ( -0.599 0.819 1.008) 1.430 2.482 ( -1.393 0.863 2.457) 2.953 2.583 ( -1.355 -2.992 4.114) 5.264 2.653 ( -2.387 -5.708 0.140) 6.188 2.689 ( -0.918 0.891 -2.372) 2.695 2.769 ( 1.521 4.627 3.552) 6.028 2.896 ( -0.414 -3.106 3.401) 4.625 3.052 ( -0.634 9.882 -4.768) 10.990 3.214 ( 1.103 6.631 2.001) 7.014 3.323 ( 0.523 2.431 0.950) 2.661 3.344 ( 0.460 3.368 2.976) 4.518 3.464 ( 0.028 3.740 -1.674) 4.098 3.497 ( 1.445 9.817 -2.095) 10.142 3.529 ( -0.467 5.880 1.152) 6.010 3.632 ( 2.311 6.331 -0.750) 6.781 3.767 ( 0.118 2.626 -2.054) 3.336 3.807 ( -0.495 0.343 -0.261) 0.656 3.982 ( -0.308 1.052 -0.227) 1.119 4.001 ( 0.593 2.061 -1.285) 2.500 4.060 ( -1.325 2.147 -1.240) 2.812 4.136 ( -1.944 -0.130 1.791) 2.647 4.256 ( -0.148 0.253 0.804) 0.856 4.290 ( 0.906 -0.339 -0.409) 1.050 4.331 ( 0.355 1.008 0.501) 1.180 4.354 ( 0.739 -1.559 0.790) 1.898 4.387 ( 0.542 -0.660 -1.302) 1.557 4.465 ( -0.231 -0.358 1.138) 1.215 4.508 ( 1.899 1.422 1.042) 2.591 4.522 ( -0.231 0.792 -1.525) 1.734 4.623 ( -1.716 -0.522 0.914) 2.013 4.640 ( -0.052 -0.839 -1.866) 2.047 4.677 ( -0.138 2.343 1.624) 2.854 4.705 ( 1.204 2.241 0.603) 2.615 4.813 ( -4.039 0.929 3.479) 5.411 4.850 ( -1.262 0.107 0.838) 1.519 4.918 ( -0.568 -2.967 -2.179) 3.725 4.953 ( 1.243 -0.165 -2.906) 3.165 4.998 ( -1.447 2.218 0.597) 2.714 5.079 ( -1.306 -2.013 -2.698) 3.611 5.120 ( 6.040 -1.647 0.425) 6.275 5.242 ( -1.045 0.701 0.990) 1.601 5.324 ( 1.172 -0.559 0.917) 1.590 5.424 ( -0.598 1.156 0.136) 1.308 5.570 ( -2.377 0.779 1.571) 2.954 5.670 ( 2.424 -0.717 -2.444) 3.516 5.740 ( -1.504 -4.946 0.676) 5.214 5.827 ( 1.357 -6.230 -0.328) 6.385 6.097 ( -1.049 -2.585 -0.856) 2.918 6.105 ( 1.077 -2.766 0.858) 3.089 ======================= Grid point 154 (81/91) ======================= q-point: (-0.20 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 151 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 0.344 9.624 -2.334) 9.909 1.493 ( -0.939 8.663 1.499) 8.842 1.609 ( -2.403 7.476 -2.690) 8.301 1.632 ( -2.560 4.274 -6.279) 8.015 1.686 ( 1.230 4.856 -2.133) 5.445 1.812 ( 2.488 4.409 0.427) 5.080 1.838 ( 4.515 4.718 -0.245) 6.535 1.915 ( 1.023 4.719 -2.464) 5.421 2.007 ( 3.924 1.294 4.467) 6.085 2.061 ( 4.407 1.095 -0.679) 4.591 2.100 ( -3.286 3.121 2.215) 5.044 2.278 ( -2.200 2.028 -0.869) 3.116 2.474 ( -1.448 2.673 0.773) 3.137 2.543 ( -7.114 -1.597 -0.884) 7.344 2.582 ( -1.681 -2.338 4.676) 5.492 2.679 ( 1.129 -4.993 -1.370) 5.300 2.824 ( 1.010 5.728 0.537) 5.841 2.892 ( -0.956 -4.346 2.534) 5.121 3.057 ( 1.991 8.174 0.888) 8.460 3.260 ( 2.570 9.390 1.899) 9.918 3.330 ( -0.475 4.796 1.718) 5.116 3.388 ( 1.786 5.761 0.246) 6.037 3.455 ( 0.493 2.659 -2.002) 3.364 3.487 ( -0.913 8.305 -0.679) 8.382 3.528 ( -0.816 6.378 1.391) 6.578 3.651 ( 0.872 1.849 -3.666) 4.197 3.773 ( 0.819 1.419 0.257) 1.659 3.809 ( 0.928 1.882 0.182) 2.106 3.970 ( -1.157 0.561 -0.906) 1.573 3.994 ( 0.191 0.602 -0.261) 0.684 4.022 ( -1.140 1.429 -1.605) 2.433 4.110 ( -1.605 0.939 0.724) 1.995 4.259 ( -0.068 0.249 1.298) 1.324 4.310 ( 0.395 -0.801 -1.034) 1.366 4.347 ( 0.871 1.380 0.911) 1.869 4.386 ( 2.336 -1.885 -0.254) 3.012 4.390 ( 0.489 -2.552 0.659) 2.681 4.465 ( 0.117 0.476 0.277) 0.563 4.515 ( 0.338 2.294 -1.468) 2.744 4.552 ( -0.732 -0.102 1.141) 1.359 4.573 ( -1.230 1.403 1.043) 2.138 4.627 ( 0.242 1.339 -1.113) 1.757 4.685 ( -0.115 2.487 0.176) 2.495 4.732 ( 0.334 0.772 1.523) 1.740 4.783 ( -0.236 1.578 1.636) 2.286 4.835 ( -1.620 -0.802 -0.516) 1.880 4.849 ( -4.012 -0.975 -1.354) 4.345 4.947 ( 0.519 -2.329 -0.517) 2.441 4.997 ( -0.241 0.907 0.754) 1.204 5.052 ( -0.181 -0.088 -2.285) 2.293 5.222 ( 1.399 -0.031 2.490) 2.856 5.237 ( 2.856 -1.394 -1.390) 3.469 5.363 ( 1.611 -0.460 1.248) 2.089 5.411 ( -0.717 0.690 0.540) 1.132 5.537 ( -1.513 1.540 0.503) 2.217 5.672 ( 0.021 -2.825 -3.911) 4.824 5.721 ( -1.365 -3.763 2.038) 4.492 5.853 ( 1.708 -5.995 -0.735) 6.277 6.075 ( -0.744 -2.185 -0.680) 