----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:21:19]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.808421310013451 0.000000000000000 0.000000000000000 b 0.000000000000000 6.601823670000000 0.000000000000000 c -1.819226887063977 0.000000000000000 5.137924924948772 Atomic positions (fractional): *1 O 0.22848912714796 0.66682202285771 0.95881849682732 15.999 2 O 0.77151087285204 0.66682202285771 0.54118150317268 15.999 3 O 0.77151087285204 0.33317797714229 0.04118150317268 15.999 4 O 0.22848912714796 0.33317797714229 0.45881849682732 15.999 *5 O 0.19661716864254 0.90320346041360 0.49923275139679 15.999 6 O 0.80338283135746 0.90320346041360 0.00076724860321 15.999 7 O 0.19661716864254 0.09679653958640 0.99923275139679 15.999 8 O 0.80338283135746 0.09679653958640 0.50076724860321 15.999 *9 Na 0.00000000000000 0.38544475359318 0.75000000000000 22.990 *10 Na 0.50000000000000 0.39637016339198 0.25000000000000 22.990 *11 Na 0.50000000000000 0.12504308791373 0.75000000000000 22.990 12 Na 0.50000000000000 0.87495691208627 0.25000000000000 22.990 13 Na 0.00000000000000 0.61455524640682 0.25000000000000 22.990 14 Na 0.50000000000000 0.60362983660802 0.75000000000000 22.990 *15 Sb 0.00000000000000 0.86916247039183 0.75000000000000 121.760 16 Sb 0.00000000000000 0.13083752960817 0.25000000000000 121.760 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.808421310013451 0.000000000000000 0.000000000000000 b 0.000000000000000 6.601823670000000 0.000000000000000 c -1.819226887063977 0.000000000000000 5.137924924948772 Atomic positions (fractional): *1 O 0.22848912714796 0.66682202285771 0.95881849682732 15.999 > 1 2 O 0.77151087285204 0.66682202285771 0.54118150317268 15.999 > 2 3 O 0.77151087285204 0.33317797714229 0.04118150317268 15.999 > 3 4 O 0.22848912714796 0.33317797714229 0.45881849682732 15.999 > 4 *5 O 0.19661716864254 0.90320346041360 0.49923275139679 15.999 > 5 6 O 0.80338283135746 0.90320346041360 0.00076724860321 15.999 > 6 7 O 0.19661716864254 0.09679653958640 0.99923275139679 15.999 > 7 8 O 0.80338283135746 0.09679653958640 0.50076724860321 15.999 > 8 *9 Na 0.00000000000000 0.38544475359318 0.75000000000000 22.990 > 9 *10 Na 0.50000000000000 0.39637016339198 0.25000000000000 22.990 > 10 *11 Na 0.50000000000000 0.12504308791373 0.75000000000000 22.990 > 11 12 Na 0.50000000000000 0.87495691208627 0.25000000000000 22.990 > 12 13 Na 0.00000000000000 0.61455524640682 0.25000000000000 22.990 > 13 14 Na 0.50000000000000 0.60362983660802 0.75000000000000 22.990 > 14 *15 Sb 0.00000000000000 0.86916247039183 0.75000000000000 121.760 > 15 16 Sb 0.00000000000000 0.13083752960817 0.25000000000000 121.760 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.616842620026903 0.000000000000000 0.000000000000000 b 0.000000000000000 13.203647340000000 0.000000000000000 c -3.638453774127954 0.000000000000000 10.275849849897543 Atomic positions (fractional): *1 O 0.11424456357398 0.33341101142885 0.47940924841366 15.999 > 1 2 O 0.61424456357398 0.33341101142885 0.47940924841366 15.999 > 1 3 O 0.11424456357398 0.83341101142885 0.47940924841366 15.999 > 1 4 O 0.61424456357398 0.83341101142885 0.47940924841366 15.999 > 1 5 O 0.11424456357398 0.33341101142885 0.97940924841366 15.999 > 1 6 O 0.61424456357398 0.33341101142885 0.97940924841366 15.999 > 1 7 O 0.11424456357398 0.83341101142885 0.97940924841366 15.999 > 1 8 O 0.61424456357398 0.83341101142885 0.97940924841366 15.999 > 1 9 O 0.38575543642602 0.33341101142885 0.27059075158634 15.999 > 2 10 O 0.88575543642602 0.33341101142885 0.27059075158634 15.999 > 2 11 O 0.38575543642602 0.83341101142885 0.27059075158634 15.999 > 2 12 O 0.88575543642602 0.83341101142885 0.27059075158634 15.999 > 2 13 O 0.38575543642602 0.33341101142885 0.77059075158634 15.999 > 2 14 O 0.88575543642602 0.33341101142885 0.77059075158634 15.999 > 2 15 O 0.38575543642602 0.83341101142885 0.77059075158634 15.999 > 2 16 O 0.88575543642602 0.83341101142885 0.77059075158634 15.999 > 2 17 O 0.38575543642602 0.16658898857115 0.02059075158634 15.999 > 3 18 O 0.88575543642602 0.16658898857115 0.02059075158634 15.999 > 3 19 O 0.38575543642602 0.66658898857115 0.02059075158634 15.999 > 3 20 O 0.88575543642602 0.66658898857115 0.02059075158634 15.999 > 3 21 O 0.38575543642602 0.16658898857115 0.52059075158634 15.999 > 3 22 O 0.88575543642602 0.16658898857115 0.52059075158634 15.999 > 3 23 O 0.38575543642602 0.66658898857115 0.52059075158634 15.999 > 3 24 O 0.88575543642602 0.66658898857115 0.52059075158634 15.999 > 3 25 O 0.11424456357398 0.16658898857115 0.22940924841366 15.999 > 4 26 O 0.61424456357398 0.16658898857115 0.22940924841366 15.999 > 4 27 O 0.11424456357398 0.66658898857115 0.22940924841366 15.999 > 4 28 O 0.61424456357398 0.66658898857115 0.22940924841366 15.999 > 4 29 O 0.11424456357398 0.16658898857115 0.72940924841366 15.999 > 4 30 O 0.61424456357398 0.16658898857115 0.72940924841366 15.999 > 4 31 O 0.11424456357398 0.66658898857115 0.72940924841366 15.999 > 4 32 O 0.61424456357398 0.66658898857115 0.72940924841366 15.999 > 4 *33 O 0.09830858432127 0.45160173020680 0.24961637569839 15.999 > 5 34 O 0.59830858432127 0.45160173020680 0.24961637569839 15.999 > 5 35 O 0.09830858432127 0.95160173020680 0.24961637569839 15.999 > 5 36 O 0.59830858432127 0.95160173020680 0.24961637569839 15.999 > 5 37 O 0.09830858432127 0.45160173020680 0.74961637569839 15.999 > 5 38 O 0.59830858432127 0.45160173020680 0.74961637569839 15.999 > 5 39 O 0.09830858432127 0.95160173020680 0.74961637569839 15.999 > 5 40 O 0.59830858432127 0.95160173020680 0.74961637569839 15.999 > 5 41 O 0.40169141567873 0.45160173020680 0.00038362430161 15.999 > 6 42 O 0.90169141567873 0.45160173020680 0.00038362430161 15.999 > 6 43 O 0.40169141567873 0.95160173020680 0.00038362430161 15.999 > 6 44 O 0.90169141567873 0.95160173020680 0.00038362430161 15.999 > 6 45 O 0.40169141567873 0.45160173020680 0.50038362430161 15.999 > 6 46 O 0.90169141567873 0.45160173020680 0.50038362430161 15.999 > 6 47 O 0.40169141567873 0.95160173020680 0.50038362430161 15.999 > 6 48 O 0.90169141567873 0.95160173020680 0.50038362430161 15.999 > 6 49 O 0.09830858432127 0.04839826979320 0.49961637569839 15.999 > 7 50 O 0.59830858432127 0.04839826979320 0.49961637569839 15.999 > 7 51 O 0.09830858432127 0.54839826979320 0.49961637569839 15.999 > 7 52 O 0.59830858432127 0.54839826979320 0.49961637569839 15.999 > 7 53 O 0.09830858432127 0.04839826979320 0.99961637569839 15.999 > 7 54 O 0.59830858432127 0.04839826979320 0.99961637569839 15.999 > 7 55 O 0.09830858432127 0.54839826979320 0.99961637569839 15.999 > 7 56 O 0.59830858432127 0.54839826979320 0.99961637569839 15.999 > 7 57 O 0.40169141567873 0.04839826979320 0.25038362430161 15.999 > 8 58 O 0.90169141567873 0.04839826979320 0.25038362430161 15.999 > 8 59 O 0.40169141567873 0.54839826979320 0.25038362430161 15.999 > 8 60 O 0.90169141567873 0.54839826979320 0.25038362430161 15.999 > 8 61 O 0.40169141567873 0.04839826979320 0.75038362430161 15.999 > 8 62 O 0.90169141567873 0.04839826979320 0.75038362430161 15.999 > 8 63 O 0.40169141567873 0.54839826979320 0.75038362430161 15.999 > 8 64 O 0.90169141567873 0.54839826979320 0.75038362430161 15.999 > 8 *65 Na 0.00000000000000 0.19272237679659 0.37500000000000 22.990 > 9 66 Na 0.50000000000000 0.19272237679659 0.37500000000000 22.990 > 9 67 Na 0.00000000000000 0.69272237679659 0.37500000000000 22.990 > 9 68 Na 0.50000000000000 0.69272237679659 0.37500000000000 22.990 > 9 69 Na 0.00000000000000 0.19272237679659 0.87500000000000 22.990 > 9 70 Na 0.50000000000000 0.19272237679659 0.87500000000000 22.990 > 9 71 Na 0.00000000000000 0.69272237679659 0.87500000000000 22.990 > 9 72 Na 0.50000000000000 0.69272237679659 0.87500000000000 22.990 > 9 *73 Na 0.25000000000000 0.19818508169599 0.12500000000000 22.990 > 10 74 Na 0.75000000000000 0.19818508169599 0.12500000000000 22.990 > 10 75 Na 0.25000000000000 0.69818508169599 0.12500000000000 22.990 > 10 76 Na 0.75000000000000 0.69818508169599 0.12500000000000 22.990 > 10 77 Na 0.25000000000000 0.19818508169599 0.62500000000000 22.990 > 10 78 Na 0.75000000000000 0.19818508169599 0.62500000000000 22.990 > 10 79 Na 0.25000000000000 0.69818508169599 0.62500000000000 22.990 > 10 80 Na 0.75000000000000 0.69818508169599 0.62500000000000 22.990 > 10 *81 Na 0.25000000000000 0.06252154395686 0.37500000000000 22.990 > 11 82 Na 0.75000000000000 0.06252154395686 0.37500000000000 22.990 > 11 83 Na 0.25000000000000 0.56252154395686 0.37500000000000 22.990 > 11 84 Na 0.75000000000000 0.56252154395686 0.37500000000000 22.990 > 11 85 Na 0.25000000000000 0.06252154395686 0.87500000000000 22.990 > 11 86 Na 0.75000000000000 0.06252154395686 0.87500000000000 22.990 > 11 87 Na 0.25000000000000 0.56252154395686 0.87500000000000 22.990 > 11 88 Na 0.75000000000000 0.56252154395686 0.87500000000000 22.990 > 11 89 Na 0.25000000000000 0.43747845604314 0.12500000000000 22.990 > 12 90 Na 0.75000000000000 0.43747845604314 0.12500000000000 22.990 > 12 91 Na 0.25000000000000 0.93747845604314 0.12500000000000 22.990 > 12 92 Na 0.75000000000000 0.93747845604314 0.12500000000000 22.990 > 12 93 Na 0.25000000000000 0.43747845604314 0.62500000000000 22.990 > 12 94 Na 0.75000000000000 0.43747845604314 0.62500000000000 22.990 > 12 95 Na 0.25000000000000 0.93747845604314 0.62500000000000 22.990 > 12 96 Na 0.75000000000000 0.93747845604314 0.62500000000000 22.990 > 12 97 Na 0.00000000000000 0.30727762320341 0.12500000000000 22.990 > 13 98 Na 0.50000000000000 0.30727762320341 0.12500000000000 22.990 > 13 99 Na 0.00000000000000 0.80727762320341 0.12500000000000 22.990 > 13 100 Na 0.50000000000000 0.80727762320341 0.12500000000000 22.990 > 13 101 Na 0.00000000000000 0.30727762320341 0.62500000000000 22.990 > 13 102 Na 0.50000000000000 0.30727762320341 0.62500000000000 22.990 > 13 103 Na 0.00000000000000 0.80727762320341 0.62500000000000 22.990 > 13 104 Na 0.50000000000000 0.80727762320341 0.62500000000000 22.990 > 13 105 Na 0.25000000000000 0.30181491830401 0.37500000000000 22.990 > 14 106 Na 0.75000000000000 0.30181491830401 0.37500000000000 22.990 > 14 107 Na 0.25000000000000 0.80181491830401 0.37500000000000 22.990 > 14 108 Na 0.75000000000000 0.80181491830401 0.37500000000000 22.990 > 14 109 Na 0.25000000000000 0.30181491830401 0.87500000000000 22.990 > 14 110 Na 0.75000000000000 0.30181491830401 0.87500000000000 22.990 > 14 111 Na 0.25000000000000 0.80181491830401 0.87500000000000 22.990 > 14 112 Na 0.75000000000000 0.80181491830401 0.87500000000000 22.990 > 14 *113 Sb 0.00000000000000 0.43458123519592 0.37500000000000 121.760 > 15 114 Sb 0.50000000000000 0.43458123519592 0.37500000000000 121.760 > 15 115 Sb 0.00000000000000 0.93458123519592 0.37500000000000 121.760 > 15 116 Sb 0.50000000000000 0.93458123519592 0.37500000000000 121.760 > 15 117 Sb 0.00000000000000 0.43458123519592 0.87500000000000 121.760 > 15 118 Sb 0.50000000000000 0.43458123519592 0.87500000000000 121.760 > 15 119 Sb 0.00000000000000 0.93458123519592 0.87500000000000 121.760 > 15 120 Sb 0.50000000000000 0.93458123519592 0.87500000000000 121.760 > 15 121 Sb 0.00000000000000 0.06541876480408 0.12500000000000 121.760 > 16 122 Sb 0.50000000000000 0.06541876480408 0.12500000000000 121.760 > 16 123 Sb 0.00000000000000 0.56541876480408 0.12500000000000 121.760 > 16 124 Sb 0.50000000000000 0.56541876480408 0.12500000000000 121.760 > 16 125 Sb 0.00000000000000 0.06541876480408 0.62500000000000 121.760 > 16 126 Sb 0.50000000000000 0.06541876480408 0.62500000000000 121.760 > 16 127 Sb 0.00000000000000 0.56541876480408 0.62500000000000 121.760 > 16 128 Sb 0.50000000000000 0.56541876480408 0.62500000000000 121.760 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0324959 0.0000000 -0.1060585 0.0000000 3.2537623 0.0000000 -0.1060584 0.0000000 3.5155542 -------------------------- Born effective charges -------------------------- 1 O -1.5603841 0.3323298 -0.2245295 0.2895608 -1.9218959 0.3499047 -0.1396680 0.2386838 -1.7133879 2 O -1.5603841 -0.3323298 -0.2245295 -0.2895608 -1.9218959 -0.3499047 -0.1396680 -0.2386838 -1.7133879 3 O -1.5603841 0.3323298 -0.2245295 0.2895608 -1.9218959 0.3499047 -0.1396680 0.2386838 -1.7133879 4 O -1.5603841 -0.3323298 -0.2245295 -0.2895608 -1.9218959 -0.3499047 -0.1396680 -0.2386838 -1.7133879 5 O -1.6707494 -0.0297836 