2.406 6.124 ( 0.578 -3.325 0.454) 3.405 ======================= Grid point 155 (82/91) ======================= q-point: ( 0.00 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -1.450 5.466 0.329) 5.665 1.614 ( 1.165 2.160 -3.061) 3.924 1.694 ( 0.040 2.525 -0.364) 2.552 1.705 ( -0.707 4.974 -0.455) 5.045 1.806 ( 1.028 5.725 -1.274) 5.954 1.846 ( 0.423 0.534 -0.448) 0.816 1.931 ( -1.144 0.527 -0.130) 1.266 1.975 ( 1.981 1.539 -2.082) 3.260 2.084 ( 0.530 -0.088 2.819) 2.870 2.138 ( 1.928 3.433 -2.023) 4.427 2.184 ( 2.156 1.065 1.522) 2.845 2.269 ( -2.549 1.434 -2.337) 3.743 2.411 ( 0.266 -2.361 1.410) 2.763 2.441 ( -2.662 -1.679 -1.986) 3.722 2.487 ( -0.710 -7.016 4.163) 8.189 2.566 ( 0.790 -4.741 0.588) 4.842 2.866 ( -0.797 4.485 -0.907) 4.645 2.950 ( 0.996 1.202 2.192) 2.691 3.205 ( 0.830 3.982 0.033) 4.068 3.326 ( -0.348 -2.213 1.314) 2.597 3.453 ( -2.196 1.748 0.567) 2.864 3.492 ( -2.250 3.331 3.679) 5.450 3.535 ( 1.821 4.186 0.235) 4.571 3.586 ( 2.289 0.754 -2.343) 3.361 3.626 ( -3.823 5.169 0.773) 6.476 3.725 ( 0.007 8.275 -0.880) 8.322 3.785 ( 0.429 -1.572 0.773) 1.803 3.881 ( 3.126 0.212 -3.024) 4.355 3.998 ( -0.220 1.607 0.499) 1.697 4.011 ( 0.828 2.158 1.500) 2.756 4.039 ( -0.789 2.673 -2.001) 3.431 4.125 ( 0.501 1.312 -2.177) 2.591 4.271 ( -0.761 0.705 -1.186) 1.576 4.300 ( -1.362 1.254 1.837) 2.608 4.328 ( 0.495 -2.029 0.700) 2.203 4.353 ( 0.164 -2.663 0.917) 2.821 4.450 ( 1.000 4.711 -0.663) 4.862 4.495 ( 0.434 1.500 0.647) 1.690 4.531 ( -1.026 2.139 0.621) 2.452 4.566 ( -0.668 1.159 -0.799) 1.558 4.611 ( 0.701 -0.095 0.646) 0.958 4.640 ( 0.048 -0.495 -2.416) 2.466 4.716 ( -1.190 1.687 1.899) 2.805 4.733 ( 0.596 -0.712 0.311) 0.980 4.801 ( -0.403 1.572 -0.001) 1.623 4.819 ( 0.919 1.728 0.959) 2.179 4.851 ( 0.679 0.370 -0.335) 0.843 4.915 ( 0.710 -1.993 0.078) 2.117 4.983 ( -1.146 -0.544 0.100) 1.273 5.033 ( 0.287 -0.838 -2.174) 2.347 5.224 ( -1.402 -0.674 0.777) 1.739 5.242 ( 0.460 -0.668 0.211) 0.838 5.374 ( 0.505 -2.463 0.363) 2.540 5.378 ( 0.979 -2.615 -1.250) 3.059 5.564 ( -0.666 0.703 1.477) 1.766 5.586 ( -0.610 1.151 -0.852) 1.556 5.662 ( 0.464 -2.799 -0.226) 2.847 5.747 ( -0.040 -5.315 -0.034) 5.315 6.051 ( -0.092 0.111 -0.119) 0.187 6.080 ( 0.017 -1.557 0.028) 1.558 ======================= Grid point 156 (83/91) ======================= q-point: ( 0.20 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -0.518 5.580 0.333) 5.614 1.605 ( -0.653 0.423 -1.898) 2.051 1.690 ( 0.127 3.210 -0.339) 3.230 1.706 ( 0.925 5.027 0.636) 5.151 1.805 ( 0.142 5.228 -1.787) 5.527 1.863 ( 1.383 0.380 -0.790) 1.638 1.906 ( -1.100 1.840 0.465) 2.194 1.978 ( -0.480 0.492 -2.026) 2.140 2.077 ( -1.532 1.899 -0.320) 2.461 2.121 ( -1.642 1.336 -4.509) 4.981 2.216 ( 1.548 3.617 -2.514) 4.669 2.270 ( 1.562 0.891 3.980) 4.367 2.421 ( 1.329 -4.757 1.187) 5.080 2.455 ( 1.578 -2.769 2.259) 3.907 2.478 ( -2.034 -5.467 2.701) 6.428 2.577 ( 0.614 -4.112 -0.358) 4.173 2.869 ( 0.918 3.724 1.218) 4.025 2.940 ( -2.093 0.949 -1.192) 2.589 3.230 ( 1.917 4.568 -1.262) 5.112 3.310 ( -2.186 -0.080 2.351) 3.211 3.401 ( -2.760 1.423 0.873) 3.225 3.456 ( -3.922 2.527 2.365) 5.231 3.540 ( -3.210 1.997 -1.039) 3.920 3.559 ( -0.060 1.963 1.751) 2.631 3.648 ( 2.613 5.908 1.479) 6.627 3.730 ( 1.193 8.217 -1.169) 8.385 3.819 ( 2.033 -1.128 -0.781) 2.453 3.894 ( 0.741 -0.314 -4.511) 4.583 4.009 ( 1.192 1.009 0.612) 1.677 4.023 ( 0.764 4.299 -1.461) 4.604 4.044 ( 1.713 1.770 1.248) 2.762 4.125 ( 1.120 0.849 -1.286) 1.905 4.272 ( -0.695 0.405 1.217) 1.459 4.287 ( 0.131 0.162 0.819) 0.845 4.333 ( -0.841 -1.154 1.163) 1.842 4.358 ( 0.545 -1.746 -0.383) 1.869 4.449 ( -0.426 4.454 -1.084) 4.604 4.489 ( -2.002 2.641 0.217) 3.321 4.512 ( -1.818 0.660 1.621) 2.524 4.561 ( 1.424 1.168 -0.181) 1.850 4.594 ( -2.280 -0.429 -0.528) 2.379 4.643 ( 1.323 -0.080 -1.033) 1.681 4.700 ( -1.222 0.914 0.772) 1.710 4.746 ( 0.075 0.075 0.961) 0.967 4.808 ( 0.470 1.269 0.188) 1.366 4.853 ( 2.857 1.480 -0.762) 3.306 4.872 ( 2.547 0.719 -1.241) 2.923 4.916 ( 0.085 -1.241 -1.308) 1.805 4.968 ( -0.665 -0.477 1.331) 1.562 5.056 ( 2.512 -1.443 -0.753) 2.993 5.176 ( -4.191 -0.684 -0.031) 4.246 5.239 ( -0.865 -1.055 1.214) 1.826 5.357 ( -1.207 -2.181 -1.214) 2.773 5.406 ( 1.485 -2.386 -0.389) 2.837 5.569 ( 0.099 0.169 2.634) 2.641 5.585 ( 0.917 1.865 -0.736) 2.204 5.674 ( 1.113 -3.361 -0.822) 3.634 5.732 ( -1.552 -4.794 0.125) 5.040 6.051 ( 0.086 0.043 0.159) 0.186 6.080 ( -0.076 -1.543 -0.044) 1.545 ======================= Grid point 157 (84/91) ======================= q-point: ( 0.40 0.42 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 1.839 4.941 -1.069) 5.380 1.577 ( -0.762 1.458 -2.038) 2.619 1.693 ( 0.368 2.048 -0.420) 2.123 1.749 ( 2.995 2.775 1.626) 4.395 1.796 ( 0.045 4.652 -1.471) 4.879 1.854 ( -1.470 2.017 -0.863) 2.641 1.916 ( 0.177 -0.007 -0.554) 0.582 1.949 ( 0.085 1.166 -1.059) 1.577 2.025 ( -3.104 4.184 -1.318) 5.374 2.071 ( -0.905 3.311 -3.472) 4.882 2.230 ( 0.764 2.504 -0.713) 2.714 2.303 ( -0.341 1.002 3.018) 3.198 2.441 ( -1.716 -5.556 1.838) 6.098 2.469 ( 1.736 -5.955 1.534) 6.390 2.504 ( 1.148 -3.123 2.038) 3.901 2.594 ( 1.278 -5.126 -0.137) 5.285 2.884 ( -2.188 2.670 2.035) 4.007 2.897 ( -0.315 1.430 -0.548) 1.563 3.240 ( 0.925 4.657 -3.068) 5.653 3.291 ( -1.463 1.146 2.718) 3.293 3.372 ( -2.658 5.576 1.106) 6.275 3.422 ( 0.976 1.969 0.369) 2.228 3.495 ( -1.471 1.236 -0.159) 1.928 3.564 ( -0.287 0.476 1.742) 1.829 3.685 ( 0.358 6.314 1.632) 6.531 3.754 ( 2.320 5.977 -1.874) 6.680 3.820 ( -0.619 0.478 -1.071) 1.325 3.870 ( -0.257 0.735 -3.836) 3.914 4.028 ( 0.661 1.805 0.345) 1.952 4.038 ( 0.473 1.586 -0.209) 1.668 4.100 ( 3.802 3.668 0.216) 5.287 4.143 ( 0.363 0.235 -0.028) 0.433 4.254 ( -1.070 0.930 0.623) 1.549 4.288 ( -1.038 -0.240 -0.510) 1.182 4.319 ( -1.126 -1.383 1.109) 2.100 4.381 ( 1.860 0.259 0.127) 1.882 4.420 ( -2.823 3.681 0.872) 4.720 4.455 ( -0.940 0.248 1.884) 2.120 4.507 ( -0.058 1.497 0.533) 1.590 4.556 ( -0.922 0.618 -1.601) 1.948 4.593 ( 1.747 0.419 -0.099) 1.799 4.643 ( -0.013 -0.693 -2.041) 2.155 4.696 ( -0.076 0.990 0.928) 1.359 4.746 ( -0.920 0.692 1.985) 2.295 4.815 ( 0.185 0.339 0.310) 0.495 4.869 ( 0.226 -1.625 -3.131) 3.535 4.911 ( 0.413 1.374 0.620) 1.563 4.945 ( 3.295 1.861 -0.899) 3.890 4.984 ( 3.394 -0.944 0.021) 3.523 5.070 ( -2.986 -3.607 -0.839) 4.757 5.100 ( -1.516 2.252 -0.519) 2.764 5.233 ( -0.542 -2.426 1.282) 2.797 5.325 ( -1.390 0.184 -0.369) 1.450 5.423 ( 0.354 -1.950 0.282) 2.001 5.587 ( -0.238 0.366 2.310) 2.351 5.610 ( 2.236 -0.365 -0.857) 2.423 5.679 ( -0.399 -3.066 -0.849) 3.206 5.707 ( -0.697 -4.453 0.086) 4.508 6.056 ( 0.326 -0.374 0.403) 0.639 6.076 ( -0.258 -1.271 -0.221) 1.316 ======================= Grid point 158 (85/91) ======================= q-point: (-0.40 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 0.841 3.829 -3.003) 4.938 1.578 ( 3.168 3.281 -2.167) 5.050 1.695 ( 0.224 1.557 -0.689) 1.718 1.785 ( -2.203 -1.224 -1.819) 3.108 1.788 ( 0.166 5.477 -0.481) 5.501 1.837 ( 1.897 3.183 0.888) 3.810 1.909 ( 1.357 1.370 -0.990) 2.167 1.937 ( -1.988 3.111 0.038) 3.692 2.018 ( 2.489 1.450 0.625) 2.948 2.043 ( -0.463 4.123 -0.921) 4.250 2.217 ( -2.162 2.770 0.746) 3.592 2.318 ( 0.581 0.687 1.486) 1.737 2.433 ( -0.643 -3.983 2.158) 4.576 2.482 ( -0.728 -5.089 0.289) 5.149 2.526 ( 0.061 -5.142 0.325) 5.152 2.600 ( -0.584 -5.675 -1.850) 5.998 2.851 ( -1.832 3.109 3.502) 5.028 2.905 ( 0.055 0.517 1.872) 1.943 3.210 ( -1.888 4.913 -1.081) 5.373 3.319 ( 1.010 -0.146 0.231) 1.046 3.354 ( 2.035 6.704 1.650) 7.198 3.455 ( 2.327 4.372 -1.841) 5.283 3.488 ( 0.469 0.740 0.688) 1.114 3.577 ( 0.869 0.722 0.222) 1.152 3.690 ( -0.908 5.651 1.956) 6.048 3.767 ( 0.892 2.977 -3.881) 4.972 3.813 ( -0.579 2.323 2.040) 3.146 3.837 ( -0.588 1.439 -3.070) 3.441 4.024 ( -1.244 2.088 0.425) 2.467 4.041 ( -0.388 0.703 -0.095) 0.808 4.110 ( -2.832 