0.4061252 -0.0264835 -1.6126838 0.4557943 0.3569322 0.5335726 -2.2131063 6 O -1.6707494 0.0297836 0.4061252 0.0264835 -1.6126838 -0.4557943 0.3569322 -0.5335726 -2.2131063 7 O -1.6707494 0.0297836 0.4061252 0.0264835 -1.6126838 -0.4557943 0.3569322 -0.5335726 -2.2131063 8 O -1.6707494 -0.0297836 0.4061252 -0.0264835 -1.6126838 0.4557943 0.3569322 0.5335726 -2.2131063 9 Na 0.7443009 0.0000000 -0.1222959 0.0000000 1.2197005 0.0000000 -0.1607346 0.0000000 0.9713890 10 Na 1.2241463 0.0000000 0.1424874 0.0000000 1.2747668 0.0000000 0.2093705 0.0000000 1.0185505 11 Na 1.3187058 0.0000000 0.0809924 0.0000000 0.7515760 0.0000000 0.0505377 0.0000000 1.0332534 12 Na 1.3187058 0.0000000 0.0809924 0.0000000 0.7515760 0.0000000 0.0505377 0.0000000 1.0332534 13 Na 0.7443009 0.0000000 -0.1222959 0.0000000 1.2197005 0.0000000 -0.1607346 0.0000000 0.9713890 14 Na 1.2241463 0.0000000 0.1424874 0.0000000 1.2747668 0.0000000 0.2093705 0.0000000 1.0185505 15 Sb 3.1751139 0.0000000 -0.4643753 0.0000000 3.8231162 0.0000000 -0.5337021 0.0000000 4.8297955 16 Sb 3.1751139 0.0000000 -0.4643753 0.0000000 3.8231162 0.0000000 -0.5337021 0.0000000 4.8297955 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2464 Number of blocks in projector: 2464 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: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 239 eigenvectors found. (2) Block: 544 / 544 (2) 285 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 533 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 320 Use standard eigh solver. Tree of FC basis block matrices: - (2464, 2427), data: False |-- (320, 314), data: True |-- (320, 314), data: True |-- (320, 314), data: True |-- (480, 476), data: True |-- (480, 476), data: True |-- (544, 533), data: False |-- (544, 533), data: False |-- (544, 9), data: (544, 20) @ (20, 9) |-- (294, 285), data: True |-- (250, 239), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 0.765 Solver_block: 200 / 480 - Time: 0.701 Solver_block: 300 / 480 - Time: 0.698 Solver_block: 400 / 480 - Time: 0.693 Solver_block: 480 / 480 - Time: 0.577 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.548 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2464 Number of blocks in projector: 2464 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: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 239 eigenvectors found. (2) Block: 544 / 544 (2) 285 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 533 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 320 Use standard eigh solver. Tree of FC basis block matrices: - (2464, 2427), data: False |-- (320, 314), data: True |-- (320, 314), data: True |-- (320, 314), data: True |-- (480, 476), data: True |-- (480, 476), data: True |-- (544, 533), data: False |-- (544, 533), data: False |-- (544, 9), data: (544, 20) @ (20, 9) |-- (294, 285), data: True |-- (250, 239), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:21:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:21:47]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.808421310013451 0.000000000000000 0.000000000000000 b 0.000000000000000 6.601823670000000 0.000000000000000 c -1.819226887063977 0.000000000000000 5.137924924948772 Atomic positions (fractional): 1 O 0.22848912714796 0.66682202285771 0.95881849682732 15.999 2 O 0.77151087285204 0.66682202285771 0.54118150317268 15.999 3 O 0.77151087285204 0.33317797714229 0.04118150317268 15.999 4 O 0.22848912714796 0.33317797714229 0.45881849682732 15.999 5 O 0.19661716864254 0.90320346041360 0.49923275139679 15.999 6 O 0.80338283135746 0.90320346041360 0.00076724860321 15.999 7 O 0.19661716864254 0.09679653958640 0.99923275139679 15.999 8 O 0.80338283135746 0.09679653958640 0.50076724860321 15.999 9 Na 0.00000000000000 0.38544475359318 0.75000000000000 22.990 10 Na 0.50000000000000 0.39637016339198 0.25000000000000 22.990 11 Na 0.50000000000000 0.12504308791373 0.75000000000000 22.990 12 Na 0.50000000000000 0.87495691208627 0.25000000000000 22.990 13 Na 0.00000000000000 0.61455524640682 0.25000000000000 22.990 14 Na 0.50000000000000 0.60362983660802 0.75000000000000 22.990 15 Sb 0.00000000000000 0.86916247039183 0.75000000000000 121.760 16 Sb 0.00000000000000 0.13083752960817 0.25000000000000 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.616842620026903 0.000000000000000 0.000000000000000 b 0.000000000000000 13.203647340000000 0.000000000000000 c -3.638453774127954 0.000000000000000 10.275849849897543 Atomic positions (fractional): 1 O 0.11424456357398 0.33341101142885 0.47940924841366 15.999 > 1 2 O 0.61424456357398 0.33341101142885 0.47940924841366 15.999 > 1 3 O 0.11424456357398 0.83341101142885 0.47940924841366 15.999 > 1 4 O 0.61424456357398 0.83341101142885 0.47940924841366 15.999 > 1 5 O 0.11424456357398 0.33341101142885 0.97940924841366 15.999 > 1 6 O 0.61424456357398 0.33341101142885 0.97940924841366 15.999 > 1 7 O 0.11424456357398 0.83341101142885 0.97940924841366 15.999 > 1 8 O 0.61424456357398 0.83341101142885 0.97940924841366 15.999 > 1 9 O 0.38575543642602 0.33341101142885 0.27059075158634 15.999 > 9 10 O 0.88575543642602 0.33341101142885 0.27059075158634 15.999 > 9 11 O 0.38575543642602 0.83341101142885 0.27059075158634 15.999 > 9 12 O 0.88575543642602 0.83341101142885 0.27059075158634 15.999 > 9 13 O 0.38575543642602 0.33341101142885 0.77059075158634 15.999 > 9 14 O 0.88575543642602 0.33341101142885 0.77059075158634 15.999 > 9 15 O 0.38575543642602 0.83341101142885 0.77059075158634 15.999 > 9 16 O 0.88575543642602 0.83341101142885 0.77059075158634 15.999 > 9 17 O 0.38575543642602 0.16658898857115 0.02059075158634 15.999 > 17 18 O 0.88575543642602 0.16658898857115 0.02059075158634 15.999 > 17 19 O 0.38575543642602 0.66658898857115 0.02059075158634 15.999 > 17 20 O 0.88575543642602 0.66658898857115 0.02059075158634 15.999 > 17 21 O 0.38575543642602 0.16658898857115 0.52059075158634 15.999 > 17 22 O 0.88575543642602 0.16658898857115 0.52059075158634 15.999 > 17 23 O 0.38575543642602 0.66658898857115 0.52059075158634 15.999 > 17 24 O 0.88575543642602 0.66658898857115 0.52059075158634 15.999 > 17 25 O 0.11424456357398 0.16658898857115 0.22940924841366 15.999 > 25 26 O 0.61424456357398 0.16658898857115 0.22940924841366 15.999 > 25 27 O 0.11424456357398 0.66658898857115 0.22940924841366 15.999 > 25 28 O 0.61424456357398 0.66658898857115 0.22940924841366 15.999 > 25 29 O 0.11424456357398 0.16658898857115 0.72940924841366 15.999 > 25 30 O 0.61424456357398 0.16658898857115 0.72940924841366 15.999 > 25 31 O 0.11424456357398 0.66658898857115 0.72940924841366 15.999 > 25 32 O 0.61424456357398 0.66658898857115 0.72940924841366 15.999 > 25 33 O 0.09830858432127 0.45160173020680 0.24961637569839 15.999 > 33 34 O 0.59830858432127 0.45160173020680 0.24961637569839 15.999 > 33 35 O 0.09830858432127 0.95160173020680 0.24961637569839 15.999 > 33 36 O 0.59830858432127 0.95160173020680 0.24961637569839 15.999 > 33 37 O 0.09830858432127 0.45160173020680 0.74961637569839 15.999 > 33 38 O 0.59830858432127 0.45160173020680 0.74961637569839 15.999 > 33 39 O 0.09830858432127 0.95160173020680 0.74961637569839 15.999 > 33 40 O 0.59830858432127 0.95160173020680 0.74961637569839 15.999 > 33 41 O 0.40169141567873 0.45160173020680 0.00038362430161 15.999 > 41 42 O 0.90169141567873 0.45160173020680 0.00038362430161 15.999 > 41 43 O 0.40169141567873 0.95160173020680 0.00038362430161 15.999 > 41 44 O 0.90169141567873 0.95160173020680 0.00038362430161 15.999 > 41 45 O 0.40169141567873 0.45160173020680 0.50038362430161 15.999 > 41 46 O 0.90169141567873 0.45160173020680 0.50038362430161 15.999 > 41 47 O 0.40169141567873 0.95160173020680 0.50038362430161 15.999 > 41 48 O 0.90169141567873 0.95160173020680 0.50038362430161 15.999 > 41 49 O 0.09830858432127 0.04839826979320 0.49961637569839 15.999 > 49 50 O 0.59830858432127 0.04839826979320 0.49961637569839 15.999 > 49 51 O 0.09830858432127 0.54839826979320 0.49961637569839 15.999 > 49 52 O 0.59830858432127 0.54839826979320 0.49961637569839 15.999 > 49 53 O 0.09830858432127 0.04839826979320 0.99961637569839 15.999 > 49 54 O 0.59830858432127 0.04839826979320 0.99961637569839 15.999 > 49 55 O 0.09830858432127 0.54839826979320 0.99961637569839 15.999 > 49 56 O 0.59830858432127 0.54839826979320 0.99961637569839 15.999 > 49 57 O 0.40169141567873 0.04839826979320 0.25038362430161 15.999 > 57 58 O 0.90169141567873 0.04839826979320 0.25038362430161 15.999 > 57 59 O 0.40169141567873 0.54839826979320 0.25038362430161 15.999 > 57 60 O 0.90169141567873 0.54839826979320 0.25038362430161 15.999 > 57 61 O 0.40169141567873 0.04839826979320 0.75038362430161 15.999 > 57 62 O 0.90169141567873 0.04839826979320 0.75038362430161 15.999 > 57 63 O 0.40169141567873 0.54839826979320 0.75038362430161 15.999 > 57 64 O 0.90169141567873 0.54839826979320 0.75038362430161 15.999 > 57 65 Na 0.00000000000000 0.19272237679659 0.37500000000000 22.990 > 65 66 Na 0.50000000000000 0.19272237679659 0.37500000000000 22.990 > 65 67 Na 0.00000000000000 0.69272237679659 0.37500000000000 22.990 > 65 68 Na 0.50000000000000 0.69272237679659 0.37500000000000 22.990 > 65 69 Na 0.00000000000000 0.19272237679659 0.87500000000000 22.990 > 65 70 Na 0.50000000000000 0.19272237679659 0.87500000000000 22.990 > 65 71 Na 0.00000000000000 0.69272237679659 0.87500000000000 22.990 > 65 72 Na 0.50000000000000 0.69272237679659 0.87500000000000 22.990 > 65 73 Na 0.25000000000000 0.19818508169599 0.12500000000000 22.990 > 73 74 Na 0.75000000000000 0.19818508169599 0.12500000000000 22.990 > 73 75 Na 0.25000000000000 0.69818508169599 0.12500000000000 22.990 > 73 76 Na 0.75000000000000 0.69818508169599 0.12500000000000 22.990 > 73 77 Na 0.25000000000000 0.19818508169599 0.62500000000000 22.990 > 73 78 Na 0.75000000000000 0.19818508169599 0.62500000000000 22.990 > 73 79 Na 0.25000000000000 0.69818508169599 0.62500000000000 22.990 > 73 80 Na 0.75000000000000 0.69818508169599 0.62500000000000 22.990 > 73 81 Na 0.25000000000000 0.06252154395686 0.37500000000000 22.990 > 81 82 Na 0.75000000000000 0.06252154395686 0.37500000000000 22.990 > 81 83 Na 0.25000000000000 0.56252154395686 0.37500000000000 22.990 > 81 84 Na 0.75000000000000 0.56252154395686 0.37500000000000 22.990 > 81 85 Na 0.25000000000000 0.06252154395686 0.87500000000000 22.990 > 81 86 Na 0.75000000000000 0.06252154395686 0.87500000000000 22.990 > 81 87 Na 0.25000000000000 0.56252154395686 0.87500000000000 22.990 > 81 88 Na 0.75000000000000 0.56252154395686 0.87500000000000 22.990 > 81 89 Na 0.25000000000000 0.43747845604314 0.12500000000000 22.990 > 89 90 Na 0.75000000000000 0.43747845604314 0.12500000000000 22.990 > 89 91 Na 0.25000000000000 0.93747845604314 0.12500000000000 22.990 > 89 92 Na 0.75000000000000 0.93747845604314 0.12500000000000 22.990 > 89 93 Na 0.25000000000000 0.43747845604314 0.62500000000000 22.990 > 89 94 Na 0.75000000000000 0.43747845604314 0.62500000000000 22.990 > 89 95 Na 0.25000000000000 0.93747845604314 0.62500000000000 22.990 > 89 96 Na 0.75000000000000 0.93747845604314 0.62500000000000 22.990 > 89 97 Na 0.00000000000000 0.30727762320341 0.12500000000000 22.990 > 97 98 Na 0.50000000000000 0.30727762320341 0.12500000000000 22.990 > 97 99 Na 0.00000000000000 0.80727762320341 0.12500000000000 22.990 > 97 100 Na 0.50000000000000 0.80727762320341 0.12500000000000 22.990 > 97 101 Na 0.00000000000000 0.30727762320341 0.62500000000000 22.990 > 97 102 Na 0.50000000000000 0.30727762320341 0.62500000000000 22.990 > 97 103 Na 0.00000000000000 0.80727762320341 0.62500000000000 22.990 > 97 104 Na 0.50000000000000 0.80727762320341 0.62500000000000 22.990 > 97 105 Na 0.25000000000000 0.30181491830401 0.37500000000000 22.990 > 105 106 Na 0.75000000000000 0.30181491830401 0.37500000000000 22.990 > 105 107 Na 0.25000000000000 0.80181491830401 0.37500000000000 22.990 > 105 108 Na 0.75000000000000 0.80181491830401 0.37500000000000 22.990 > 105 109 Na 0.25000000000000 0.30181491830401 0.87500000000000 22.990 > 105 110 Na 0.75000000000000 0.30181491830401 0.87500000000000 22.990 > 105 111 Na 0.25000000000000 0.80181491830401 0.87500000000000 22.990 > 105 112 Na 0.75000000000000 0.80181491830401 0.87500000000000 22.990 > 105 113 Sb 0.00000000000000 0.43458123519592 0.37500000000000 121.760 > 113 114 Sb 0.50000000000000 0.43458123519592 0.37500000000000 121.760 > 113 115 Sb 0.00000000000000 0.93458123519592 0.37500000000000 121.760 > 113 116 Sb 0.50000000000000 0.93458123519592 0.37500000000000 121.760 > 113 117 Sb 0.00000000000000 0.43458123519592 0.87500000000000 121.760 > 113 118 Sb 0.50000000000000 0.43458123519592 0.87500000000000 121.760 > 113 119 Sb 0.00000000000000 0.93458123519592 0.87500000000000 121.760 > 113 120 Sb 0.50000000000000 0.93458123519592 0.87500000000000 121.760 > 113 121 Sb 0.00000000000000 0.06541876480408 0.12500000000000 121.760 > 121 122 Sb 0.50000000000000 0.06541876480408 0.12500000000000 121.760 > 121 123 Sb 0.00000000000000 0.56541876480408 0.12500000000000 121.760 > 121 124 Sb 0.50000000000000 0.56541876480408 0.12500000000000 121.760 > 121 125 Sb 0.00000000000000 0.06541876480408 0.62500000000000 121.760 > 121 126 Sb 0.50000000000000 0.06541876480408 0.62500000000000 121.760 > 121 127 Sb 0.00000000000000 0.56541876480408 0.62500000000000 121.760 > 121 128 Sb 0.50000000000000 0.56541876480408 0.62500000000000 121.760 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0324959 0.0000000 -0.1060585 0.0000000 3.2537623 0.0000000 -0.1060584 0.0000000 3.5155542 -------------------------- Born effective charges -------------------------- 1 O -1.5603841 0.3323298 -0.2245295 0.2895608 -1.9218959 0.3499047 -0.1396680 0.2386838 -1.7133879 2 O -1.5603841 -0.3323298 -0.2245295 -0.2895608 -1.9218959 -0.3499047 -0.1396680 -0.2386838 -1.7133879 3 O -1.5603841 0.3323298 -0.2245295 0.2895608 -1.9218959 0.3499047 -0.1396680 0.2386838 -1.7133879 4 O -1.5603841 -0.3323298 -0.2245295 -0.2895608 -1.9218959 -0.3499047 -0.1396680 -0.2386838 -1.7133879 5 O -1.6707494 -0.0297836 0.4061252 -0.0264835 -1.6126838 0.4557943 0.3569322 0.5335726 -2.2131063 6 O -1.6707494 0.0297836 0.4061252 0.0264835 -1.6126838 -0.4557943 0.3569322 -0.5335726 -2.2131063 7 O -1.6707494 0.0297836 0.4061252 0.0264835 -1.6126838 -0.4557943 0.3569322 -0.5335726 -2.2131063 8 O -1.6707494 -0.0297836 0.4061252 -0.0264835 -1.6126838 0.4557943 0.3569322 0.5335726 -2.2131063 9 Na 0.7443009 0.0000000 -0.1222959 0.0000000 1.2197005 0.0000000 -0.1607346 0.0000000 0.9713890 10 Na 1.2241463 0.0000000 0.1424874 0.0000000 1.2747668 0.0000000 0.2093705 0.0000000 1.0185505 11 Na 1.3187058 0.0000000 0.0809924 0.0000000 0.7515760 0.0000000 0.0505377 0.0000000 1.0332534 12 Na 1.3187058 0.0000000 0.0809924 0.0000000 0.7515760 0.0000000 0.0505377 0.0000000 1.0332534 13 Na 0.7443009 0.0000000 -0.1222959 0.0000000 1.2197005 0.0000000 -0.1607346 0.0000000 0.9713890 14 Na 1.2241463 0.0000000 0.1424874 0.0000000 1.2747668 0.0000000 0.2093705 0.0000000 1.0185505 15 Sb 3.1751139 0.0000000 -0.4643753 0.0000000 3.8231162 0.0000000 -0.5337021 0.0000000 4.8297955 16 Sb 3.1751139 0.0000000 -0.4643753 0.0000000 3.8231162 0.0000000 -0.5337021 0.0000000 4.8297955 ---------------------------------------------------------------------------- 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[ 33, 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[ 65, 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[ 81, 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[ 113, 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: -0.00000009 (xyx) -0.00000009 (xyx) -0.00000009 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (xz) -0.00000002 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:22:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:22:16]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.808421310013451 0.000000000000000 0.000000000000000 b 0.000000000000000 6.601823670000000 0.000000000000000 c -1.819226887063977 0.000000000000000 5.137924924948772 Atomic positions (fractional): 1 O 0.22848912714796 0.66682202285771 0.95881849682732 15.999 2 O 0.77151087285204 0.66682202285771 0.54118150317268 15.999 3 O 0.77151087285204 0.33317797714229 0.04118150317268 15.999 4 O 0.22848912714796 0.33317797714229 0.45881849682732 15.999 5 O 0.19661716864254 0.90320346041360 0.49923275139679 15.999 6 O 0.80338283135746 0.90320346041360 0.00076724860321 15.999 7 O 0.19661716864254 0.09679653958640 0.99923275139679 15.999 8 O 0.80338283135746 0.09679653958640 0.50076724860321 15.999 9 Na 0.00000000000000 0.38544475359318 0.75000000000000 22.990 10 Na 0.50000000000000 0.39637016339198 0.25000000000000 22.990 11 Na 0.50000000000000 0.12504308791373 0.75000000000000 22.990 12 Na 0.50000000000000 0.87495691208627 0.25000000000000 22.990 13 Na 0.00000000000000 0.61455524640682 0.25000000000000 22.990 14 Na 0.50000000000000 0.60362983660802 0.75000000000000 22.990 15 Sb 0.00000000000000 0.86916247039183 0.75000000000000 121.760 16 Sb 0.00000000000000 0.13083752960817 0.25000000000000 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.616842620026903 0.000000000000000 0.000000000000000 b 0.000000000000000 13.203647340000000 0.000000000000000 c -3.638453774127954 0.000000000000000 10.275849849897543 Atomic positions (fractional): 1 O 0.11424456357398 0.33341101142885 0.47940924841366 15.999 > 1 2 O 0.61424456357398 0.33341101142885 0.47940924841366 15.999 > 1 3 O 0.11424456357398 0.83341101142885 0.47940924841366 15.999 > 1 4 O 0.61424456357398 0.83341101142885 0.47940924841366 15.999 > 1 5 O 0.11424456357398 0.33341101142885 0.97940924841366 15.999 > 1 6 O 0.61424456357398 0.33341101142885 0.97940924841366 15.999 > 1 7 O 0.11424456357398 0.83341101142885 0.97940924841366 15.999 > 1 8 O 0.61424456357398 0.83341101142885 0.97940924841366 15.999 > 1 9 O 0.38575543642602 0.33341101142885 0.27059075158634 15.999 > 9 10 O 0.88575543642602 0.33341101142885 0.27059075158634 15.999 > 9 11 O 0.38575543642602 0.83341101142885 0.27059075158634 15.999 > 9 12 O 0.88575543642602 0.83341101142885 0.27059075158634 15.999 > 9 13 O 0.38575543642602 0.33341101142885 0.77059075158634 15.999 > 9 14 O 0.88575543642602 0.33341101142885 0.77059075158634 15.999 > 9 15 O 0.38575543642602 0.83341101142885 0.77059075158634 15.999 > 9 16 O 0.88575543642602 0.83341101142885 0.77059075158634 15.999 > 9 17 O 0.38575543642602 0.16658898857115 0.02059075158634 15.999 > 17 18 O 0.88575543642602 0.16658898857115 0.02059075158634 15.999 > 17 19 O 0.38575543642602 0.66658898857115 0.02059075158634 15.999 > 17 20 O 0.88575543642602 0.66658898857115 0.02059075158634 15.999 > 17 21 O 0.38575543642602 0.16658898857115 0.52059075158634 15.999 > 17 22 O 0.88575543642602 0.16658898857115 0.52059075158634 15.999 > 17 23 O 0.38575543642602 0.66658898857115 0.52059075158634 15.999 > 17 24 O 0.88575543642602 0.66658898857115 0.52059075158634 15.999 > 17 25 O 0.11424456357398 0.16658898857115 0.22940924841366 15.999 > 25 26 O 0.61424456357398 0.16658898857115 0.22940924841366 15.999 > 25 27 O 0.11424456357398 0.66658898857115 0.22940924841366 15.999 > 25 28 O 0.61424456357398 0.66658898857115 0.22940924841366 15.999 > 25 29 O 0.11424456357398 0.16658898857115 0.72940924841366 15.999 > 25 30 O 0.61424456357398 0.16658898857115 0.72940924841366 15.999 > 25 31 O 0.11424456357398 0.66658898857115 0.72940924841366 15.999 > 25 32 O 0.61424456357398 0.66658898857115 0.72940924841366 15.999 > 25 33 O 0.09830858432127 0.45160173020680 0.24961637569839 15.999 > 33 34 O 0.59830858432127 0.45160173020680 0.24961637569839 15.999 > 33 35 O 0.09830858432127 0.95160173020680 0.24961637569839 15.999 > 33 36 O 0.59830858432127 0.95160173020680 0.24961637569839 15.999 > 33 37 O 0.09830858432127 0.45160173020680 0.74961637569839 15.999 > 33 38 O 0.59830858432127 0.45160173020680 0.74961637569839 15.999 > 33 39 O 0.09830858432127 0.95160173020680 0.74961637569839 15.999 > 33 40 O 0.59830858432127 0.95160173020680 0.74961637569839 15.999 > 33 41 O 0.40169141567873 0.45160173020680 0.00038362430161 15.999 > 41 42 O 0.90169141567873 0.45160173020680 0.00038362430161 15.999 > 41 43 O 0.40169141567873 0.95160173020680 0.00038362430161 15.999 > 41 44 O 0.90169141567873 0.95160173020680 0.00038362430161 15.999 > 41 45 O 0.40169141567873 0.45160173020680 0.50038362430161 15.999 > 41 46 O 0.90169141567873 0.45160173020680 0.50038362430161 15.999 > 41 47 O 0.40169141567873 0.95160173020680 0.50038362430161 15.999 > 41 48 O 0.90169141567873 0.95160173020680 0.50038362430161 15.999 > 41 49 O 0.09830858432127 0.04839826979320 0.49961637569839 15.999 > 49 50 O 0.59830858432127 0.04839826979320 0.49961637569839 15.999 > 49 51 O 0.09830858432127 0.54839826979320 0.49961637569839 15.999 > 49 52 O 0.59830858432127 0.54839826979320 0.49961637569839 15.999 > 49 53 O 0.09830858432127 0.04839826979320 0.99961637569839 15.999 > 49 54 O 0.59830858432127 0.04839826979320 0.99961637569839 15.999 > 49 55 O 0.09830858432127 0.54839826979320 0.99961637569839 15.999 > 49 56 O 0.59830858432127 0.54839826979320 0.99961637569839 15.999 > 49 57 O 0.40169141567873 0.04839826979320 0.25038362430161 15.999 > 57 58 O 0.90169141567873 0.04839826979320 0.25038362430161 15.999 > 57 59 O 0.40169141567873 0.54839826979320 0.25038362430161 15.999 > 57 60 O 0.90169141567873 0.54839826979320 0.25038362430161 15.999 > 57 61 O 0.40169141567873 0.04839826979320 0.75038362430161 15.999 > 57 62 O 0.90169141567873 0.04839826979320 0.75038362430161 15.999 > 57 63 O 0.40169141567873 0.54839826979320 0.75038362430161 15.999 > 57 64 O 0.90169141567873 0.54839826979320 0.75038362430161 15.999 > 57 65 Na 0.00000000000000 0.19272237679659 0.37500000000000 22.990 > 65 66 Na 0.50000000000000 0.19272237679659 0.37500000000000 22.990 > 65 67 Na 0.00000000000000 0.69272237679659 0.37500000000000 22.990 > 65 68 Na 0.50000000000000 0.69272237679659 0.37500000000000 22.990 > 65 69 Na 0.00000000000000 0.19272237679659 0.87500000000000 22.990 > 65 70 Na 0.50000000000000 0.19272237679659 0.87500000000000 22.990 > 65 71 Na 0.00000000000000 0.69272237679659 0.87500000000000 22.990 > 65 72 Na 0.50000000000000 0.69272237679659 0.87500000000000 22.990 > 65 73 Na 0.25000000000000 0.19818508169599 0.12500000000000 22.990 > 73 74 Na 0.75000000000000 0.19818508169599 0.12500000000000 22.990 > 73 75 Na 0.25000000000000 0.69818508169599 0.12500000000000 22.990 > 73 76 Na 0.75000000000000 0.69818508169599 0.12500000000000 22.990 > 73 77 Na 0.25000000000000 0.19818508169599 0.62500000000000 22.990 > 73 78 Na 0.75000000000000 0.19818508169599 0.62500000000000 22.990 > 73 79 Na 0.25000000000000 0.69818508169599 0.62500000000000 22.990 > 73 80 Na 0.75000000000000 0.69818508169599 0.62500000000000 22.990 > 73 81 Na 0.25000000000000 0.06252154395686 0.37500000000000 22.990 > 81 82 Na 0.75000000000000 0.06252154395686 0.37500000000000 22.990 > 81 83 Na 0.25000000000000 0.56252154395686 0.37500000000000 22.990 > 81 84 Na 0.75000000000000 0.56252154395686 0.37500000000000 22.990 > 81 85 Na 0.25000000000000 0.06252154395686 0.87500000000000 22.990 > 81 86 Na 0.75000000000000 0.06252154395686 0.87500000000000 22.990 > 81 87 Na 0.25000000000000 0.56252154395686 0.87500000000000 22.990 > 81 88 Na 0.75000000000000 0.56252154395686 0.87500000000000 22.990 > 81 89 Na 0.25000000000000 0.43747845604314 0.12500000000000 22.990 > 89 90 Na 0.75000000000000 0.43747845604314 0.12500000000000 22.990 > 89 91 Na 0.25000000000000 0.93747845604314 0.12500000000000 22.990 > 89 92 Na 0.75000000000000 0.93747845604314 0.12500000000000 22.990 > 89 93 Na 0.25000000000000 0.43747845604314 0.62500000000000 22.990 > 89 94 Na 0.75000000000000 0.43747845604314 0.62500000000000 22.990 > 89 95 Na 0.25000000000000 0.93747845604314 0.62500000000000 22.990 > 89 96 Na 0.75000000000000 0.93747845604314 0.62500000000000 22.990 > 89 97 Na 0.00000000000000 0.30727762320341 0.12500000000000 22.990 > 97 98 Na 0.50000000000000 0.30727762320341 0.12500000000000 22.990 > 97 99 Na 0.00000000000000 0.80727762320341 0.12500000000000 22.990 > 97 100 Na 0.50000000000000 0.80727762320341 0.12500000000000 22.990 > 97 101 Na 0.00000000000000 0.30727762320341 0.62500000000000 22.990 > 97 102 Na 0.50000000000000 0.30727762320341 0.62500000000000 22.990 > 97 103 Na 0.00000000000000 0.80727762320341 0.62500000000000 22.990 > 97 104 Na 0.50000000000000 0.80727762320341 0.62500000000000 22.990 > 97 105 Na 0.25000000000000 0.30181491830401 0.37500000000000 22.990 > 105 106 Na 0.75000000000000 0.30181491830401 0.37500000000000 22.990 > 105 107 Na 0.25000000000000 0.80181491830401 0.37500000000000 22.990 > 105 108 Na 0.75000000000000 0.80181491830401 0.37500000000000 22.990 > 105 109 Na 