2.895 -0.998) 4.171 4.148 ( 0.732 2.308 -0.446) 2.462 4.257 ( 1.090 0.929 0.284) 1.460 4.281 ( 0.950 -0.835 0.343) 1.310 4.317 ( 0.153 -1.284 1.254) 1.801 4.377 ( -2.869 1.591 1.841) 3.761 4.405 ( 0.897 2.069 0.330) 2.280 4.473 ( 0.706 1.114 0.951) 1.626 4.516 ( 1.006 0.022 0.649) 1.198 4.543 ( 0.755 1.193 -1.571) 2.112 4.620 ( 1.197 -0.049 0.109) 1.203 4.625 ( -0.247 -0.238 -3.100) 3.119 4.701 ( 0.062 0.706 0.505) 0.870 4.748 ( -0.394 0.823 2.582) 2.739 4.813 ( -0.802 0.284 0.534) 1.005 4.849 ( -0.536 -1.901 -1.937) 2.767 4.881 ( -3.383 1.815 2.031) 4.343 4.972 ( -1.668 0.732 -2.451) 3.054 4.995 ( -0.685 -1.652 -0.861) 1.985 5.084 ( 6.179 -2.053 -1.991) 6.808 5.091 ( 0.074 2.456 0.486) 2.505 5.238 ( 0.221 -1.974 0.769) 2.130 5.312 ( -0.089 0.404 0.870) 0.964 5.420 ( -0.920 -1.900 0.549) 2.181 5.585 ( -1.209 0.804 1.324) 1.965 5.632 ( 0.574 -2.112 -1.833) 2.855 5.665 ( -0.532 -2.070 0.613) 2.223 5.710 ( 1.025 -4.720 -0.308) 4.840 6.061 ( -0.146 -0.709 -0.021) 0.725 6.073 ( 0.180 -0.979 0.039) 0.996 ======================= Grid point 159 (86/91) ======================= q-point: (-0.20 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 0.739 4.815 -2.202) 5.346 1.609 ( 1.691 2.655 -2.617) 4.093 1.694 ( 0.257 2.109 -0.902) 2.308 1.730 ( -1.602 3.077 -1.830) 3.922 1.793 ( 0.764 5.299 -0.503) 5.377 1.852 ( -0.703 1.891 0.360) 2.050 1.925 ( 2.039 2.757 -1.762) 3.856 1.956 ( 1.549 -1.132 0.047) 1.919 2.036 ( 0.504 1.067 3.924) 4.098 2.087 ( 3.934 1.632 -0.512) 4.290 2.183 ( -2.014 4.926 1.237) 5.463 2.319 ( -1.042 1.901 -1.235) 2.495 2.435 ( -2.769 -4.692 0.367) 5.460 2.458 ( 0.446 -4.701 2.776) 5.478 2.520 ( -1.566 -5.879 -4.357) 7.483 2.551 ( -1.768 -2.887 2.131) 4.000 2.880 ( 0.813 1.677 3.405) 3.882 2.908 ( 0.071 1.778 0.880) 1.985 3.193 ( 0.143 5.061 0.743) 5.117 3.320 ( -0.514 -0.863 1.529) 1.830 3.428 ( 4.496 2.197 -1.888) 5.349 3.490 ( 1.289 7.020 1.269) 7.249 3.507 ( 1.492 0.791 0.254) 1.708 3.576 ( -0.869 1.173 -0.518) 1.549 3.679 ( -2.401 5.668 3.012) 6.853 3.741 ( 0.437 4.614 -6.582) 8.050 3.805 ( -2.772 0.786 3.421) 4.472 3.838 ( 2.543 0.281 -1.457) 2.944 4.004 ( -1.085 2.564 0.794) 2.896 4.014 ( -1.771 0.735 0.175) 1.925 4.067 ( -1.101 3.072 -1.683) 3.671 4.135 ( -0.453 1.503 -1.749) 2.350 4.282 ( 0.944 0.775 0.302) 1.258 4.305 ( 1.067 -0.182 -0.757) 1.321 4.328 ( -1.318 -0.666 1.643) 2.210 4.343 ( -0.775 -1.480 1.294) 2.113 4.427 ( 1.388 3.934 0.382) 4.189 4.482 ( 0.289 1.689 0.767) 1.877 4.542 ( 1.001 -0.490 -0.047) 1.115 4.558 ( 0.633 1.291 -0.244) 1.458 4.608 ( 0.571 1.619 -1.346) 2.181 4.632 ( 0.598 -0.169 -0.838) 1.043 4.708 ( 0.833 -0.053 -0.171) 0.852 4.749 ( -1.531 0.083 1.440) 2.104 4.804 ( -0.149 1.002 0.916) 1.365 4.823 ( -1.960 -0.256 0.753) 2.115 4.849 ( -1.041 1.008 0.902) 1.706 4.918 ( -1.309 -0.999 -0.984) 1.918 4.995 ( 0.240 -0.325 -1.571) 1.622 5.064 ( -1.723 0.373 -1.007) 2.030 5.189 ( 5.041 -1.347 -1.110) 5.334 5.240 ( -0.514 0.125 0.841) 0.994 5.336 ( 1.954 -1.784 0.692) 2.735 5.399 ( -1.709 -2.302 0.543) 2.918 5.570 ( -0.938 1.549 0.771) 1.968 5.612 ( -1.151 -1.381 -1.514) 2.350 5.661 ( -0.300 -2.356 0.276) 2.391 5.734 ( 1.390 -5.122 -0.105) 5.308 6.055 ( -0.264 -0.189 -0.285) 0.432 6.078 ( 0.203 -1.386 0.133) 1.407 ======================= Grid point 160 (87/91) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -0.506 -1.418 -1.160) 1.901 1.614 ( -0.506 1.418 -1.160) 1.901 1.733 ( -0.019 -1.237 0.402) 1.300 1.733 ( -0.019 1.237 0.402) 1.300 1.895 ( 0.702 -2.372 -1.054) 2.689 1.895 ( 0.702 2.372 -1.054) 2.689 1.937 ( 0.132 -4.165 -0.957) 4.276 1.937 ( 0.132 4.165 -0.957) 4.276 2.104 ( 1.656 -2.383 0.231) 2.911 2.104 ( 1.656 2.383 0.231) 2.911 2.294 ( -0.762 -3.462 0.555) 3.588 2.294 ( -0.762 3.462 0.555) 3.588 2.348 ( -0.787 -3.086 -0.305) 3.199 2.348 ( -0.787 3.086 -0.305) 3.199 2.483 ( -0.028 -3.378 0.783) 3.467 2.483 ( -0.028 3.378 0.783) 3.467 2.940 ( 0.318 -2.190 0.614) 2.296 