0.25000000000000 0.30181491830401 0.87500000000000 22.990 > 105 110 Na 0.75000000000000 0.30181491830401 0.87500000000000 22.990 > 105 111 Na 0.25000000000000 0.80181491830401 0.87500000000000 22.990 > 105 112 Na 0.75000000000000 0.80181491830401 0.87500000000000 22.990 > 105 113 Sb 0.00000000000000 0.43458123519592 0.37500000000000 121.760 > 113 114 Sb 0.50000000000000 0.43458123519592 0.37500000000000 121.760 > 113 115 Sb 0.00000000000000 0.93458123519592 0.37500000000000 121.760 > 113 116 Sb 0.50000000000000 0.93458123519592 0.37500000000000 121.760 > 113 117 Sb 0.00000000000000 0.43458123519592 0.87500000000000 121.760 > 113 118 Sb 0.50000000000000 0.43458123519592 0.87500000000000 121.760 > 113 119 Sb 0.00000000000000 0.93458123519592 0.87500000000000 121.760 > 113 120 Sb 0.50000000000000 0.93458123519592 0.87500000000000 121.760 > 113 121 Sb 0.00000000000000 0.06541876480408 0.12500000000000 121.760 > 121 122 Sb 0.50000000000000 0.06541876480408 0.12500000000000 121.760 > 121 123 Sb 0.00000000000000 0.56541876480408 0.12500000000000 121.760 > 121 124 Sb 0.50000000000000 0.56541876480408 0.12500000000000 121.760 > 121 125 Sb 0.00000000000000 0.06541876480408 0.62500000000000 121.760 > 121 126 Sb 0.50000000000000 0.06541876480408 0.62500000000000 121.760 > 121 127 Sb 0.00000000000000 0.56541876480408 0.62500000000000 121.760 > 121 128 Sb 0.50000000000000 0.56541876480408 0.62500000000000 121.760 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0324959 0.0000000 -0.1060585 0.0000000 3.2537623 0.0000000 -0.1060584 0.0000000 3.5155542 -------------------------- Born effective charges -------------------------- 1 O -1.5603841 0.3323298 -0.2245295 0.2895608 -1.9218959 0.3499047 -0.1396680 0.2386838 -1.7133879 2 O -1.5603841 -0.3323298 -0.2245295 -0.2895608 -1.9218959 -0.3499047 -0.1396680 -0.2386838 -1.7133879 3 O -1.5603841 0.3323298 -0.2245295 0.2895608 -1.9218959 0.3499047 -0.1396680 0.2386838 -1.7133879 4 O -1.5603841 -0.3323298 -0.2245295 -0.2895608 -1.9218959 -0.3499047 -0.1396680 -0.2386838 -1.7133879 5 O -1.6707494 -0.0297836 0.4061252 -0.0264835 -1.6126838 0.4557943 0.3569322 0.5335726 -2.2131063 6 O -1.6707494 0.0297836 0.4061252 0.0264835 -1.6126838 -0.4557943 0.3569322 -0.5335726 -2.2131063 7 O -1.6707494 0.0297836 0.4061252 0.0264835 -1.6126838 -0.4557943 0.3569322 -0.5335726 -2.2131063 8 O -1.6707494 -0.0297836 0.4061252 -0.0264835 -1.6126838 0.4557943 0.3569322 0.5335726 -2.2131063 9 Na 0.7443009 0.0000000 -0.1222959 0.0000000 1.2197005 0.0000000 -0.1607346 0.0000000 0.9713890 10 Na 1.2241463 0.0000000 0.1424874 0.0000000 1.2747668 0.0000000 0.2093705 0.0000000 1.0185505 11 Na 1.3187058 0.0000000 0.0809924 0.0000000 0.7515760 0.0000000 0.0505377 0.0000000 1.0332534 12 Na 1.3187058 0.0000000 0.0809924 0.0000000 0.7515760 0.0000000 0.0505377 0.0000000 1.0332534 13 Na 0.7443009 0.0000000 -0.1222959 0.0000000 1.2197005 0.0000000 -0.1607346 0.0000000 0.9713890 14 Na 1.2241463 0.0000000 0.1424874 0.0000000 1.2747668 0.0000000 0.2093705 0.0000000 1.0185505 15 Sb 3.1751139 0.0000000 -0.4643753 0.0000000 3.8231162 0.0000000 -0.5337021 0.0000000 4.8297955 16 Sb 3.1751139 0.0000000 -0.4643753 0.0000000 3.8231162 0.0000000 -0.5337021 0.0000000 4.8297955 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000009 (xyx) -0.00000009 (xyx) -0.00000009 (xxy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 8 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.71, Number of G-points: 299, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/230) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.383 ( 0.000 0.000 0.000) 0.000 3.220 ( 0.000 0.000 0.000) 0.000 3.350 ( 0.000 0.000 0.000) 0.000 3.704 ( 0.000 0.000 0.000) 0.000 3.763 ( 0.000 0.000 0.000) 0.000 4.182 ( 0.000 0.000 0.000) 0.000 4.856 ( 0.000 0.000 0.000) 0.000 5.414 ( 0.000 0.000 0.000) 0.000 5.529 ( 0.000 0.000 0.000) 0.000 5.790 ( 0.000 0.000 0.000) 0.000 6.247 ( 0.000 0.000 0.000) 0.000 6.312 ( 0.000 0.000 0.000) 0.000 6.497 ( 0.000 0.000 0.000) 0.000 6.614 ( 0.000 0.000 0.000) 0.000 6.873 ( 0.000 0.000 0.000) 0.000 7.055 ( 0.000 0.000 0.000) 0.000 7.841 ( 0.000 0.000 0.000) 0.000 8.001 ( 0.000 0.000 0.000) 0.000 8.136 ( 0.000 0.000 0.000) 0.000 8.241 ( 0.000 0.000 0.000) 0.000 8.384 ( 0.000 0.000 0.000) 0.000 8.835 ( 0.000 0.000 0.000) 0.000 8.895 ( 0.000 0.000 0.000) 0.000 9.101 ( 0.000 0.000 0.000) 0.000 9.238 ( 0.000 0.000 0.000) 0.000 10.303 ( 0.000 0.000 0.000) 0.000 10.628 ( 0.000 0.000 0.000) 0.000 10.670 ( 0.000 0.000 0.000) 0.000 10.896 ( 0.000 0.000 0.000) 0.000 11.336 ( 0.000 0.000 0.000) 0.000 11.536 ( 0.000 0.000 0.000) 0.000 11.991 ( 0.000 0.000 0.000) 0.000 12.385 ( 0.000 0.000 0.000) 0.000 13.284 ( 0.000 0.000 0.000) 0.000 13.810 ( 0.000 0.000 0.000) 0.000 13.841 ( 0.000 0.000 0.000) 0.000 14.016 ( 0.000 0.000 0.000) 0.000 14.416 ( 0.000 0.000 0.000) 0.000 15.710 ( 0.000 0.000 0.000) 0.000 16.200 ( 0.000 0.000 0.000) 0.000 16.415 ( 0.000 0.000 0.000) 0.000 17.635 ( 0.000 0.000 0.000) 0.000 17.640 ( 0.000 0.000 0.000) 0.000 18.621 ( 0.000 0.000 0.000) 0.000 19.468 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/230) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 27.345 0.000 0.201) 27.346 0.652 ( 29.281 0.000 10.773) 31.200 1.163 ( 50.317 0.000 25.749) 56.523 2.649 ( -8.572 0.000 26.727) 28.068 3.280 ( 0.387 0.000 -4.513) 4.530 3.294 ( 0.125 0.000 4.206) 4.208 3.735 ( -1.718 0.000 -2.842) 3.321 4.246 ( 3.824 0.000 6.554) 7.588 4.553 ( 3.723 0.000 -7.936) 8.766 4.827 ( -3.773 0.000 2.065) 4.301 5.333 ( -8.479 0.000 4.820) 9.753 5.571 ( 4.631 0.000 -6.025) 7.599 5.745 ( -4.908 0.000 -0.585) 4.942 6.244 ( -0.116 0.000 -4.057) 4.059 6.279 ( -0.877 0.000 -1.595) 1.820 6.311 ( -13.234 0.000 -3.563) 13.705 6.690 ( 7.562 0.000 -2.351) 7.919 6.946 ( -0.699 0.000 5.946) 5.987 7.066 ( -0.293 0.000 4.648) 4.657 7.793 ( -3.411 0.000 -3.251) 4.712 8.067 ( 3.664 0.000 4.436) 5.754 8.118 ( -0.894 0.000 0.615) 1.085 8.339 ( -0.315 0.000 15.369) 15.372 8.362 ( -3.902 0.000 9.267) 10.055 8.852 ( -2.857 0.000 8.464) 8.933 9.028 ( -3.264 0.000 -4.590) 5.632 9.144 ( 8.198 0.000 -9.917) 12.867 9.391 ( 13.571 0.000 -4.859) 14.414 10.363 ( 6.574 0.000 -33.349) 33.991 10.569 ( -4.510 0.000 -3.235) 5.551 10.665 ( 1.129 0.000 -4.707) 4.840 11.321 ( -1.839 0.000 0.602) 1.935 11.385 ( -26.018 0.000 26.360) 37.037 11.522 ( -1.948 0.000 1.418) 2.409 12.167 ( 6.464 0.000 16.349) 17.581 12.391 ( 0.485 0.000 0.701) 0.853 13.404 ( -0.905 0.000 9.043) 9.089 13.637 ( -8.204 0.000 -0.771) 8.240 13.993 ( -1.010 0.000 -3.341) 3.491 14.032 ( 10.033 0.000 -0.249) 10.036 15.297 ( 28.630 0.000 -64.679) 70.733 15.676 ( -2.709 0.000 -0.730) 2.806 16.198 ( -0.550 0.000 0.785) 0.958 16.438 ( 2.157 0.000 -0.307) 2.179 17.634 ( -1.268 0.000 3.267) 3.505 18.621 ( 0.563 0.000 -1.327) 1.441 19.425 ( -4.422 0.000 1.185) 4.578 19.740 ( -11.625 0.000 37.759) 39.508 ======================= Grid point 2 (3/230) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 25.366 0.000 1.292) 25.399 1.248 ( 25.078 0.000 10.617) 27.233 2.241 ( 44.246 0.000 22.206) 49.506 2.662 ( -3.427 0.000 10.202) 10.762 3.118 ( -9.677 0.000 -2.861) 10.091 3.463 ( 9.997 0.000 2.373) 10.275 3.676 ( -1.350 0.000 -4.279) 4.487 4.383 ( 3.961 0.000 8.275) 9.174 4.577 ( 2.343 0.000 -1.858) 2.990 4.743 ( -6.513 0.000 2.777) 7.080 5.187 ( -9.527 0.000 4.638) 10.596 5.593 ( 1.340 0.000 -5.872) 6.023 5.606 ( -7.796 0.000 -0.611) 7.820 6.037 ( -12.338 0.000 -1.206) 12.397 6.212 ( -2.380 0.000 1.329) 2.726 6.296 ( 3.489 0.000 -2.146) 4.096 6.837 ( 8.452 0.000 -1.793) 8.640 6.873 ( -6.867 0.000 -2.880) 7.446 7.123 ( 2.294 0.000 8.422) 8.729 7.675 ( -6.509 0.000 -2.475) 6.964 8.122 ( -0.110 0.000 1.491) 1.495 8.128 ( -0.504 0.000 3.005) 3.047 8.434 ( 3.889 0.000 11.862) 12.483 8.484 ( 3.105 0.000 13.170) 13.531 8.826 ( -3.666 0.000 7.895) 8.705 8.922 ( -4.990 0.000 -3.898) 6.332 9.243 ( 9.590 0.000 -14.518) 17.399 9.624 ( 15.560 0.000 -11.531) 19.367 10.243 ( -2.679 0.000 -10.587) 10.921 10.436 ( -6.734 0.000 -2.231) 7.094 10.653 ( 1.100 0.000 -4.857) 4.980 11.072 ( -17.103 0.000 5.483) 17.961 11.276 ( -3.054 0.000 0.607) 3.113 11.479 ( -3.587 0.000 1.664) 3.954 12.370 ( 4.614 0.000 11.029) 11.955 12.416 ( 1.423 0.000 1.496) 2.065 13.460 ( 1.317 0.000 5.259) 5.422 13.508 ( -4.898 0.000 -0.246) 4.905 13.944 ( -1.024 0.000 -4.483) 4.599 14.181 ( 5.631 0.000 -1.696) 5.880 15.443 ( 18.469 0.000 -26.553) 32.344 15.629 ( -0.977 0.000 -0.759) 1.237 16.185 ( -1.780 0.000 1.614) 2.403 16.475 ( 1.717 0.000 -0.704) 1.856 17.632 ( -1.927 0.000 5.229) 5.573 18.624 ( 0.864 0.000 -2.117) 2.286 19.335 ( -5.165 0.000 0.384) 5.179 19.774 ( -3.999 0.000 15.760) 16.259 ======================= Grid point 3 (4/230) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 21.132 0.000 2.052) 21.231 1.738 ( 18.525 0.000 9.474) 20.807 2.638 ( -3.373 0.000 2.117) 3.982 2.893 ( -11.338 0.000 -2.583) 11.629 3.094 ( 28.310 0.000 15.733) 32.388 3.654 ( 3.114 0.000 -4.053) 5.111 3.683 ( 10.990 0.000 1.762) 11.130 4.446 ( -3.621 0.000 4.365) 5.671 4.634 ( 5.390 0.000 -0.845) 5.455 4.641 ( -4.484 0.000 2.174) 4.983 5.054 ( -7.049 0.000 4.211) 8.211 5.498 ( -3.179 0.000 1.983) 3.747 5.518 ( -5.815 0.000 -4.809) 7.546 5.851 ( -7.641 0.000 3.688) 8.485 6.180 ( -2.109 0.000 2.316) 3.133 6.351 ( 3.335 0.000 -2.624) 4.243 6.707 ( -6.000 0.000 -5.866) 8.391 6.957 ( 4.313 0.000 0.046) 4.313 7.286 ( 7.372 0.000 8.931) 11.580 7.541 ( -4.742 0.000 -0.448) 4.763 8.108 ( -2.755 0.000 1.292) 3.043 8.120 ( -1.947 0.000 3.052) 3.620 8.483 ( -6.169 0.000 -1.232) 6.291 8.557 ( -1.342 0.000 2.957) 3.248 8.824 ( -0.031 0.000 -0.833) 0.834 8.953 ( 8.205 0.000 12.567) 15.008 9.298 ( 4.455 0.000 -7.493) 8.717 9.805 ( 11.887 0.000 -13.251) 17.801 10.135 ( -2.781 0.000 -6.425) 7.002 10.306 ( -6.314 0.000 1.763) 6.556 10.645 ( 0.742 0.000 -2.618) 2.721 10.823 ( -10.625 0.000 0.462) 10.635 11.225 ( -2.051 0.000 -0.061) 2.051 11.411 ( -4.454 0.000 1.495) 4.698 12.462 ( 1.970 0.000 1.681) 2.590 12.491 ( 2.069 0.000 6.310) 6.641 13.445 ( -1.867 0.000 0.384) 1.906 13.515 ( 1.343 0.000 3.013) 3.299 13.902 ( -0.464 0.000 -3.457) 3.488 14.219 ( 0.288 0.000 -2.460) 2.477 15.624 ( 14.016 0.000 -13.175) 19.236 15.639 ( 2.204 0.000 -0.371) 2.235 16.147 ( -3.621 0.000 2.373) 4.329 16.488 ( 0.185 0.000 -0.780) 0.802 17.631 ( -1.669 0.000 4.805) 5.086 18.625 ( 0.764 0.000 -1.947) 2.092 19.246 ( -3.871 0.000 -0.186) 3.875 19.798 ( -1.773 0.000 7.596) 7.801 ======================= Grid point 4 (5/230) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 10.548 0.000 1.355) 10.635 2.057 ( 8.393 0.000 4.998) 9.769 2.568 ( -3.109 0.000 -1.193) 3.330 2.685 ( -7.142 0.000 -1.406) 7.279 3.441 ( 3.839 0.000 3.450) 5.161 3.767 ( 6.556 0.000 0.129) 6.558 3.879 ( 7.164 0.000 0.689) 7.197 4.332 ( -6.543 0.000 0.728) 6.583 4.611 ( -0.717 0.000 0.847) 1.110 4.785 ( 8.702 0.000 -1.174) 8.781 4.992 ( -1.645 0.000 3.479) 3.849 5.334 ( -8.932 0.000 -1.400) 9.041 5.493 ( 0.106 0.000 1.692) 1.695 5.779 ( -2.374 0.000 1.896) 3.039 6.164 ( -0.768 0.000 1.035) 1.289 6.381 ( 1.188 0.000 -1.270) 1.739 6.598 ( -1.938 0.000 -2.945) 3.525 7.008 ( 1.162 0.000 0.353) 1.215 7.361 ( -1.699 0.000 0.631) 1.813 7.615 ( 7.108 0.000 4.735) 8.541 8.041 ( -3.254 0.000 -0.149) 3.257 8.097 ( -2.386 0.000 2.413) 3.393 8.376 ( -2.278 0.000 -1.747) 2.871 8.428 ( -5.579 0.000 -4.737) 7.319 8.900 ( 3.187 0.000 1.909) 3.714 9.153 ( 4.352 0.000 3.313) 5.470 9.341 ( 2.114 0.000 1.717) 2.723 9.895 ( 4.504 0.000 -6.254) 7.707 10.046 ( -1.998 0.000 -4.339) 4.777 10.229 ( -2.877 0.000 2.007) 3.508 10.645 ( 0.200 0.000 -0.299) 0.359 10.686 ( -3.489 0.000 -0.498) 3.525 11.204 ( -0.128 0.000 -0.399) 0.419 11.346 ( -2.567 0.000 0.852) 2.705 12.502 ( 0.970 0.000 0.750) 1.226 12.543 ( 0.508 0.000 2.058) 2.119 13.431 ( -0.237 0.000 0.343) 0.417 13.547 ( 0.507 0.000 0.966) 1.091 13.881 ( -0.083 0.000 -1.255) 1.258 14.191 ( -0.896 0.000 -1.240) 1.530 15.682 ( 1.628 0.000 -0.093) 1.631 15.774 ( 6.923 0.000 -4.957) 8.515 16.088 ( -3.309 0.000 1.889) 3.810 16.480 ( -0.298 0.000 -0.339) 0.451 17.632 ( -0.651 0.000 1.945) 2.051 18.626 ( 0.303 0.000 -0.791) 0.847 19.193 ( -1.426 0.000 -0.146) 1.433 19.809 ( -0.536 0.000 2.328) 2.389 ======================= Grid point 9 (6/230) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 0.000 24.049 0.000) 24.049 0.712 ( 0.000 37.011 0.000) 37.011 1.073 ( 0.000 55.328 0.000) 55.328 2.353 ( 0.000 -3.294 0.000) 3.294 3.198 ( 0.000 -1.856 0.000) 1.856 3.718 ( 0.000 1.294 0.000) 1.294 3.808 ( 0.000 4.520 0.000) 4.520 4.154 ( 0.000 -2.847 0.000) 2.847 4.276 ( 0.000 4.960 0.000) 4.960 4.673 ( 0.000 -16.851 0.000) 16.851 5.479 ( 0.000 6.321 0.000) 6.321 5.519 ( 0.000 -4.664 0.000) 4.664 5.790 ( 0.000 -0.518 0.000) 0.518 6.053 ( 0.000 -9.134 0.000) 9.134 6.386 ( 0.000 2.228 0.000) 2.228 6.453 ( 0.000 -4.467 0.000) 4.467 6.630 ( 0.000 -4.839 0.000) 4.839 6.988 ( 0.000 6.127 0.000) 6.127 7.148 ( 0.000 12.130 0.000) 12.130 7.876 ( 0.000 2.745 0.000) 2.745 8.021 ( 0.000 -10.199 0.000) 10.199 8.236 ( 0.000 0.836 0.000) 0.836 8.352 ( 0.000 -1.554 0.000) 1.554 8.435 ( 0.000 4.503 0.000) 4.503 8.858 ( 0.000 2.328 0.000) 2.328 8.906 ( 0.000 1.243 0.000) 1.243 9.105 ( 0.000 0.289 0.000) 0.289 9.221 ( 0.000 -1.816 0.000) 1.816 10.320 ( 0.000 1.818 0.000) 1.818 10.611 ( 0.000 -1.668 0.000) 1.668 10.696 ( 0.000 2.628 0.000) 2.628 10.888 ( 0.000 -0.858 0.000) 0.858 11.485 ( 0.000 -5.082 0.000) 5.082 11.992 ( 0.000 0.125 0.000) 0.125 12.187 ( 0.000 -0.861 0.000) 0.861 12.842 ( 0.000 -5.453 0.000) 5.453 13.321 ( 0.000 3.685 0.000) 3.685 13.837 ( 0.000 2.654 0.000) 2.654 14.015 ( 0.000 0.105 0.000) 0.105 14.079 ( 0.000 3.618 0.000) 3.618 14.402 ( 0.000 -1.417 0.000) 1.417 16.208 ( 0.000 0.806 0.000) 0.806 16.423 ( 0.000 0.905 0.000) 0.905 17.394 ( 0.000 0.100 0.000) 0.100 17.594 ( 0.000 -2.789 0.000) 2.789 17.657 ( 0.000 0.408 0.000) 0.408 19.485 ( 0.000 1.821 0.000) 1.821 19.825 ( 0.000 -1.003 0.000) 1.003 ======================= Grid point 10 (7/230) ======================= q-point: ( 0.11 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 13.063 27.691 17.363) 35.198 0.996 ( 25.482 23.518 6.973) 35.371 1.408 ( 35.583 30.401 9.702) 47.797 2.500 ( 4.010 -8.001 13.491) 16.190 3.257 ( 5.206 -2.962 1.747) 6.239 3.496 ( -11.939 11.245 -2.367) 16.570 3.805 ( -3.256 6.505 -0.847) 7.324 4.222 ( 3.772 -2.104 7.310) 8.491 4.390 ( 8.212 -7.650 -4.017) 11.920 4.642 ( -3.358 -16.351 0.555) 16.702 5.421 ( -6.366 6.961 5.479) 10.909 5.571 ( 5.439 -2.793 -5.899) 8.496 5.734 ( -5.526 -1.070 -0.321) 5.638 6.024 ( -3.982 -10.985 0.506) 11.695 6.270 ( -7.093 -0.618 -5.727) 9.137 6.423 ( -1.773 3.244 0.835) 3.790 6.673 ( 6.242 -3.510 -5.642) 9.117 7.037 ( 0.878 6.146 3.666) 7.210 7.130 ( -3.457 8.321 5.241) 10.423 7.817 ( -5.692 0.679 -3.897) 6.932 8.001 ( -0.017 -6.245 0.694) 6.284 8.140 ( -1.887 -0.082 -1.192) 2.233 8.375 ( -0.253 3.606 11.252) 11.819 8.418 ( -4.211 3.924 10.963) 12.382 8.832 ( -2.088 -1.063 4.058) 4.686 9.028 ( -1.680 -1.566 -3.907) 4.533 9.112 ( 12.231 0.595 -7.380) 14.297 9.394 ( 13.795 -0.068 -4.150) 14.406 10.311 ( 1.124 -1.571 -11.477) 11.638 10.553 ( -4.607 -1.758 -3.102) 5.826 10.689 ( 0.635 2.275 -3.616) 4.319 11.009 ( 1.633 -6.600 14.510) 16.024 11.455 ( -4.951 -4.987 4.781) 8.499 11.811 ( -17.487 9.129 -6.312) 20.712 12.155 ( 1.443 -0.932 2.401) 2.952 12.616 ( -8.221 12.262 4.701) 15.493 13.412 ( 3.672 0.817 3.173) 4.922 13.635 ( -12.875 1.677 2.425) 13.208 13.883 ( -1.744 -1.506 0.643) 2.392 14.159 ( 7.209 4.200 -0.220) 8.346 14.932 ( 33.348 -12.527 -19.433) 40.579 16.196 ( -3.068 2.941 -1.891) 4.652 16.278 ( -17.522 14.909 -9.014) 24.709 16.567 ( -5.144 18.840 -19.806) 27.815 17.616 ( -1.132 -1.862 3.443) 4.075 18.346 ( 14.642 -18.723 14.282) 27.729 19.458 ( -2.746 2.439 -1.806) 4.093 19.735 ( -9.573 -0.542 15.852) 18.527 ======================= Grid point 11 (8/230) ======================= q-point: ( 0.22 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 14.888 21.541 16.208) 30.796 1.466 ( 24.229 22.930 -1.479) 33.392 2.301 ( 40.248 6.798 19.228) 45.121 2.616 ( 1.441 -2.843 6.767) 7.480 3.261 ( -11.966 11.501 0.371) 16.601 3.409 ( 8.554 -4.813 1.017) 9.868 3.728 ( -1.558 4.627 -4.929) 6.938 4.354 ( 2.670 -3.811 8.482) 9.675 4.499 ( 5.027 -5.107 0.323) 7.173 4.567 ( -4.015 -14.132 0.803) 14.714 5.316 ( -8.291 10.030 4.940) 13.919 5.599 ( -5.535 -1.057 -0.925) 5.710 5.623 ( 1.840 1.488 -5.765) 6.232 5.897 ( -7.612 -13.016 -0.936) 15.107 6.125 ( -6.164 -0.632 0.657) 6.231 6.426 ( 1.471 5.756 -0.739) 5.986 6.736 ( 1.250 -6.372 -2.855) 7.094 7.010 ( -0.437 8.808 -2.091) 9.064 7.156 ( 0.774 3.441 9.040) 9.704 7.659 ( -7.655 -1.815 -3.063) 8.443 8.000 ( -2.195 -7.301 2.250) 7.949 8.140 ( 0.913 -2.672 0.050) 2.824 8.434 ( 0.492 -0.071 8.703) 8.717 8.538 ( 4.930 4.217 12.390) 13.985 8.814 ( -1.432 -0.051 5.320) 5.510 8.952 ( -4.233 1.500 -1.922) 4.885 9.263 ( 9.646 2.493 -11.297) 15.063 9.625 ( 14.938 0.019 -11.087) 18.603 10.218 ( -3.478 -1.605 -6.259) 7.339 10.416 ( -7.253 -2.069 -2.097) 7.829 10.677 ( 0.532 2.078 -3.002) 3.689 11.013 ( -8.760 -2.798 5.635) 10.785 11.353 ( -8.449 -0.833 5.935) 10.359 11.523 ( -6.078 7.584 -5.751) 11.293 12.232 ( 3.161 -6.675 3.225) 8.059 12.602 ( 0.496 9.910 5.366) 11.281 13.453 ( -3.220 -3.589 -2.960) 5.658 13.506 ( -1.103 3.885 7.497) 8.516 13.874 ( 0.995 -2.661 -1.482) 3.204 14.282 ( 5.131 6.053 -1.727) 8.121 15.324 ( 21.217 -5.825 -14.046) 26.103 15.890 ( -8.384 17.737 -9.910) 21.980 16.196 ( -1.957 1.077 1.676) 2.793 16.518 ( 1.146 4.762 -3.833) 6.220 17.620 ( -1.553 -1.252 5.294) 5.657 18.543 ( 3.945 -7.634 2.182) 8.865 19.369 ( -4.706 3.179 -1.215) 5.807 19.711 ( -3.789 -5.362 11.781) 13.487 ======================= Grid point 12 (9/230) ======================= q-point: ( 0.33 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 14.091 16.020 13.279) 25.130 1.886 ( 19.408 16.872 -0.889) 25.732 2.630 ( -0.673 0.352 -0.671) 1.013 3.029 ( -12.303 12.048 0.973) 17.248 3.098 ( 26.737 0.912 14.482) 30.421 3.573 ( 6.846 -6.203 0.467) 9.250 3.726 ( 5.833 1.967 -3.816) 7.242 4.368 ( -4.831 -8.564 3.668) 10.495 4.536 ( -0.072 -7.356 2.159) 7.667 4.618 ( 6.731 -0.238 1.090) 6.823 5.182 ( -8.450 10.173 4.172) 13.867 5.499 ( -4.711 0.840 0.604) 4.823 5.563 ( -4.476 3.655 -3.648) 6.833 5.806 ( -0.119 -8.729 -2.809) 9.170 6.020 ( -7.797 -5.468 7.388) 12.053 6.437 ( 0.445 1.363 -2.884) 3.221 6.683 ( -2.104 -0.762 -3.128) 3.846 7.052 ( 3.894 8.051 -1.499) 9.069 7.277 ( 4.644 -0.752 9.709) 10.788 7.504 ( -5.831 -3.766 -1.282) 7.059 7.956 ( -3.068 -8.529 2.074) 9.299 8.157 ( 0.403 -2.229 0.588) 2.340 8.418 ( -6.799 -4.238 -0.868) 8.059 8.647 ( 0.104 6.052 2.033) 6.385 8.857 ( -0.255 3.200 -0.649) 3.275 8.967 ( 8.022 1.501 11.534) 14.129 9.330 ( 4.082 3.291 -5.880) 7.878 9.795 ( 11.287 -1.031 -13.227) 17.419 10.119 ( -2.817 -1.320 -5.064) 5.943 10.272 ( -7.171 -3.100 1.843) 8.027 10.671 ( -0.083 1.928 -0.102) 1.933 10.827 ( -9.526 0.743 -1.474) 9.668 11.273 ( -3.847 0.731 5.239) 6.540 11.416 ( -3.400 3.635 -3.641) 6.167 12.304 ( 2.247 -8.510 2.639) 9.189 12.657 ( 1.332 8.493 3.826) 9.410 13.371 ( -2.920 -5.478 -0.707) 6.248 13.557 ( 1.096 4.112 3.629) 5.593 13.904 ( 2.816 1.006 -0.532) 3.037 14.308 ( -0.613 6.843 -3.180) 7.571 15.588 ( 14.273 -0.867 -7.648) 16.216 15.771 ( 0.240 10.200 -5.447) 11.566 16.156 ( -3.655 0.934 2.446) 4.496 16.508 ( -0.272 2.119 -1.954) 2.895 17.628 ( -1.208 -0.335 4.848) 5.008 18.593 ( 1.400 -3.154 -0.368) 3.470 19.280 ( -3.547 3.287 -0.823) 4.906 19.724 ( -1.579 -7.047 6.516) 9.727 ======================= Grid point 13 (10/230) ======================= q-point: ( 0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 8.465 13.425 10.328) 18.935 2.134 ( 6.254 9.908 -4.676) 12.615 2.611 ( 1.979 6.077 -2.890) 7.014 2.820 ( -9.353 12.463 1.510) 15.655 3.436 ( 4.075 -0.410 3.324) 5.275 3.715 ( 7.123 -4.773 0.653) 8.599 3.838 ( 3.378 -4.764 -0.109) 5.841 4.307 ( -1.841 -2.708 0.632) 3.335 4.542 ( -0.351 -6.066 0.643) 6.110 4.783 ( 8.794 0.090 0.251) 8.798 5.063 ( -5.978 6.268 2.529) 9.023 5.359 ( -6.716 3.152 -0.976) 7.483 5.526 ( -0.013 3.183 1.169) 3.390 5.806 ( 1.203 1.272 -2.673) 3.196 5.941 ( -4.155 -14.994 4.878) 16.305 6.418 ( -0.104 -2.753 -1.844) 3.315 6.651 ( -0.009 5.896 -1.363) 6.052 7.097 ( 1.292 8.226 -0.305) 8.332 7.328 ( -2.363 -3.341 1.221) 4.271 7.513 ( 3.231 -9.411 2.776) 10.330 7.971 ( 4.314 -4.362 4.679) 7.715 8.138 ( -5.232 1.334 -0.294) 5.407 8.237 ( -5.295 -7.974 -5.231) 10.908 8.591 ( -2.607 9.511 -1.821) 10.028 8.909 ( 2.596 1.240 1.052) 3.063 9.168 ( 4.657 1.508 3.512) 6.025 9.372 ( 1.816 3.170 1.809) 4.076 9.878 ( 4.443 -1.809 -6.526) 8.099 10.035 ( -2.172 -0.908 -3.730) 4.411 10.184 ( -3.154 -4.078 2.135) 5.580 10.662 ( -2.717 -0.834 3.542) 4.542 10.695 ( -0.898 3.238 -4.310) 5.466 11.270 ( 0.008 0.030 4.312) 4.312 11.331 ( -2.653 4.490 -3.652) 6.366 12.348 ( 0.854 -8.977 1.054) 9.079 12.694 ( 0.539 7.974 1.340) 8.104 13.332 ( -0.885 -6.806 -0.208) 6.866 13.588 ( 0.412 4.074 1.193) 4.265 13.962 ( 2.398 5.911 0.530) 6.401 14.248 ( -2.247 5.392 -2.114) 6.212 15.743 ( 2.947 5.347 0.381) 6.117 15.792 ( 5.243 2.658 -5.391) 7.976 16.097 ( -3.342 0.944 1.961) 3.989 16.488 ( -0.497 0.879 -0.695) 1.226 17.636 ( -0.434 0.416 1.967) 2.057 18.606 ( 0.363 -1.889 -0.350) 1.955 19.229 ( -1.280 3.487 -0.327) 3.729 19.735 ( -0.459 -7.451 2.089) 7.752 ======================= Grid point 18 (11/230) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 0.000 23.336 0.000) 23.336 1.387 ( 0.000 33.702 0.000) 33.702 2.065 ( 0.000 48.483 0.000) 48.483 2.250 ( 0.000 -7.789 0.000) 7.789 3.171 ( 0.000 -0.542 0.000) 0.542 3.743 ( 0.000 1.222 0.000) 1.222 3.922 ( 0.000 6.981 0.000) 6.981 4.077 ( 0.000 -5.696 0.000) 5.696 4.305 ( 0.000 -20.024 0.000) 20.024 4.390 ( 0.000 6.236 0.000) 6.236 5.313 ( 0.000 -14.835 0.000) 14.835 5.617 ( 0.000 6.981 0.000) 6.981 5.726 ( 0.000 -5.024 0.000) 5.024 6.016 ( 0.000 2.495 0.000) 2.495 6.340 ( 0.000 -6.985 0.000) 6.985 6.423 ( 0.000 2.227 0.000) 2.227 6.510 ( 0.000 -7.288 0.000) 7.288 7.064 ( 0.000 3.107 0.000) 3.107 7.439 ( 0.000 15.540 0.000) 15.540 7.819 ( 0.000 -9.445 0.000) 9.445 7.901 ( 0.000 -0.521 0.000) 0.521 8.271 ( 0.000 -6.924 0.000) 6.924 8.311 ( 0.000 6.874 0.000) 6.874 8.527 ( 0.000 4.737 0.000) 4.737 8.916 ( 0.000 3.565 0.000) 3.565 8.942 ( 0.000 2.531 0.000) 2.531 9.107 ( 0.000 -0.296 0.000) 0.296 9.170 ( 0.000 -3.515 0.000) 3.515 10.368 ( 0.000 3.086 0.000) 3.086 10.569 ( 0.000 -2.551 0.000) 2.551 10.761 ( 0.000 3.898 0.000) 3.898 10.866 ( 0.000 -1.325 0.000) 1.325 11.360 ( 0.000 -7.545 0.000) 7.545 11.997 ( 0.000 0.398 0.000) 0.398 12.164 ( 0.000 -1.504 0.000) 1.504 12.715 ( 0.000 -7.170 0.000) 7.170 13.407 ( 0.000 4.855 0.000) 4.855 13.902 ( 0.000 3.944 0.000) 3.944 14.020 ( 0.000 0.394 0.000) 0.394 14.158 ( 0.000 4.220 0.000) 4.220 14.367 ( 0.000 -2.125 0.000) 2.125 16.227 ( 0.000 1.087 0.000) 1.087 16.447 ( 0.000 1.456 0.000) 1.456 17.397 ( 0.000 0.134 0.000) 0.134 17.537 ( 0.000 -3.131 0.000) 3.131 17.656 ( 0.000 -0.428 0.000) 0.428 19.534 ( 0.000 3.195 0.000) 3.195 19.796 ( 0.000 -2.027 0.000) 2.027 ======================= Grid point 19 (12/230) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 27.976 16.488 18.319) 37.284 1.496 ( 6.620 29.806 11.144) 32.503 2.153 ( 11.066 39.754 -2.302) 41.330 2.369 ( 8.059 -6.048 7.479) 12.548 3.207 ( 3.420 -1.619 0.355) 3.800 3.640 ( -7.041 5.055 -3.486) 9.343 3.906 ( -2.537 2.274 1.217) 3.618 4.173 ( 0.087 -6.007 9.689) 11.400 4.302 ( 3.028 -8.278 3.105) 9.345 4.371 ( 2.115 -1.576 -9.137) 9.510 5.344 ( 2.676 -14.726 0.800) 14.988 5.600 ( -1.589 7.044 -0.842) 7.270 5.688 ( -4.014 -3.249 0.928) 5.246 5.955 ( -6.337 1.025 1.137) 6.519 6.253 ( -5.085 -1.238 -7.776) 9.374 6.426 ( 1.252 -2.042 3.892) 4.570 6.570 ( 5.238 -6.207 -4.821) 9.445 7.119 ( 1.643 3.500 6.675) 7.714 7.359 ( -8.191 13.090 2.146) 15.590 7.763 ( -4.438 -5.684 -3.952) 8.223 7.908 ( -0.908 -2.964 2.618) 4.057 8.110 ( -3.996 -3.202 -7.436) 9.029 8.446 ( 2.379 4.089 10.691) 11.691 8.485 ( -5.629 3.026 8.232) 10.422 8.835 ( -2.184 1.419 0.772) 2.717 8.982 ( -0.373 -2.700 -3.874) 4.737 9.161 ( 12.324 3.362 -6.049) 14.134 9.386 ( 14.624 -0.723 -2.872) 14.921 10.323 ( -4.279 2.191 -1.074) 4.926 10.510 ( -5.028 -2.640 -2.425) 6.175 10.736 ( -0.993 2.177 -1.526) 2.838 10.949 ( 3.100 -1.045 7.483) 8.167 11.330 ( -4.581 -7.560 4.429) 9.888 11.891 ( -9.883 1.785 -3.361) 10.590 12.134 ( -0.466 -1.326 -2.731) 3.072 12.687 ( -1.896 -2.523 2.444) 3.991 13.457 ( 3.758 3.852 -0.106) 5.382 13.718 ( -14.285 5.955 3.743) 15.922 13.905 ( -6.618 2.375 2.570) 7.486 14.202 ( 8.816 1.118 1.037) 8.946 14.795 ( 30.083 -4.060 -10.463) 32.108 16.223 ( -0.665 1.256 0.420) 1.482 16.389 ( -7.690 2.507 1.700) 8.265 16.916 ( -14.986 13.400 -23.440) 30.880 