2.940 ( 0.318 2.190 0.614) 2.296 3.271 ( 0.158 -2.766 1.071) 2.970 3.271 ( 0.158 2.766 1.071) 2.970 3.495 ( -2.529 -1.863 2.422) 3.967 3.495 ( -2.529 1.864 2.422) 3.967 3.589 ( 1.275 -1.052 -1.206) 2.046 3.589 ( 1.275 1.052 -1.206) 2.046 3.725 ( -1.327 -3.940 0.806) 4.235 3.725 ( -1.327 3.940 0.806) 4.235 3.843 ( 2.285 -3.748 -2.897) 5.260 3.843 ( 2.285 3.748 -2.897) 5.260 4.007 ( -0.081 -0.441 0.477) 0.655 4.007 ( -0.081 0.441 0.477) 0.655 4.130 ( -0.089 -2.126 -0.967) 2.337 4.130 ( -0.089 2.126 -0.967) 2.337 4.302 ( -1.069 -1.267 1.061) 1.968 4.302 ( -1.069 1.267 1.061) 1.968 4.309 ( 0.447 -1.638 -0.501) 1.770 4.309 ( 0.447 1.638 -0.501) 1.770 4.522 ( -0.287 -1.001 1.893) 2.161 4.522 ( -0.287 1.001 1.893) 2.161 4.560 ( 1.512 -0.475 -1.666) 2.299 4.560 ( 1.512 0.475 -1.666) 2.299 4.627 ( -1.420 -1.466 -0.355) 2.071 4.627 ( -1.420 1.466 -0.355) 2.071 4.725 ( 0.326 -0.580 1.428) 1.575 4.725 ( 0.326 0.580 1.428) 1.575 4.834 ( 0.769 -1.351 0.275) 1.578 4.834 ( 0.769 1.351 0.275) 1.578 4.869 ( 0.386 -2.260 0.220) 2.303 4.869 ( 0.386 2.260 0.220) 2.303 4.998 ( -0.567 -2.171 -2.425) 3.304 4.998 ( -0.567 2.171 -2.425) 3.304 5.228 ( -0.837 -1.145 0.827) 1.642 5.228 ( -0.837 1.145 0.827) 1.642 5.337 ( 0.731 -0.186 -0.174) 0.774 5.337 ( 0.731 0.186 -0.174) 0.774 5.593 ( -0.158 -1.967 0.000) 1.973 5.593 ( -0.158 1.967 0.000) 1.973 5.655 ( 0.013 -3.264 0.093) 3.265 5.655 ( 0.013 3.264 0.093) 3.265 6.059 ( -0.042 -0.656 0.013) 0.657 6.059 ( -0.042 0.656 0.013) 0.657 ======================= Grid point 162 (88/91) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -0.699 -1.339 -0.540) 1.604 1.596 ( -0.699 1.339 -0.540) 1.604 1.737 ( 0.234 -1.665 0.208) 1.694 1.737 ( 0.234 1.665 0.208) 1.694 1.890 ( -0.181 -2.136 -1.520) 2.628 1.890 ( -0.181 2.136 -1.520) 2.628 1.925 ( -0.876 -2.707 -0.093) 2.847 1.925 ( -0.876 2.707 -0.093) 2.847 2.116 ( 0.470 -1.945 -2.434) 3.151 2.116 ( 0.470 1.945 -2.434) 3.151 2.306 ( 0.220 -1.695 1.299) 2.147 2.306 ( 0.220 1.695 1.299) 2.147 2.343 ( 0.554 -3.403 1.486) 3.755 2.343 ( 0.554 3.403 1.486) 3.755 2.491 ( 0.330 -3.502 0.400) 3.540 2.491 ( 0.330 3.502 0.400) 3.540 2.930 ( -1.063 -1.852 -0.360) 2.165 2.930 ( -1.063 1.852 -0.360) 2.165 3.291 ( 0.866 -1.644 0.904) 2.066 3.291 ( 0.866 1.644 0.904) 2.066 3.449 ( -2.817 -2.329 1.831) 4.088 3.449 ( -2.817 2.329 1.831) 4.088 3.573 ( -2.583 -1.130 0.574) 2.877 3.573 ( -2.583 1.130 0.574) 2.877 3.755 ( 2.865 -4.430 0.230) 5.280 3.755 ( 2.865 4.430 0.230) 5.280 3.850 ( 0.945 -3.819 -3.385) 5.190 3.850 ( 0.945 3.819 -3.385) 5.190 4.023 ( 1.438 -0.591 0.135) 1.561 4.023 ( 1.438 0.591 0.135) 1.561 4.128 ( 0.365 -1.897 0.101) 1.934 4.128 ( 0.365 1.897 0.101) 1.934 4.290 ( -0.809 -1.243 0.770) 1.671 4.290 ( -0.809 1.243 0.770) 1.671 4.323 ( 0.992 -1.830 0.381) 2.116 4.323 ( 0.992 1.830 0.381) 2.116 4.506 ( -2.891 -1.245 1.387) 3.440 4.506 ( -2.891 1.245 1.387) 3.440 4.561 ( 0.008 -2.680 -1.310) 2.983 4.561 ( 0.008 2.680 -1.310) 2.983 4.615 ( 0.326 -2.572 -0.721) 2.691 4.615 ( 0.326 2.572 -0.721) 2.691 4.729 ( -0.410 -1.845 0.952) 2.117 4.729 ( -0.410 1.845 0.952) 2.117 4.845 ( 0.343 -1.766 -1.037) 2.076 4.845 ( 0.343 1.766 -1.037) 2.076 4.895 ( 2.902 -1.195 -0.807) 3.240 4.895 ( 2.902 1.195 -0.807) 3.240 4.994 ( 0.595 -3.419 -0.135) 3.473 4.994 ( 0.595 3.419 -0.135) 3.473 5.198 ( -2.817 -2.383 1.192) 3.877 5.198 ( -2.817 2.383 1.192) 3.877 5.352 ( 0.921 -1.858 -0.371) 2.106 5.352 ( 0.921 1.858 -0.371) 2.106 5.597 ( 0.490 -1.844 0.111) 1.911 5.597 ( 0.490 1.844 0.111) 1.911 5.652 ( -0.362 -2.554 0.002) 2.579 5.652 ( -0.362 2.554 0.002) 2.579 6.058 ( -0.045 -0.670 0.086) 0.677 6.058 ( -0.045 0.670 0.086) 0.677 ======================= Grid point 164 (89/91) ======================= q-point: ( 0.40 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 0.801 -0.741 -1.558) 1.903 1.589 ( 0.801 0.741 -1.558) 1.903 1.741 ( 0.004 -2.494 0.140) 2.498 1.741 ( 0.004 2.495 0.140) 