17.567 ( -0.597 -3.093 3.806) 4.941 18.072 ( 16.221 -10.202 15.502) 24.648 19.510 ( -1.890 3.048 -2.027) 4.119 19.719 ( -7.470 -1.228 3.220) 8.226 ======================= Grid point 20 (13/230) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 7.506 22.673 18.208) 30.032 1.941 ( 23.336 21.879 5.508) 32.459 2.465 ( 15.105 5.409 6.344) 17.253 2.635 ( 17.704 8.889 7.891) 21.324 3.298 ( 5.147 -4.715 1.769) 7.200 3.469 ( -9.129 8.011 -1.116) 12.197 3.815 ( -3.982 3.660 -5.323) 7.588 4.197 ( -0.936 -11.231 4.456) 12.119 4.359 ( 1.910 -5.944 -1.878) 6.520 4.479 ( 8.079 2.676 6.156) 10.504 5.409 ( 2.714 -12.260 1.272) 12.621 5.524 ( -5.001 4.129 -3.289) 7.272 5.622 ( -3.122 1.117 2.321) 4.048 5.798 ( -9.296 1.195 -1.282) 9.459 6.131 ( -4.186 0.222 -1.058) 4.324 6.470 ( 0.331 -1.395 -3.554) 3.833 6.612 ( 1.120 -5.910 2.128) 6.381 7.147 ( -1.538 5.228 1.262) 5.593 7.261 ( -2.841 7.372 7.184) 10.678 7.608 ( -8.513 -3.176 -3.016) 9.573 7.879 ( -3.928 -5.332 1.805) 6.864 8.049 ( 0.955 -6.270 -4.049) 7.525 8.420 ( -3.329 -1.514 2.071) 4.202 8.619 ( 6.106 4.344 10.837) 13.175 8.842 ( 1.549 2.840 4.614) 5.635 8.958 ( -1.060 -0.531 -0.814) 1.438 9.333 ( 9.782 4.326 -8.460) 13.637 9.621 ( 13.732 -0.420 -9.790) 16.870 10.207 ( -6.172 0.470 -1.380) 6.342 10.366 ( -8.050 -2.939 -1.360) 8.677 10.712 ( -1.370 1.273 1.015) 2.128 10.991 ( -3.712 0.341 2.399) 4.433 11.256 ( -6.585 -7.184 6.820) 11.895 11.671 ( -7.539 6.133 -4.310) 10.632 12.128 ( 1.162 -4.402 -1.424) 4.770 12.703 ( 0.928 0.235 3.608) 3.732 13.444 ( -4.804 3.779 -3.012) 6.814 13.605 ( -1.276 5.858 8.196) 10.154 13.866 ( 1.051 0.719 0.122) 1.280 14.363 ( 6.487 2.804 -0.141) 7.069 15.247 ( 24.092 -2.748 -9.913) 26.196 16.152 ( -9.512 8.670 -3.635) 13.373 16.226 ( -3.818 2.425 1.826) 4.878 16.654 ( -2.619 8.762 -11.379) 14.599 17.588 ( -0.474 -1.898 5.543) 5.878 18.378 ( 8.204 -8.711 7.615) 14.183 19.436 ( -3.606 3.582 -2.942) 5.873 19.616 ( -5.507 -4.043 4.996) 8.464 ======================= Grid point 21 (14/230) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 5.929 15.550 19.246) 25.443 2.312 ( 15.208 23.175 -5.359) 28.233 2.667 ( 7.370 3.415 -0.092) 8.124 3.131 ( 17.193 2.950 13.056) 21.789 3.285 ( -7.153 12.584 3.144) 14.812 3.430 ( 6.866 -8.347 0.232) 10.811 3.743 ( 1.264 0.066 -7.452) 7.559 4.194 ( -0.333 -7.147 1.164) 7.248 4.403 ( 1.192 -6.246 2.822) 6.957 4.661 ( 6.857 4.137 4.498) 9.185 5.360 ( -9.269 7.930 1.616) 12.305 5.469 ( 1.492 -11.650 -1.772) 11.878 5.599 ( 0.542 -0.692 -3.287) 3.402 5.637 ( -5.446 2.929 -0.363) 6.194 6.037 ( -9.071 3.463 7.273) 12.132 6.363 ( -4.485 -7.686 -5.395) 10.406 6.684 ( 3.354 -0.231 2.455) 4.163 7.175 ( 4.351 3.042 -1.993) 5.671 7.288 ( -1.347 2.660 9.430) 9.890 7.427 ( -7.873 -2.713 -1.771) 8.513 7.816 ( -2.046 -6.438 1.353) 6.889 8.059 ( 1.636 -7.067 -2.181) 7.575 8.338 ( -6.023 -4.030 -2.565) 7.687 8.748 ( 1.563 4.462 1.930) 5.106 8.926 ( 0.434 3.582 0.281) 3.619 9.009 ( 8.608 2.840 8.647) 12.527 9.414 ( 3.738 5.223 -4.175) 7.660 9.768 ( 9.633 -1.825 -12.522) 15.904 10.097 ( -3.829 -0.908 -2.288) 4.552 10.206 ( -8.304 -3.518 1.926) 9.221 10.688 ( -3.731 -0.305 4.685) 5.997 10.866 ( -5.574 3.340 -5.628) 8.597 11.192 ( -4.697 -6.968 6.696) 10.745 11.562 ( -2.341 8.746 -3.179) 9.596 12.152 ( 1.458 -7.520 0.420) 7.671 12.750 ( 1.300 0.571 2.781) 3.123 13.341 ( -3.803 3.652 -0.912) 5.351 13.653 ( 0.718 5.421 4.483) 7.071 13.934 ( 5.074 1.478 1.218) 5.423 14.420 ( 0.107 4.684 -2.198) 5.175 15.583 ( 17.168 0.089 -7.256) 18.638 15.984 ( -4.129 10.987 -3.235) 12.175 16.179 ( -3.751 1.378 2.650) 4.795 16.565 ( -1.752 3.683 -5.327) 6.709 17.622 ( 0.040 -0.252 5.036) 5.042 18.518 ( 3.370 -4.424 2.952) 6.296 19.354 ( -2.924 4.022 -1.876) 5.315 19.571 ( -2.649 -8.109 3.672) 9.287 ======================= Grid point 22 (15/230) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 3.761 9.648 14.354) 17.699 2.398 ( 0.590 12.659 -9.494) 15.835 2.849 ( 12.497 18.555 -4.558) 22.830 3.092 ( -10.647 14.381 6.541) 19.051 3.438 ( 3.871 1.036 2.158) 4.551 3.596 ( 8.754 -8.314 1.993) 12.236 3.720 ( -2.021 -5.441 -2.438) 6.296 4.235 ( 3.361 -4.594 -0.249) 5.698 4.419 ( -0.484 -6.198 1.026) 6.301 4.792 ( 3.846 0.609 1.968) 4.363 5.204 ( -5.909 8.904 0.345) 10.692 5.450 ( -2.504 4.404 0.877) 5.141 5.571 ( 1.616 -7.866 -4.667) 9.288 5.623 ( 0.648 -2.313 0.216) 2.411 5.907 ( -6.936 3.494 5.700) 9.633 6.301 ( -0.118 -8.527 -1.944) 8.747 6.740 ( 1.391 2.497 0.307) 2.875 7.221 ( 1.506 -3.067 -2.729) 4.373 7.296 ( -3.751 7.169 5.389) 9.722 7.334 ( -0.199 -7.372 -0.710) 7.408 7.879 ( 5.890 -5.792 6.148) 10.297 8.061 ( -0.716 -9.035 -3.964) 9.892 8.164 ( -7.562 0.094 -3.372) 8.280 8.743 ( -0.909 6.236 -0.542) 6.325 8.951 ( 1.396 2.946 -0.308) 3.274 9.208 ( 5.269 2.641 2.852) 6.547 9.453 ( 1.312 5.129 1.900) 5.625 9.830 ( 3.675 -3.132 -6.028) 7.723 10.019 ( -2.257 -0.736 -2.790) 3.663 10.100 ( -3.626 -4.278 2.182) 6.017 10.628 ( -3.763 -2.166 2.482) 5.001 10.780 ( -0.408 4.826 -3.236) 5.825 11.166 ( -1.530 -7.344 2.864) 8.030 11.515 ( -0.814 10.679 -1.526) 10.818 12.178 ( 0.661 -8.890 0.484) 8.928 12.781 ( 0.513 0.481 1.003) 1.225 13.290 ( -1.233 3.526 -0.266) 3.745 13.683 ( 0.293 5.373 1.483) 5.581 14.047 ( 4.312 2.595 1.636) 5.292 14.363 ( -2.855 5.999 -2.184) 6.993 15.802 ( 8.768 1.931 -3.073) 9.489 15.929 ( -1.165 9.600 -1.424) 9.775 16.122 ( -3.256 1.629 2.155) 4.231 16.510 ( -1.071 1.313 -1.819) 2.486 17.649 ( 0.140 1.008 2.042) 2.282 18.567 ( 0.833 -1.932 0.700) 2.217 19.307 ( -1.028 4.244 -0.632) 4.412 19.556 ( -0.775 -10.383 1.326) 10.496 ======================= Grid point 27 (16/230) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 0.000 20.674 0.000) 20.674 1.953 ( 0.000 24.104 0.000) 24.104 2.058 ( 0.000 -11.890 0.000) 11.890 2.854 ( 0.000 32.725 0.000) 32.725 3.182 ( 0.000 1.342 0.000) 1.342 3.760 ( 0.000 0.378 0.000) 0.378 3.854 ( 0.000 -16.257 0.000) 16.257 4.048 ( 0.000 5.697 0.000) 5.697 4.059 ( 0.000 -5.339 0.000) 5.339 4.474 ( 0.000 1.830 0.000) 1.830 5.051 ( 0.000 -11.008 0.000) 11.008 5.644 ( 0.000 -3.276 0.000) 3.276 5.708 ( 0.000 2.516 0.000) 2.516 6.059 ( 0.000 1.524 0.000) 1.524 6.209 ( 0.000 -6.154 0.000) 6.154 6.382 ( 0.000 -5.385 0.000) 5.385 6.469 ( 0.000 2.211 0.000) 2.211 7.114 ( 0.000 2.017 0.000) 2.017 7.684 ( 0.000 9.760 0.000) 9.760 7.716 ( 0.000 -0.898 0.000) 0.898 7.870 ( 0.000 -2.309 0.000) 2.309 8.107 ( 0.000 -9.585 0.000) 9.585 8.457 ( 0.000 7.339 0.000) 7.339 8.601 ( 0.000 2.745 0.000) 2.745 8.986 ( 0.000 3.633 0.000) 3.633 8.994 ( 0.000 2.519 0.000) 2.519 9.090 ( 0.000 -1.537 0.000) 1.537 9.096 ( 0.000 -3.869 0.000) 3.869 10.429 ( 0.000 3.108 0.000) 3.108 10.522 ( 0.000 -2.302 0.000) 2.302 10.829 ( 0.000 2.899 0.000) 2.899 10.843 ( 0.000 -0.975 0.000) 0.975 11.225 ( 0.000 -5.960 0.000) 5.960 12.007 ( 0.000 0.699 0.000) 0.699 12.134 ( 0.000 -1.491 0.000) 1.491 12.596 ( 0.000 -4.903 0.000) 4.903 13.487 ( 0.000 3.249 0.000) 3.249 13.972 ( 0.000 2.984 0.000) 2.984 14.028 ( 0.000 0.352 0.000) 0.352 14.225 ( 0.000 2.611 0.000) 2.611 14.329 ( 0.000 -1.661 0.000) 1.661 16.245 ( 0.000 0.735 0.000) 0.735 16.473 ( 0.000 1.184 0.000) 1.184 17.399 ( 0.000 0.089 0.000) 0.089 17.484 ( 0.000 -2.166 0.000) 2.166 17.646 ( 0.000 -0.516 0.000) 0.516 19.601 ( 0.000 3.723 0.000) 3.723 19.749 ( 0.000 -2.889 0.000) 2.889 ======================= Grid point 28 (17/230) ======================= q-point: ( 0.11 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 22.837 16.054 16.021) 32.186 2.010 ( 2.589 22.541 8.333) 24.171 2.189 ( 10.122 -10.327 7.537) 16.307 2.816 ( -2.473 24.494 0.004) 24.619 3.204 ( 1.948 0.737 -0.301) 2.105 3.706 ( -4.635 2.212 -4.268) 6.677 3.872 ( 1.487 -5.206 0.227) 5.419 3.961 ( 2.295 -8.058 -2.030) 8.620 4.298 ( 8.970 3.431 10.732) 14.402 4.402 ( -2.652 0.917 -8.166) 8.635 5.081 ( 2.016 -10.889 2.238) 11.298 5.636 ( -1.581 -1.960 2.492) 3.543 5.700 ( -1.028 3.069 -0.058) 3.237 5.962 ( -7.329 -0.976 0.350) 7.402 6.230 ( -2.244 -0.747 -8.467) 8.792 6.349 ( 4.085 -5.661 -2.187) 7.316 6.496 ( 0.649 -1.172 2.517) 2.852 7.178 ( 1.881 2.685 8.864) 9.451 7.563 ( -10.492 7.369 2.423) 13.049 7.699 ( -3.663 0.468 -2.131) 4.263 7.857 ( -2.218 -2.425 2.318) 4.022 8.007 ( -3.715 -7.251 -9.229) 12.311 8.521 ( -6.633 1.559 0.827) 6.864 8.543 ( 1.933 4.735 10.962) 12.096 8.874 ( -2.198 2.001 -0.166) 2.977 8.932 ( -0.683 -2.231 -2.835) 3.671 9.220 ( 13.631 2.531 -7.137) 15.593 9.369 ( 15.287 -0.898 -1.028) 15.348 10.375 ( -6.166 2.880 1.146) 6.901 10.461 ( -5.574 -2.268 -1.027) 6.105 10.759 ( -3.274 0.324 1.637) 3.675 10.952 ( 5.261 0.959 1.969) 5.699 11.194 ( -4.539 -5.997 4.297) 8.663 11.912 ( -8.200 0.673 -2.042) 8.477 12.109 ( -0.807 -1.157 -3.722) 3.980 12.612 ( 1.055 -3.869 2.249) 4.598 13.530 ( 3.088 3.168 1.146) 4.570 13.826 ( -9.222 4.805 0.982) 10.445 13.941 ( -10.994 1.010 3.717) 11.649 14.217 ( 9.734 0.586 2.456) 10.056 14.744 ( 28.199 -1.617 -8.092) 29.382 16.244 ( -0.422 0.841 0.603) 1.117 16.425 ( -5.852 1.393 2.102) 6.372 17.087 ( -12.148 5.465 -17.692) 22.146 17.509 ( 0.205 -2.644 3.968) 4.773 17.940 ( 13.539 -4.261 13.032) 19.269 19.570 ( -2.373 3.204 -2.003) 4.462 19.688 ( -5.682 -1.998 -0.139) 6.025 ======================= Grid point 29 (18/230) ======================= q-point: ( 0.22 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 2.295 18.111 14.913) 23.573 2.245 ( 25.822 10.979 14.484) 31.576 2.476 ( 11.086 -1.080 7.711) 13.547 2.843 ( 6.408 6.324 5.015) 10.306 3.239 ( 1.664 -2.309 0.104) 2.848 3.583 ( -4.090 5.538 -5.321) 8.702 3.845 ( -3.828 -0.329 -2.057) 4.358 4.062 ( 7.863 -1.409 -3.073) 8.559 4.295 ( 0.239 -2.361 -5.828) 6.293 4.556 ( 7.670 4.085 10.965) 13.991 5.144 ( 3.188 -10.935 1.016) 11.435 5.609 ( -2.855 3.049 0.066) 4.178 5.671 ( -2.722 2.874 3.511) 5.291 5.808 ( -8.184 -0.776 -1.643) 8.383 6.110 ( -2.167 -2.625 -6.616) 7.440 6.395 ( -1.869 -4.445 -4.385) 6.518 6.540 ( 2.299 -2.083 7.530) 8.144 7.239 ( -2.216 5.022 7.045) 8.931 7.393 ( -7.783 5.908 5.408) 11.168 7.557 ( -8.870 -2.438 -0.030) 9.199 7.790 ( -4.406 -3.979 -3.940) 7.125 7.928 ( 0.846 -5.765 -4.980) 7.665 8.384 ( -5.000 -1.894 -3.774) 6.545 8.698 ( 5.801 3.512 8.966) 11.242 8.902 ( 3.205 2.869 3.672) 5.656 8.944 ( 1.601 -0.647 0.995) 1.993 9.408 ( 11.162 3.226 -8.966) 14.676 9.610 ( 12.302 -0.638 -7.868) 14.617 10.226 ( -8.740 1.193 0.044) 8.821 10.316 ( -8.858 -2.026 0.403) 9.096 10.722 ( -3.381 -0.056 4.777) 5.853 11.014 ( -0.325 1.574 -1.442) 2.159 11.123 ( -6.247 -5.979 6.529) 10.836 11.749 ( -5.662 2.369 -0.845) 6.196 12.063 ( -0.832 -2.437 -4.599) 5.270 12.662 ( 1.907 -2.864 3.259) 4.739 13.549 ( -2.541 5.455 -2.368) 6.467 13.710 ( -3.516 4.942 8.272) 10.257 13.870 ( 0.870 -0.652 0.084) 1.090 14.402 ( 7.233 1.464 1.496) 7.529 15.210 ( 25.501 -1.259 -8.307) 26.850 16.228 ( -2.191 1.450 0.799) 2.746 16.292 ( -8.304 3.086 2.278) 9.147 16.803 ( -6.102 5.972 -14.413) 16.752 17.554 ( 0.957 -1.472 5.974) 6.227 18.242 ( 9.720 -5.255 9.550) 14.605 19.495 ( -3.237 2.461 -3.241) 5.200 19.562 ( -6.979 -1.925 0.656) 7.270 ======================= Grid point 30 (19/230) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 0.742 13.081 16.376) 20.972 2.610 ( 1.343 5.667 -0.050) 5.824 2.788 ( 23.302 10.866 6.667) 26.561 3.141 ( 12.967 -3.814 11.928) 18.027 3.271 ( 2.187 -6.955 -0.006) 7.291 3.494 ( -0.698 9.101 -4.494) 10.174 3.751 ( -1.166 0.613 -7.170) 7.290 4.158 ( 2.908 3.092 -2.062) 4.719 4.309 ( 0.757 -3.678 2.822) 4.697 4.731 ( 4.176 2.033 6.186) 7.735 5.217 ( 5.246 -10.143 -2.437) 11.677 5.504 ( -6.872 8.001 -1.766) 10.694 5.645 ( -3.539 0.915 0.454) 3.683 5.680 ( -2.365 1.760 1.415) 3.269 6.065 ( -1.883 -2.708 1.154) 3.495 6.212 ( -11.798 -5.385 -1.376) 13.042 6.665 ( 4.903 -1.410 4.254) 6.643 7.219 ( -3.382 3.045 2.219) 5.063 7.306 ( -5.501 -0.059 3.556) 6.550 7.448 ( -2.655 2.714 4.567) 5.939 7.694 ( -1.131 -6.460 -3.677) 7.519 7.928 ( 1.528 -5.794 -4.539) 7.517 8.273 ( -4.443 -2.557 -3.622) 6.277 8.813 ( 1.604 2.343 2.093) 3.528 8.982 ( 1.782 2.209 1.118) 3.050 9.067 ( 9.712 2.838 5.192) 11.372 9.514 ( 4.869 4.937 -4.660) 8.354 9.727 ( 6.936 -2.440 -10.526) 12.840 10.084 ( -5.860 -0.565 0.858) 5.949 10.151 ( -8.276 -1.964 0.993) 8.564 10.674 ( -6.154 -0.732 6.692) 9.121 10.932 ( -3.111 2.982 -7.110) 8.314 11.060 ( -4.547 -5.997 6.012) 9.632 11.700 ( -0.596 5.567 0.552) 5.626 12.026 ( -0.321 -5.554 -2.491) 6.096 12.717 ( 1.536 -2.433 2.596) 3.875 13.463 ( -3.607 6.966 -1.014) 7.910 13.742 ( 0.286 3.622 5.229) 6.367 13.944 ( 5.640 -0.417 1.146) 5.770 14.487 ( 1.114 2.497 -0.555) 2.790 15.587 ( 19.000 0.249 -6.898) 20.215 16.148 ( -4.574 5.745 0.345) 7.352 16.205 ( -3.900 1.272 2.994) 5.078 16.634 ( -3.724 3.185 -9.199) 10.423 17.620 ( 1.547 0.064 5.378) 5.597 18.440 ( 5.673 -3.420 5.748) 8.770 19.418 ( -2.328 2.399 -2.782) 4.350 19.447 ( -5.305 -4.423 0.969) 6.974 ======================= Grid point 31 (20/230) ======================= q-point: ( 0.44 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 0.227 7.310 9.554) 12.032 2.587 ( -0.989 8.091 -3.382) 8.825 3.171 ( 12.967 11.221 -5.208) 17.921 3.258 ( -3.608 -0.751 9.230) 9.939 3.413 ( 8.069 -2.824 4.777) 9.793 3.524 ( 3.761 4.521 -4.514) 7.414 3.710 ( -1.000 4.450 -1.590) 4.830 4.146 ( -1.568 -4.234 -0.854) 4.595 4.322 ( -1.183 -4.023 2.188) 4.730 4.800 ( 1.113 0.249 0.595) 1.287 5.299 ( 3.024 -10.354 -1.604) 10.905 5.404 ( -0.609 11.490 -0.838) 11.537 5.562 ( -3.726 2.394 -0.702) 4.484 5.686 ( 0.278 3.079 1.118) 3.287 5.948 ( -8.233 0.824 3.860) 9.131 6.116 ( 0.627 -10.219 -1.211) 10.309 6.752 ( 1.964 -0.607 1.130) 2.346 7.133 ( -3.577 -4.162 -0.026) 5.488 7.265 ( -1.485 0.809 1.025) 1.978 7.459 ( 0.146 7.623 1.232) 7.724 7.747 ( 5.013 -7.980 7.016) 11.749 7.890 ( -1.801 -7.863 -8.637) 11.818 8.169 ( -3.566 0.308 -1.059) 3.733 8.827 ( -0.086 2.822 0.256) 2.835 9.006 ( 0.845 2.466 -1.244) 2.888 9.261 ( 5.862 2.618 1.349) 6.561 9.557 ( 1.141 5.587 1.428) 5.879 9.761 ( 2.135 -4.080 -3.730) 5.926 10.007 ( -2.132 -0.594 -1.453) 2.647 10.035 ( -3.649 -2.200 0.757) 4.327 10.591 ( -4.292 -1.431 2.662) 5.250 10.860 ( -0.486 3.310 -3.266) 4.675 11.033 ( -1.456 -5.955 2.418) 6.591 11.696 ( -0.143 8.219 -0.164) 8.222 12.017 ( 0.139 -7.926 -0.339) 7.935 12.750 ( 0.557 -2.235 0.952) 2.492 13.413 ( -1.203 7.062 -0.264) 7.169 13.772 ( 0.194 3.553 1.734) 3.958 14.062 ( 4.264 -0.568 1.282) 4.488 14.458 ( -2.020 3.767 -1.187) 4.436 15.834 ( 9.838 1.375 -3.656) 10.585 16.078 ( -3.721 4.707 0.831) 6.058 16.165 ( -1.525 3.255 2.114) 4.170 16.534 ( -1.840 1.012 -3.600) 4.167 17.671 ( 0.798 1.143 2.154) 2.566 18.538 ( 1.879 -1.099 1.927) 2.907 19.375 ( -0.608 2.428 -1.497) 2.916 19.380 ( -2.173 -7.037 0.864) 7.416 ======================= Grid point 36 (21/230) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 0.000 0.000 0.000) 0.000 1.857 ( 0.000 0.000 0.000) 0.000 2.216 ( 0.000 0.000 0.000) 0.000 3.192 ( 0.000 0.000 0.000) 0.000 3.200 ( 0.000 0.000 0.000) 0.000 3.657 ( 0.000 0.000 0.000) 0.000 3.773 ( 0.000 0.000 0.000) 0.000 4.010 ( 0.000 0.000 0.000) 0.000 4.109 ( 0.000 0.000 0.000) 0.000 4.476 ( 0.000 0.000 0.000) 0.000 4.941 ( 0.000 0.000 0.000) 0.000 5.611 ( 0.000 0.000 0.000) 0.000 5.728 ( 0.000 0.000 0.000) 0.000 6.073 ( 0.000 0.000 0.000) 0.000 6.143 ( 0.000 0.000 0.000) 0.000 6.328 ( 0.000 0.000 0.000) 0.000 6.492 ( 0.000 0.000 0.000) 0.000 7.134 ( 0.000 0.000 0.000) 0.000 7.739 ( 0.000 0.000 0.000) 0.000 7.799 ( 0.000 0.000 0.000) 0.000 7.825 ( 0.000 -0.000 0.000) 0.000 7.983 ( 0.000 0.000 0.000) 0.000 8.539 ( 0.000 0.000 0.000) 0.000 8.625 ( 0.000 0.000 0.000) 0.000 9.022 ( 0.000 0.000 0.000) 0.000 9.047 ( 0.000 -0.000 0.000) 0.000 9.049 ( 0.000 0.000 0.000) 0.000 9.051 ( 0.000 0.000 0.000) 0.000 10.473 ( 0.000 0.000 0.000) 0.000 10.488 ( 0.000 0.000 0.000) 0.000 10.834 ( 0.000 0.000 0.000) 0.000 10.859 ( 0.000 0.000 0.000) 0.000 11.163 ( 0.000 0.000 0.000) 0.000 12.016 ( 0.000 0.000 0.000) 0.000 12.117 ( 0.000 0.000 0.000) 0.000 12.547 ( 0.000 0.000 0.000) 0.000 13.519 ( 0.000 0.000 0.000) 0.000 14.002 ( 0.000 0.000 0.000) 0.000 14.032 ( 0.000 0.000 0.000) 0.000 14.250 ( 0.000 0.000 0.000) 0.000 14.312 ( 0.000 0.000 0.000) 0.000 16.252 ( 0.000 0.000 0.000) 0.000 16.485 ( 0.000 0.000 0.000) 0.000 17.400 ( 0.000 0.000 0.000) 0.000 17.462 ( 0.000 0.000 0.000) 0.000 17.640 ( 0.000 0.000 0.000) 0.000 19.655 ( 0.000 -0.000 0.000) 0.000 19.703 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 38 (22/230) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 20.915 0.000 15.439) 25.996 1.995 ( 10.900 -0.000 7.519) 13.242 2.258 ( 1.748 -0.000 6.517) 6.747 3.037 ( -14.092 -0.000 7.112) 15.784 3.203 ( 0.369 0.000 -0.164) 0.404 3.743 ( 4.543 -0.000 -12.735) 13.521 3.807 ( 1.089 0.000 5.248) 5.360 3.898 ( 6.413 -0.000 -9.708) 11.635 4.345 ( 9.579 0.000 14.478) 17.360 4.392 ( -4.504 0.000 -9.428) 10.448 4.974 ( 1.574 0.000 4.258) 4.540 5.617 ( -0.710 0.000 3.905) 3.969 5.727 ( -0.234 0.000 -0.108) 0.257 5.942 ( -7.696 0.000 -0.849) 7.743 6.232 ( -4.806 0.000 -10.364) 11.424 6.275 ( 8.359 0.000 -1.960) 8.586 6.491 ( -1.574 0.000 4.364) 4.639 7.208 ( 2.496 0.000 10.001) 10.308 7.630 ( -9.166 0.000 1.429) 9.277 7.736 ( -9.828 0.000 1.800) 9.991 7.838 ( 1.368 0.000 1.649) 2.142 7.900 ( -3.417 -0.000 -10.468) 11.012 8.533 ( -8.388 0.000 -1.930) 8.607 8.600 ( 2.108 0.000 9.486) 9.718 8.884 ( -0.617 -0.000 -1.991) 2.084 8.918 ( -1.807 0.000 -0.645) 1.919 9.246 ( 14.159 -0.000 -8.205) 16.365 9.359 ( 15.508 0.000 0.390) 15.513 10.415 ( -6.290 0.000 -2.849) 6.906 10.430 ( -6.158 -0.000 4.028) 7.359 10.760 ( -4.006 0.000 2.852) 4.918 10.965 ( 6.006 0.000 -0.183) 6.008 11.132 ( -4.585 0.000 4.349) 6.320 11.919 ( -8.045 0.000 -1.775) 8.238 12.097 ( -0.785 0.000 -3.797) 3.878 12.572 ( 1.647 -0.000 2.368) 2.885 13.562 ( 2.996 -0.000 1.830) 3.511 13.878 ( -3.735 -0.000 -1.999) 4.236 13.945 ( -15.823 0.000 5.756) 16.837 14.223 ( 10.094 0.000 3.166) 10.579 14.729 ( 27.592 0.000 -7.578) 28.613 16.252 ( -0.335 0.000 0.669) 0.748 16.439 ( -5.474 0.000 2.047) 5.844 17.138 ( -11.000 0.000 -15.768) 19.226 17.482 ( 0.633 -0.000 3.958) 4.008 17.901 ( 12.379 0.000 12.073) 17.291 19.615 ( -3.036 0.000 -2.477) 3.918 19.655 ( -4.613 -0.000 -0.336) 4.625 ======================= Grid point 40 (23/230) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 16.441 -0.000 10.255) 19.378 2.350 ( 0.848 0.000 11.878) 11.909 2.477 ( 25.690 -0.000 17.744) 31.222 2.866 ( -7.193 -0.000 7.586) 10.454 3.207 ( 0.498 0.000 -1.501) 1.582 3.658 ( -1.527 0.000 -8.505) 8.641 3.833 ( -2.493 -0.000 1.300) 2.812 4.085 ( 15.202 -0.000 -11.972) 19.350 4.254 ( -1.450 0.000 -6.858) 7.010 4.599 ( 6.086 0.000 13.515) 14.822 5.042 ( 2.331 0.000 4.063) 4.684 5.638 ( -0.064 0.000 4.408) 4.409 5.708 ( -2.499 0.000 1.152) 2.752 5.788 ( -7.355 0.000 -2.647) 7.817 6.070 ( -3.147 0.000 -11.227) 11.660 6.352 ( -2.035 0.000 -1.472) 2.511 6.520 ( 2.013 0.000 7.941) 8.192 7.306 ( -0.617 0.000 11.328) 11.345 7.469 ( -7.976 -0.000 5.288) 9.570 7.507 ( -14.304 0.000 2.236) 14.478 7.750 ( -3.131 0.000 -13.653) 14.007 7.865 ( 1.231 -0.000 -0.861) 1.502 8.363 ( -5.270 0.000 -6.121) 8.077 8.734 ( 5.098 0.000 7.813) 9.329 8.929 ( 2.818 0.000 4.054) 4.937 8.941 ( 3.790 0.000 0.928) 3.902 9.441 ( 12.228 -0.000 -9.803) 15.672 9.603 ( 11.356 0.000 -6.592) 13.131 10.238 ( -9.583 0.000 -1.172) 9.655 10.297 ( -9.464 -0.000 2.643) 9.826 10.720 ( -3.937 0.000 6.082) 7.245 11.032 ( 0.773 0.000 -2.796) 2.901 11.061 ( -6.191 -0.000 6.349) 8.868 11.770 ( -4.887 0.000 0.483) 4.911 12.039 ( -1.676 -0.000 -5.699) 5.940 12.631 ( 2.196 -0.000 3.381) 4.031 13.606 ( -0.498 -0.000 -1.358) 1.447 13.769 ( -6.305 -0.000 8.017) 10.200 13.853 ( 1.972 0.000 -0.611) 2.065 14.417 ( 7.405 0.000 2.187) 7.721 15.198 ( 25.988 0.000 -7.853) 27.149 16.241 ( -1.705 0.000 1.206) 2.089 16.321 ( -7.696 0.000 2.915) 8.230 16.861 ( -6.922 0.000 -14.592) 16.150 17.539 ( 1.697 -0.000 6.229) 6.456 18.190 ( 9.840 0.000 9.805) 13.891 19.525 ( -3.711 0.000 -3.262) 4.941 19.538 ( -6.893 -0.000 -0.591) 6.918 ======================= Grid point 42 (24/230) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( -1.697 -0.000 12.372) 12.488 2.629 ( 3.697 -0.000 8.814) 9.558 2.977 ( 16.359 0.000 7.599) 18.038 3.022 ( 18.357 -0.000 12.312) 22.104 3.196 ( 0.273 0.000 -4.226) 4.234 3.600 ( 1.019 -0.000 -7.408) 7.477 3.751 ( -1.229 0.000 -5.830) 5.959 4.227 ( 3.428 -0.000 -4.902) 5.982 4.259 ( 1.016 -0.000 3.207) 3.364 4.739 ( 2.197 0.000 5.743) 6.149 5.126 ( 4.943 0.000 0.317) 4.953 5.633 ( -6.025 0.000 -2.778) 6.635 5.637 ( -4.103 -0.000 0.347) 4.118 5.676 ( 0.708 0.000 2.082) 2.199 5.989 ( 0.275 0.000 -4.583) 4.591 6.182 ( -14.374 -0.000 4.337) 15.014 6.648 ( 5.269 0.000 4.276) 6.785 7.252 ( -11.888 0.000 1.477) 11.979 7.334 ( -3.692 0.000 7.159) 8.055 7.458 ( 1.808 0.000 9.537) 9.707 7.619 ( -1.171 0.000 -11.270) 11.331 7.869 ( 1.133 0.000 -5.667) 5.780 8.248 ( -3.665 -0.000 -3.696) 5.205 8.835 ( 1.471 0.000 2.285) 2.717 9.004 ( 2.480 0.000 1.244) 2.775 9.097 ( 10.149 0.000 3.613) 10.773 9.573 ( 7.034 0.000 -5.830) 9.136 9.693 ( 4.142 -0.000 -8.686) 9.623 10.077 ( -7.157 0.000 2.647) 7.631 10.134 ( -7.764 -0.000 -0.054) 7.764 10.667 ( -6.803 0.000 7.370) 10.030 10.963 ( -2.574 0.000 -7.337) 7.776 10.997 ( -4.357 0.000 5.527) 7.038 11.759 ( 1.081 0.000 3.444) 3.610 11.965 ( -1.997 -0.000 -5.046) 5.426 12.691 ( 1.680 0.000 2.703) 3.183 13.539 ( -3.419 -0.000 -1.134) 3.602 13.778 ( -0.016 0.000 5.544) 5.544 13.934 ( 5.854 0.000 0.915) 5.925 14.512 ( 1.479 0.000 0.148) 1.487 15.590 ( 19.684 0.000 -6.737) 20.805 16.197 ( -4.081 -0.000 1.733) 4.433 16.223 ( -4.054 0.000 3.341) 5.253 16.667 ( -4.591 0.000 -10.742) 11.682 17.621 ( 2.273 -0.000 5.581) 6.026 18.405 ( 6.626 0.000 6.736) 9.449 19.402 ( -6.271 0.000 -0.786) 6.320 19.444 ( -2.501 0.000 -2.409) 3.472 ======================= Grid point 44 (25/230) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( -1.583 0.000 5.481) 5.705 2.682 ( -0.225 -0.000 3.208) 3.216 3.163 ( -0.317 0.000 -2.231) 2.253 3.291 ( 4.641 0.000 1.959) 5.038 3.403 ( 14.398 -0.000 8.819) 16.884 3.603 ( 6.437 -0.000 -8.767) 10.877 3.776 ( 4.204 0.000 -0.783) 4.277 4.104 ( -12.416 0.000 1.141) 12.469 4.277 ( -1.066 -0.000 2.243) 2.484 4.803 ( 3.070 0.000 -1.662) 3.491 5.196 ( 1.625 0.000 -0.621) 1.740 5.565 ( 0.237 0.000 -0.645) 0.688 5.570 ( -1.921 -0.000 -0.573) 2.005 5.703 ( 0.674 0.000 0.778) 1.029 5.954 ( -9.600 0.000 3.177) 10.112 5.990 ( 0.644 0.000 -0.210) 0.677 6.742 ( 2.150 0.000 1.248) 2.487 7.089 ( -4.798 0.000 0.179) 4.801 7.301 ( -2.091 0.000 1.606) 2.637 7.559 ( -0.065 -0.000 -3.622) 3.623 7.627 ( 5.965 0.000 13.518) 14.775 7.806 ( -2.129 0.000 -12.129) 12.314 8.173 ( -2.337 0.000 -0.256) 2.351 8.854 ( 0.059 0.000 0.489) 0.492 9.031 ( 0.802 0.000 -1.570) 1.763 9.289 ( 6.160 0.000 0.547) 6.184 9.638 ( 1.789 0.000 0.679) 1.913 9.695 ( 0.668 -0.000 -1.827) 1.945 9.997 ( -2.542 0.000 0.789) 2.662 10.019 ( -3.057 0.000 -1.832) 3.563 10.578 ( -4.610 0.000 2.885) 5.438 10.894 ( -0.520 0.000 -3.329) 3.369 10.971 ( -1.331 0.000 2.223) 2.591 11.805 ( 0.990 0.000 1.720) 1.984 11.909 ( -0.952 -0.000 -2.050) 2.260 12.726 ( 0.609 0.000 0.996) 1.168 13.489 ( -1.204 0.000 -0.295) 1.240 13.807 ( 0.153 0.000 1.836) 1.842 14.051 ( 4.115 0.000 1.040) 4.244 14.495 ( -1.600 0.000 -0.746) 1.765 15.848 ( 10.291 0.000 -3.772) 10.960 16.114 ( -5.083 -0.000 1.897) 5.425 16.209 ( -0.274 0.000 2.268) 2.285 16.544 ( -2.250 0.000 -4.689) 5.201 17.684 ( 1.099 0.000 2.213) 2.471 18.527 ( 2.561 0.000 2.549) 3.613 19.307 ( -2.698 0.000 -0.470) 2.738 19.401 ( -0.823 0.000 -0.846) 1.181 ======================= Grid point 81 (26/230) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -11.965 0.000 34.012) 36.056 0.687 ( 18.278 0.000 34.694) 39.214 1.158 ( -5.774 0.000 59.007) 59.289 3.002 ( 26.590 0.000 7.418) 27.605 3.171 ( 2.257 0.000 -4.457) 4.996 3.373 ( -1.731 0.000 1.989) 2.636 3.567 ( -4.748 0.000 -8.651) 9.869 3.863 ( 1.462 0.000 5.356) 5.552 4.226 ( 5.301 0.000 4.135) 6.723 4.865 ( 2.060 0.000 0.685) 2.171 5.320 ( 7.235 0.000 -7.586) 10.482 5.599 ( -7.377 0.000 2.966) 7.951 5.766 ( 0.679 0.000 -2.453) 2.546 6.234 ( 3.440 0.000 -6.406) 7.271 6.255 ( -0.430 0.000 -5.812) 5.828 6.467 ( -11.091 0.000 -3.358) 11.588 6.477 ( 4.124 0.000 -11.012) 11.759 7.115 ( 0.272 0.000 3.242) 3.253 7.193 ( 0.887 0.000 2.925) 3.056 7.801 ( -1.082 0.000 -1.593) 1.926 8.091 ( 2.159 0.000 6.335) 6.693 8.183 ( -2.213 0.000 4.427) 4.950 8.344 ( 16.594 0.000 1.869) 16.699 8.411 ( 9.071 0.000 3.337) 9.665 8.881 ( 4.549 0.000 -1.058) 4.670 8.915 ( -9.265 0.000 6.265) 11.184 9.111 ( -11.183 0.000 0.991) 11.227 9.173 ( 2.452 0.000 -6.856) 7.282 10.559 ( -7.549 0.000 -4.800) 8.945 10.563 ( -0.999 0.000 -6.060) 6.142 10.664 ( -8.431 0.000 -1.102) 8.503 11.273 ( 3.436 0.000 -7.300) 8.068 11.515 ( 1.357 0.000 -0.599) 1.483 11.965 ( -3.756 0.000 -2.454) 