2.498 1.881 ( 0.308 -3.320 -1.258) 3.564 1.881 ( 0.308 3.320 -1.258) 3.564 1.914 ( -0.287 -2.599 0.314) 2.634 1.914 ( -0.287 2.599 0.314) 2.634 2.094 ( -1.343 -1.749 -1.817) 2.857 2.094 ( -1.343 1.749 -1.817) 2.857 2.295 ( -1.244 -3.279 1.050) 3.661 2.295 ( -1.244 3.279 1.050) 3.661 2.386 ( 1.893 -2.789 1.647) 3.751 2.386 ( 1.893 2.789 1.647) 3.751 2.496 ( 0.088 -3.130 0.218) 3.138 2.496 ( 0.088 3.130 0.218) 3.138 2.911 ( -1.012 -0.246 0.100) 1.047 2.911 ( -1.012 0.246 0.100) 1.047 3.294 ( -1.163 -1.001 1.436) 2.101 3.294 ( -1.163 1.001 1.436) 2.101 3.448 ( 2.090 -0.301 -1.259) 2.458 3.448 ( 2.090 0.302 -1.259) 2.458 3.531 ( -2.348 -2.793 2.206) 4.264 3.531 ( -2.348 2.794 2.206) 4.264 3.779 ( -0.008 -2.767 -0.750) 2.867 3.779 ( -0.008 2.767 -0.750) 2.867 3.851 ( 1.125 -2.074 -2.417) 3.378 3.851 ( 1.125 2.074 -2.417) 3.378 4.041 ( 0.378 -0.391 -0.308) 0.625 4.041 ( 0.378 0.391 -0.308) 0.625 4.155 ( 1.848 -0.758 1.433) 2.459 4.155 ( 1.848 0.758 1.433) 2.459 4.278 ( -0.803 -1.396 -0.125) 1.616 4.278 ( -0.803 1.396 -0.125) 1.616 4.344 ( 0.649 -3.396 0.454) 3.487 4.344 ( 0.649 3.396 0.454) 3.487 4.456 ( -3.089 -0.236 2.676) 4.094 4.456 ( -3.089 0.236 2.676) 4.094 4.554 ( -0.153 -1.749 -0.939) 1.991 4.554 ( -0.153 1.749 -0.939) 1.991 4.619 ( 1.307 -1.629 -2.757) 3.459 4.619 ( 1.307 1.629 -2.757) 3.459 4.730 ( -0.521 -1.983 1.704) 2.666 4.730 ( -0.521 1.983 1.704) 2.666 4.837 ( -0.146 -1.482 -1.390) 2.037 4.837 ( -0.146 1.482 -1.390) 2.037 4.954 ( 3.623 -2.012 -1.609) 4.445 4.954 ( 3.623 2.012 -1.609) 4.445 4.991 ( -0.947 -3.351 0.561) 3.527 4.991 ( -0.947 3.351 0.561) 3.527 5.162 ( -1.577 -3.665 0.975) 4.107 5.162 ( -1.577 3.665 0.975) 4.107 5.361 ( 0.059 -3.049 0.426) 3.080 5.361 ( 0.059 3.049 0.426) 3.080 5.607 ( 0.438 -1.281 -0.070) 1.356 5.607 ( 0.438 1.281 -0.070) 1.356 5.646 ( -0.249 -0.975 -0.044) 1.007 5.646 ( -0.249 0.975 -0.044) 1.007 6.058 ( -0.011 -0.501 0.109) 0.513 6.058 ( -0.011 0.501 0.109) 0.513 ======================= Grid point 166 (90/91) ======================= q-point: (-0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 2.134 -0.945 -2.898) 3.721 1.603 ( 2.134 0.945 -2.898) 3.721 1.738 ( -0.411 -2.540 0.371) 2.600 1.738 ( -0.411 2.540 0.371) 2.600 1.881 ( 0.466 -3.196 -1.371) 3.508 1.881 ( 0.466 3.196 -1.371) 3.508 1.921 ( 0.860 -3.732 -0.330) 3.844 1.921 ( 0.860 3.732 -0.330) 3.844 2.063 ( -1.504 -1.935 1.582) 2.918 2.063 ( -1.504 1.935 1.582) 2.918 2.292 ( 0.116 -3.730 1.210) 3.923 2.292 ( 0.116 3.730 1.210) 3.923 2.407 ( -0.155 -2.274 -0.500) 2.334 2.407 ( -0.155 2.274 -0.500) 2.334 2.498 ( -0.088 -3.072 -0.099) 3.075 2.498 ( -0.088 3.072 -0.099) 3.075 2.896 ( -1.083 -1.304 2.041) 2.653 2.896 ( -1.082 1.304 2.041) 2.653 3.287 ( -0.683 -2.763 1.483) 3.210 3.287 ( -0.683 2.763 1.483) 3.210 3.462 ( 0.987 -2.818 -2.499) 3.894 3.462 ( 0.987 2.818 -2.499) 3.894 3.546 ( 2.205 -3.254 1.193) 4.108 3.546 ( 2.205 3.254 1.193) 4.108 3.768 ( -0.491 -1.976 0.270) 2.054 3.768 ( -0.491 1.976 0.270) 2.054 3.844 ( -0.560 -0.559 -1.928) 2.084 3.844 ( -0.560 0.559 -1.928) 2.084 4.037 ( -0.741 -0.324 0.115) 0.816 4.037 ( -0.741 0.324 0.115) 0.816 4.174 ( -0.799 -1.327 -0.360) 1.590 4.174 ( -0.799 1.327 -0.360) 1.590 4.271 ( 0.473 -0.565 0.421) 0.849 4.271 ( 0.473 0.565 0.421) 0.849 4.343 ( -0.798 -3.672 0.676) 3.818 4.343 ( -0.798 3.672 0.676) 3.818 4.457 ( 0.937 -2.204 2.702) 3.610 4.457 ( 0.937 2.204 2.702) 3.610 4.548 ( 0.153 -1.579 -0.646) 1.712 4.548 ( 0.153 1.579 -0.646) 1.713 4.621 ( 1.057 -0.593 -2.950) 3.189 4.621 ( 1.057 0.593 -2.950) 3.189 4.731 ( -0.598 -2.052 1.644) 2.696 4.731 ( -0.598 2.052 1.644) 2.696 4.826 ( -0.429 -0.726 -0.464) 0.963 4.826 ( -0.429 0.726 -0.464) 0.963 4.929 ( -3.567 -2.923 0.778) 4.677 4.929 ( -3.567 2.923 0.778) 4.677 5.026 ( 3.044 -3.067 -2.784) 5.141 5.026 ( 3.044 3.067 -2.784) 5.141 5.164 ( 1.408 -4.199 0.728) 4.488 5.164 ( 1.408 4.199 0.728) 4.488 5.356 ( -1.216 -3.374 1.014) 3.727 5.356 ( -1.216 3.374 1.014) 3.727 5.609 ( -0.091 -1.192 -0.272) 1.226 5.609 ( -0.091 1.192 -0.272) 1.226 5.645 ( 0.184 -0.918 0.020) 0.936 5.645 ( 0.184 0.918 0.020) 0.936 6.059 ( 0.015 -0.332 0.051) 0.336 6.059 ( 0.015 0.332 0.051) 0.336 ======================= Grid point 168 (91/91) ======================= q-point: (-0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 1.392 -1.247 -2.793) 3.360 1.619 ( 1.392 1.247 -2.793) 3.360 1.733 ( -0.390 -1.643 0.549) 1.776 1.733 ( -0.390 1.643 0.549) 1.776 1.884 ( 0.954 -3.561 -1.237) 3.889 1.884 ( 0.954 3.561 -1.237) 3.889 1.932 ( 0.820 -2.679 -0.790) 2.911 1.932 ( 0.820 2.679 -0.790) 2.911 2.070 ( 0.655 -2.260 2.647) 3.542 2.070 ( 0.655 2.260 2.647) 3.542 2.304 ( -0.056 -5.682 1.005) 5.770 2.304 ( -0.056 5.682 1.005) 5.770 2.379 ( -1.709 -2.250 -1.950) 3.434 2.379 ( -1.709 2.250 -1.950) 3.434 2.488 ( -0.902 -2.129 0.428) 2.351 2.488 ( -0.902 2.129 0.428) 2.351 2.912 ( 1.190 -0.973 2.328) 2.790 2.912 ( 1.190 0.973 2.328) 2.790 3.277 ( -1.348 -3.114 1.359) 3.655 3.277 ( -1.348 3.114 1.359) 3.655 3.482 ( 2.549 -2.496 -1.395) 3.831 3.482 ( 2.549 2.496 -1.395) 3.831 3.578 ( 0.427 -1.543 0.502) 1.678 3.578 ( 0.427 1.543 0.502) 1.678 3.763 ( -1.592 -2.478 0.725) 3.034 3.763 ( -1.592 2.478 0.725) 3.034 3.821 ( 0.632 -1.501 -2.028) 2.601 3.821 ( 0.632 1.501 -2.028) 2.601 4.018 ( -1.306 -0.377 0.480) 1.442 4.018 ( -1.306 0.377 0.480) 1.442 4.145 ( -0.949 -1.877 -1.459) 2.559 4.145 ( -0.949 1.877 -1.459) 2.559 4.291 ( 0.783 -0.606 1.035) 1.432 4.291 ( 0.783 0.606 1.035) 1.432 4.328 ( -1.071 -1.758 -0.447) 2.106 4.328 ( -1.071 1.758 -0.447) 2.107 4.497 ( 1.407 -2.356 2.314) 3.590 4.497 ( 1.407 2.356 2.314) 3.590 4.549 ( 0.229 -1.983 -0.146) 2.002 4.549 ( 0.229 1.983 -0.146) 2.002 4.633 ( 1.924 -0.870 -2.379) 3.181 4.633 ( 1.924 0.870 -2.379) 3.181 4.722 ( -1.292 -1.943 1.303) 2.673 4.722 ( -1.292 1.943 1.303) 2.673 4.822 ( -0.117 -0.306 1.204) 1.248 4.822 ( -0.117 0.306 1.204) 1.248 4.881 ( -1.945 -2.192 0.349) 2.951 4.881 ( -1.945 2.192 0.349) 2.951 5.029 ( -0.293 -3.105 -3.198) 4.468 5.029 ( -0.293 3.105 -3.198) 4.468 5.209 ( 2.447 -2.717 0.204) 3.662 5.209 ( 2.447 2.717 0.204) 3.662 5.338 ( -1.141 -2.377 0.962) 2.807 5.338 ( -1.141 2.377 0.962) 2.807 5.601 ( -0.506 -1.495 -0.264) 1.601 5.601 ( -0.506 1.496 -0.264) 1.601 5.651 ( 0.349 -2.542 0.116) 2.569 5.651 ( 0.349 2.542 0.116) 2.569 6.059 ( -0.004 -0.541 -0.008) 0.541 6.059 ( -0.004 0.541 -0.008) 0.541 =================== 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 3/18000 10.0 306.033 329.798 395.213 0.000 21.057 0.000 3/18000 20.0 64.094 108.415 86.175 0.000 1.679 0.000 3/18000 30.0 26.424 50.518 36.081 0.000 0.519 0.000 3/18000 40.0 14.741 29.197 19.962 0.000 0.264 0.000 3/18000 50.0 9.768 19.674 13.111 0.000 0.163 0.000 3/18000 60.0 7.203 14.665 9.606 0.000 0.110 0.000 3/18000 70.0 5.691 11.678 7.555 0.000 0.078 0.000 3/18000 80.0 4.709 9.722 6.231 0.000 0.057 0.000 3/18000 90.0 4.025 8.348 5.312 0.000 0.043 0.000 3/18000 100.0 3.520 7.330 4.637 0.000 0.034 0.000 3/18000 110.0 3.134 6.545 4.121 0.000 0.026 0.000 3/18000 120.0 2.827 5.920 3.713 0.000 0.021 0.000 3/18000 130.0 2.578 5.409 3.382 0.000 0.017 0.000 3/18000 140.0 2.371 4.984 3.108 0.000 0.014 0.000 3/18000 150.0 2.196 4.624 2.877 0.000 0.011 0.000 3/18000 160.0 2.046 4.314 2.679 0.000 0.009 0.000 3/18000 170.0 1.916 4.045 2.508 0.000 0.008 0.000 3/18000 180.0 1.803 3.809 2.358 0.000 0.007 0.000 3/18000 190.0 1.702 3.599 2.225 0.000 0.005 0.000 3/18000 200.0 1.612 3.412 2.107 0.000 0.005 0.000 3/18000 210.0 1.532 3.245 2.001 0.000 0.004 0.000 3/18000 220.0 1.459 3.093 1.906 0.000 0.003 0.000 3/18000 230.0 1.394 2.955 1.820 0.000 0.003 0.000 3/18000 240.0 1.334 2.829 1.741 0.000 0.002 0.000 3/18000 250.0 1.279 2.714 1.669 0.000 0.002 0.000 3/18000 260.0 1.228 2.608 1.603 0.000 0.002 0.000 3/18000 270.0 1.182 2.510 1.542 0.000 0.001 0.000 3/18000 280.0 1.138 2.419 1.485 0.000 0.001 0.000 3/18000 290.0 1.098 2.335 1.433 0.000 0.001 0.000 3/18000 300.0 1.061 2.257 1.384 0.000 0.001 0.000 3/18000 310.0 1.026 2.183 1.338 0.000 0.001 0.000 3/18000 320.0 0.994 2.115 1.296 0.000 0.000 0.000 3/18000 330.0 0.963 2.050 1.256 0.000 0.000 0.000 3/18000 340.0 0.935 1.990 1.218 0.000 0.000 0.000 3/18000 350.0 0.908 1.933 1.183 0.000 0.000 0.000 3/18000 360.0 0.882 1.879 1.150 0.000 -0.000 0.000 3/18000 370.0 0.858 1.828 1.118 0.000 -0.000 0.000 3/18000 380.0 0.835 1.780 1.089 0.000 -0.000 0.000 3/18000 390.0 0.814 1.734 1.060 0.000 -0.000 0.000 3/18000 400.0 0.793 1.691 1.034 0.000 -0.000 0.000 3/18000 410.0 0.774 1.649 1.008 0.000 -0.000 0.000 3/18000 420.0 0.755 1.610 0.984 0.000 -0.000 0.000 3/18000 430.0 0.738 1.573 0.961 0.000 -0.000 0.000 3/18000 440.0 0.721 1.537 0.939 0.000 -0.000 0.000 3/18000 450.0 0.705 1.503 0.918 0.000 -0.000 0.000 3/18000 460.0 0.689 1.470 0.898 0.000 -0.001 0.000 3/18000 470.0 0.675 1.439 0.879 0.000 -0.001 0.000 3/18000 480.0 0.661 1.409 0.860 0.000 -0.001 0.000 3/18000 490.0 0.647 1.380 0.843 0.000 -0.001 0.000 3/18000 500.0 0.634 1.353 0.826 0.000 -0.001 0.000 3/18000 510.0 0.622 1.326 0.809 0.000 -0.001 0.000 3/18000 520.0 0.610 1.301 0.794 0.000 -0.001 0.000 3/18000 530.0 0.598 1.277 0.779 0.000 -0.001 0.000 3/18000 540.0 0.587 1.253 0.764 0.000 -0.001 0.000 3/18000 550.0 0.576 1.230 0.750 0.000 -0.001 0.000 3/18000 560.0 0.566 1.208 0.737 0.000 -0.001 0.000 3/18000 570.0 0.556 1.187 0.724 0.000 -0.001 0.000 3/18000 580.0 0.546 1.167 0.712 0.000 -0.001 0.000 3/18000 590.0 0.537 1.147 0.699 0.000 -0.001 0.000 3/18000 600.0 0.528 1.128 0.688 0.000 -0.001 0.000 3/18000 610.0 0.520 1.110 0.676 0.000 -0.001 0.000 3/18000 620.0 0.511 1.092 0.666 0.000 -0.001 0.000 3/18000 630.0 0.503 1.075 0.655 0.000 -0.001 0.000 3/18000 640.0 0.495 1.058 0.645 0.000 -0.001 0.000 3/18000 650.0 0.488 1.042 0.635 0.000 -0.001 0.000 3/18000 660.0 0.480 1.026 0.625 0.000 -0.001 0.000 3/18000 670.0 0.473 1.011 0.616 0.000 -0.001 0.000 3/18000 680.0 0.466 0.996 0.607 0.000 -0.001 0.000 3/18000 690.0 0.459 0.981 0.598 0.000 -0.001 0.000 3/18000 700.0 0.453 0.968 0.589 0.000 -0.001 0.000 3/18000 710.0 0.446 0.954 0.581 0.000 -0.001 0.000 3/18000 720.0 0.440 0.941 0.573 0.000 -0.001 0.000 3/18000 730.0 0.434 0.928 0.565 0.000 -0.001 0.000 3/18000 740.0 0.428 0.915 0.558 0.000 -0.001 0.000 3/18000 750.0 0.423 0.903 0.550 0.000 -0.001 0.000 3/18000 760.0 0.417 0.891 0.543 0.000 -0.001 0.000 3/18000 770.0 0.412 0.880 0.536 0.000 -0.001 0.000 3/18000 780.0 0.406 0.869 0.529 0.000 -0.001 0.000 3/18000 790.0 0.401 0.858 0.522 0.000 -0.001 0.000 3/18000 800.0 0.396 0.847 0.516 0.000 -0.001 0.000 3/18000 810.0 0.391 0.837 0.509 0.000 -0.001 0.000 3/18000 820.0 0.387 0.826 0.503 0.000 -0.001 0.000 3/18000 830.0 0.382 0.817 0.497 0.000 -0.001 0.000 3/18000 840.0 0.377 0.807 0.491 0.000 -0.001 0.000 3/18000 850.0 0.373 0.797 0.485 0.000 -0.001 0.000 3/18000 860.0 0.369 0.788 0.480 0.000 -0.001 0.000 3/18000 870.0 0.364 0.779 0.474 0.000 -0.001 0.000 3/18000 880.0 0.360 0.770 0.469 0.000 -0.001 0.000 3/18000 890.0 0.356 0.762 0.464 0.000 -0.001 0.000 3/18000 900.0 0.352 0.753 0.458 0.000 -0.001 0.000 3/18000 910.0 0.348 0.745 0.453 0.000 -0.001 0.000 3/18000 920.0 0.345 0.737 0.449 0.000 -0.001 0.000 3/18000 930.0 0.341 0.729 0.444 0.000 -0.001 0.000 3/18000 940.0 0.337 0.721 0.439 0.000 -0.001 0.000 3/18000 950.0 0.334 0.714 0.434 0.000 -0.001 0.000 3/18000 960.0 0.330 0.706 0.430 0.000 -0.001 0.000 3/18000 970.0 0.327 0.699 0.425 0.000 -0.001 0.000 3/18000 980.0 0.324 0.692 0.421 0.000 -0.001 0.000 3/18000 990.0 0.320 0.685 0.417 0.000 -0.001 0.000 3/18000 1000.0 0.317 0.678 0.413 0.000 -0.001 0.000 3/18000 Thermal conductivity related properties were written into "kappa-m5125.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:17:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|