4.486 12.451 ( -1.671 0.000 6.264) 6.484 13.182 ( -9.074 0.000 3.030) 9.567 13.702 ( 31.084 0.000 -7.008) 31.864 13.831 ( -6.260 0.000 2.039) 6.583 13.885 ( 3.088 0.000 3.860) 4.943 14.098 ( 17.179 0.000 5.520) 18.044 15.364 (-155.377 0.000 -0.578) 155.378 15.680 ( 0.326 0.000 -2.893) 2.911 16.209 ( -0.130 0.000 0.868) 0.877 16.412 ( -0.092 0.000 -0.325) 0.338 17.689 ( 1.451 0.000 5.401) 5.593 18.639 ( -2.083 0.000 1.861) 2.794 19.287 ( 70.820 0.000 -3.861) 70.925 19.454 ( 3.996 0.000 -1.586) 4.299 ======================= Grid point 82 (27/230) ======================= q-point: ( 0.11 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 8.402 0.000 27.398) 28.657 1.246 ( 12.953 0.000 37.048) 39.247 1.829 ( 32.420 0.000 41.243) 52.460 3.043 ( -13.511 0.000 15.154) 20.303 3.185 ( -0.139 0.000 -4.908) 4.910 3.358 ( 1.292 0.000 2.123) 2.485 3.565 ( 3.820 0.000 -13.422) 13.955 4.168 ( 21.399 0.000 -11.032) 24.076 4.381 ( 6.051 0.000 6.640) 8.984 4.872 ( -2.590 0.000 2.204) 3.401 5.373 ( 0.665 0.000 -4.309) 4.360 5.469 ( -4.863 0.000 -1.537) 5.100 5.712 ( -4.753 0.000 -2.827) 5.530 6.196 ( 1.077 0.000 -6.563) 6.651 6.225 ( -9.872 0.000 -6.038) 11.572 6.245 ( 0.765 0.000 -1.300) 1.508 6.568 ( 10.283 0.000 -7.871) 12.950 7.080 ( -12.185 0.000 5.137) 13.224 7.158 ( 2.739 0.000 2.305) 3.580 7.744 ( -4.161 0.000 -0.930) 4.264 8.178 ( -1.103 0.000 5.219) 5.335 8.187 ( 2.333 0.000 7.107) 7.480 8.574 ( 3.552 0.000 6.143) 7.096 8.581 ( 1.591 0.000 12.708) 12.807 8.907 ( -4.636 0.000 -7.250) 8.605 8.925 ( 1.986 0.000 0.130) 1.990 8.986 ( 9.004 0.000 0.772) 9.037 9.242 ( 8.710 0.000 -10.847) 13.911 10.332 ( -11.177 0.000 3.689) 11.770 10.480 ( -3.009 0.000 -4.967) 5.807 10.582 ( -0.728 0.000 -5.416) 5.465 11.263 ( 0.678 0.000 -6.746) 6.781 11.524 ( -0.308 0.000 -0.468) 0.560 11.678 ( -25.327 0.000 2.297) 25.431 12.462 ( -1.351 0.000 6.150) 6.297 12.863 ( -27.205 0.000 31.549) 41.659 13.626 ( -12.327 0.000 6.836) 14.095 13.662 ( -8.795 0.000 3.014) 9.297 13.990 ( -15.864 0.000 10.844) 19.216 14.050 ( 7.461 0.000 1.680) 7.648 14.674 ( 30.569 0.000 -12.718) 33.109 15.643 ( -1.678 0.000 -2.271) 2.823 16.219 ( 0.008 0.000 1.303) 1.303 16.429 ( 1.836 0.000 -0.633) 1.942 17.742 ( -0.677 0.000 7.629) 7.659 18.614 ( -1.250 0.000 0.571) 1.374 19.375 ( -2.903 0.000 -4.752) 5.569 19.857 ( 8.472 0.000 -9.269) 12.558 ======================= Grid point 83 (28/230) ======================= q-point: ( 0.22 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 15.543 0.000 19.816) 25.184 1.735 ( 12.463 0.000 34.063) 36.272 2.713 ( 33.021 0.000 25.984) 42.018 2.903 ( -11.223 0.000 13.714) 17.721 3.066 ( -8.547 0.000 -1.918) 8.760 3.479 ( 9.469 0.000 -1.193) 9.544 3.528 ( 1.775 0.000 -10.293) 10.445 4.395 ( 11.634 0.000 -11.393) 16.284 4.507 ( 2.214 0.000 4.239) 4.783 4.793 ( -6.857 0.000 2.008) 7.145 5.247 ( -9.917 0.000 2.494) 10.226 5.432 ( 2.406 0.000 -10.579) 10.849 5.585 ( -5.208 0.000 -1.787) 5.506 6.028 ( -7.251 0.000 -3.390) 8.004 6.222 ( 4.914 0.000 -5.118) 7.095 6.258 ( -0.500 0.000 3.757) 3.790 6.717 ( 10.114 0.000 -8.440) 13.173 6.850 ( -12.839 0.000 0.768) 12.862 7.270 ( 6.758 0.000 4.160) 7.936 7.635 ( -5.930 0.000 -0.761) 5.979 8.199 ( -1.425 0.000 6.042) 6.208 8.246 ( -1.875 0.000 8.261) 8.471 8.543 ( -5.898 0.000 -6.859) 9.046 8.639 ( -3.739 0.000 4.837) 6.114 8.802 ( -0.610 0.000 -4.919) 4.957 9.025 ( 4.411 0.000 13.340) 14.050 9.173 ( 7.949 0.000 2.834) 8.439 9.383 ( 13.912 0.000 -12.084) 18.428 10.183 ( -6.634 0.000 0.883) 6.692 10.400 ( -3.087 0.000 -1.199) 3.311 10.554 ( 1.888 0.000 -5.913) 6.207 11.216 ( -23.575 0.000 7.537) 24.750 11.218 ( -0.522 0.000 -5.745) 5.769 11.490 ( -2.773 0.000 -0.719) 2.864 12.488 ( -0.114 0.000 5.627) 5.628 12.724 ( -10.038 0.000 21.933) 24.121 13.548 ( -5.730 0.000 4.026) 7.003 13.563 ( -1.342 0.000 3.835) 4.063 13.882 ( -2.925 0.000 0.483) 2.965 14.160 ( 3.518 0.000 -0.863) 3.622 15.097 ( 23.035 0.000 -11.177) 25.603 15.617 ( 0.302 0.000 0.047) 0.306 16.222 ( -1.027 0.000 2.003) 2.251 16.458 ( 1.529 0.000 -1.075) 1.870 17.758 ( -3.116 0.000 7.395) 8.024 18.604 ( -0.005 0.000 0.171) 0.171 19.274 ( -3.460 0.000 -5.614) 6.595 19.868 ( -0.296 0.000 -3.747) 3.759 ======================= Grid point 84 (29/230) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 14.456 0.000 15.212) 20.985 2.148 ( 6.963 0.000 29.778) 30.581 2.770 ( -10.622 0.000 10.805) 15.152 2.867 ( -11.007 0.000 0.305) 11.011 3.353 ( 14.817 0.000 10.369) 18.085 3.540 ( 9.332 0.000 -6.677) 11.475 3.667 ( 11.246 0.000 -3.468) 11.768 4.482 ( -6.487 0.000 -0.580) 6.513 4.517 ( 9.888 0.000 -9.695) 13.848 4.676 ( -5.072 0.000 1.386) 5.258 5.092 ( -6.725 0.000 1.361) 6.861 5.386 ( -0.415 0.000 -8.761) 8.771 5.517 ( -1.512 0.000 -0.544) 1.606 5.876 ( -7.089 0.000 -3.424) 7.873 6.260 ( -3.591 0.000 6.586) 7.501 6.289 ( 5.025 0.000 -3.748) 6.269 6.658 ( -6.166 0.000 0.825) 6.221 6.817 ( 6.952 0.000 -10.896) 12.925 7.386 ( 0.277 0.000 -2.598) 2.612 7.611 ( 4.987 0.000 8.841) 10.150 8.159 ( -6.926 0.000 2.378) 7.322 8.215 ( -7.414 0.000 3.257) 8.098 8.380 ( -3.108 0.000 -5.245) 6.097 8.461 ( -6.720 0.000 -9.794) 11.877 8.880 ( 4.178 0.000 6.456) 7.690 9.204 ( 3.198 0.000 12.602) 13.002 9.308 ( 4.145 0.000 1.503) 4.409 9.572 ( 13.178 0.000 -10.803) 17.040 10.094 ( -3.422 0.000 3.093) 4.613 10.346 ( -3.014 0.000 2.473) 3.898 10.569 ( 3.087 0.000 -4.196) 5.210 10.902 ( -14.491 0.000 6.775) 15.996 11.184 ( 0.458 0.000 -3.159) 3.192 11.412 ( -4.342 0.000 -1.671) 4.652 12.526 ( 0.053 0.000 4.735) 4.735 12.693 ( -6.532 0.000 13.385) 14.893 13.491 ( -3.274 0.000 3.949) 5.129 13.572 ( -0.259 0.000 1.984) 2.000 13.856 ( -0.171 0.000 0.030) 0.173 14.181 ( 0.300 0.000 -1.639) 1.667 15.422 ( 17.936 0.000 -8.041) 19.656 15.657 ( 2.497 0.000 2.565) 3.580 16.203 ( -2.808 0.000 3.090) 4.175 16.469 ( 0.481 0.000 -1.236) 1.327 17.723 ( -4.552 0.000 4.252) 6.229 18.617 ( 0.809 0.000 1.196) 1.444 19.181 ( -1.890 0.000 -6.171) 6.454 19.824 ( -1.330 0.000 -4.179) 4.386 ======================= Grid point 85 (30/230) ======================= q-point: ( 0.44 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 4.072 0.000 12.072) 12.741 2.331 ( -8.075 0.000 20.333) 21.878 2.685 ( -4.735 0.000 13.456) 14.264 2.692 ( -6.048 0.000 2.195) 6.434 3.435 ( -0.586 0.000 -3.389) 3.440 3.737 ( 6.598 0.000 -3.236) 7.348 3.831 ( 7.473 0.000 -5.409) 9.225 4.322 ( -6.477 0.000 -2.012) 6.782 4.616 ( -2.148 0.000 -0.387) 2.183 4.643 ( 9.347 0.000 -12.255) 15.413 5.029 ( -1.790 0.000 0.936) 2.020 5.294 ( -3.889 0.000 -2.882) 4.840 5.483 ( -1.575 0.000 -2.826) 3.236 5.722 ( -3.637 0.000 -6.933) 7.830 6.210 ( -4.386 0.000 3.322) 5.503 6.358 ( 3.906 0.000 -1.563) 4.207 6.640 ( 0.743 0.000 6.263) 6.307 6.839 ( 4.236 0.000 -13.426) 14.079 7.335 ( -0.469 0.000 -3.708) 3.738 7.789 ( -3.301 0.000 9.650) 10.199 7.996 ( -2.350 0.000 -12.443) 12.663 8.045 ( -2.994 0.000 0.182) 3.000 8.359 ( 0.705 0.000 1.556) 1.708 8.404 ( 1.336 0.000 2.971) 3.258 8.950 ( -1.525 0.000 2.650) 3.057 9.232 ( -5.540 0.000 -5.078) 7.515 9.377 ( 2.180 0.000 8.337) 8.618 9.746 ( 12.529 0.000 -8.246) 14.999 10.121 ( 1.033 0.000 10.628) 10.678 10.316 ( -3.406 0.000 5.974) 6.877 10.607 ( 2.114 0.000 0.160) 2.120 10.747 ( -5.653 0.000 4.476) 7.211 11.191 ( 0.964 0.000 -1.416) 1.713 11.321 ( -2.550 0.000 -2.285) 3.424 12.542 ( -1.472 0.000 3.195) 3.518 12.646 ( -6.065 0.000 8.191) 10.192 13.464 ( -2.053 0.000 2.599) 3.312 13.570 ( -1.163 0.000 1.041) 1.561 13.870 ( 1.255 0.000 0.761) 1.467 14.185 ( 1.122 0.000 0.808) 1.383 15.673 ( 12.733 0.000 -4.926) 13.653 15.716 ( 0.628 0.000 3.549) 3.604 16.159 ( -4.273 0.000 4.789) 6.418 16.468 ( 0.529 0.000 -0.851) 1.002 17.652 ( -4.025 0.000 0.015) 4.025 18.645 ( 0.635 0.000 2.720) 2.793 19.126 ( 0.844 0.000 -6.804) 6.856 19.762 ( -1.392 0.000 -6.616) 6.761 ======================= Grid point 86 (31/230) ======================= q-point: (-0.44 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( -15.562 0.000 10.667) 18.867 2.152 ( -19.578 0.000 13.010) 23.507 2.729 ( -3.608 0.000 14.870) 15.301 2.737 ( 7.713 0.000 3.562) 8.496 3.296 ( -11.479 0.000 -10.874) 15.812 3.738 ( -2.472 0.000 -2.666) 3.636 3.807 ( -5.504 0.000 -6.241) 8.321 4.292 ( 4.492 0.000 -3.670) 5.800 4.581 ( -0.540 0.000 -2.470) 2.528 4.650 ( -0.119 0.000 -14.280) 14.280 4.927 ( -4.830 0.000 -1.663) 5.108 5.359 ( 10.675 0.000 1.180) 10.740 5.429 ( -0.307 0.000 -4.265) 4.276 5.688 ( 4.782 0.000 -6.264) 7.881 6.156 ( -2.256 0.000 0.054) 2.257 6.404 ( 0.788 0.000 0.462) 0.913 6.733 ( 2.841 0.000 9.340) 9.763 6.806 ( 3.101 0.000 -16.358) 16.649 7.337 ( 1.109 0.000 -2.247) 2.506 7.544 ( -11.036 0.000 -6.356) 12.735 8.064 ( 2.768 0.000 2.287) 3.591 8.079 ( 4.501 0.000 3.383) 5.631 8.404 ( 2.346 0.000 1.730) 2.914 8.483 ( 3.677 0.000 0.377) 3.696 8.860 ( -5.732 0.000 -3.191) 6.561 8.988 ( -10.845 0.000 -13.534) 17.343 9.502 ( 2.042 0.000 15.554) 15.688 9.956 ( 11.989 0.000 -0.182) 11.991 10.218 ( 0.115 0.000 11.076) 11.076 10.275 ( -5.898 0.000 6.654) 8.892 10.646 ( 0.755 0.000 4.163) 4.231 10.754 ( 3.180 0.000 4.257) 5.313 11.156 ( -0.590 0.000 -6.743) 6.769 11.334 ( 3.147 0.000 1.548) 3.508 12.513 ( -3.073 0.000 1.790) 3.556 12.572 ( -6.308 0.000 5.115) 8.121 13.450 ( -0.745 0.000 1.839) 1.984 13.537 ( -2.660 0.000 -0.097) 2.662 13.911 ( 1.908 0.000 1.908) 2.698 14.239 ( 2.261 0.000 4.007) 4.601 15.711 ( -3.160 0.000 2.502) 4.031 15.836 ( 5.600 0.000 1.014) 5.691 16.122 ( -2.783 0.000 5.932) 6.553 16.483 ( 1.168 0.000 0.072) 1.170 17.583 ( -1.876 0.000 -2.921) 3.471 18.672 ( -0.209 0.000 3.747) 3.753 19.118 ( 3.599 0.000 -8.690) 9.406 19.679 ( -1.486 0.000 -9.836) 9.948 ======================= Grid point 87 (32/230) ======================= q-point: (-0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -24.008 0.000 13.099) 27.348 1.808 ( -25.725 0.000 14.381) 29.472 2.699 ( -8.797 0.000 6.368) 10.861 2.779 ( -31.652 0.000 -12.962) 34.203 2.949 ( 10.753 0.000 2.596) 11.062 3.614 ( -9.427 0.000 -4.677) 10.524 3.682 ( -0.930 0.000 -1.308) 1.604 4.313 ( -0.054 0.000 -9.179) 9.179 4.501 ( -2.939 0.000 -13.727) 14.038 4.592 ( 4.552 0.000 -2.867) 5.380 4.943 ( 6.885 0.000 -4.124) 8.026 5.461 ( 6.073 0.000 -1.447) 6.243 5.572 ( 8.284 0.000 0.577) 8.304 5.844 ( 13.856 0.000 2.533) 14.086 6.127 ( 0.300 0.000 -2.848) 2.864 6.378 ( -3.618 0.000 -0.528) 3.657 6.750 ( 3.260 0.000 -17.665) 17.963 6.855 ( 3.176 0.000 8.241) 8.832 7.206 ( -9.187 0.000 -0.923) 9.233 7.525 ( 8.044 0.000 -2.737) 8.497 8.127 ( 1.238 0.000 3.085) 3.325 8.148 ( -0.087 0.000 5.482) 5.483 8.398 ( -3.824 0.000 -9.060) 9.834 8.426 ( -7.286 0.000 -8.427) 11.140 8.750 ( -3.229 0.000 -5.862) 6.693 8.823 ( 4.913 0.000 -2.070) 5.331 9.623 ( -3.696 0.000 17.822) 18.201 10.069 ( -11.860 0.000 13.039) 17.626 10.266 ( 9.770 0.000 -2.921) 10.197 10.294 ( 3.157 0.000 8.366) 8.942 10.712 ( 2.492 0.000 6.376) 6.846 10.907 ( 7.516 0.000 10.176) 12.651 11.128 ( 3.840 0.000 -9.559) 10.301 11.411 ( 3.033 0.000 1.767) 3.510 12.463 ( -2.977 0.000 1.693) 3.425 12.474 ( -7.447 0.000 4.970) 8.953 13.468 ( -3.796 0.000 -1.765) 4.186 13.472 ( 1.662 0.000 2.772) 3.232 13.964 ( 1.884 0.000 2.764) 3.345 14.291 ( -1.111 0.000 5.243) 5.359 15.653 ( -3.080 0.000 0.477) 3.116 15.927 ( 0.033 0.000 15.103) 15.103 16.141 ( 0.549 0.000 4.735) 4.766 16.501 ( 0.041 0.000 0.550) 0.552 17.550 ( 0.750 0.000 -3.225) 3.312 18.686 ( -1.187 0.000 4.070) 4.239 19.125 ( 4.765 0.000 -16.201) 16.888 19.571 ( -2.039 0.000 -11.747) 11.922 ======================= Grid point 88 (33/230) ======================= q-point: (-0.22 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -27.327 0.000 18.299) 32.888 1.366 ( -31.242 0.000 14.733) 34.542 1.929 ( -44.891 0.000 -3.360) 45.017 2.580 ( -8.992 0.000 3.332) 9.589 3.147 ( 8.264 0.000 -0.821) 8.305 3.419 ( -7.834 0.000 -1.008) 7.898 3.683 ( 2.208 0.000 -3.740) 4.343 4.207 ( -2.417 0.000 -9.032) 9.350 4.356 ( -2.362 0.000 -17.653) 17.811 4.690 ( 6.710 0.000 -2.687) 7.227 5.078 ( 9.336 0.000 -4.623) 10.418 5.611 ( 8.564 0.000 -0.251) 8.567 5.676 ( 2.064 0.000 2.167) 2.992 6.124 ( 3.967 0.000 -2.228) 4.549 6.226 ( 17.752 0.000 9.197) 19.993 6.288 ( -3.081 0.000 -3.307) 4.520 6.679 ( 0.815 0.000 -16.025) 16.046 6.938 ( 0.617 0.000 3.053) 3.115 7.090 ( -3.895 0.000 4.285) 5.791 7.686 ( 9.253 0.000 -1.911) 9.449 8.139 ( -2.921 0.000 0.542) 2.971 8.145 ( -5.562 0.000 2.698) 6.182 8.206 ( -2.908 0.000 -9.931) 10.348 8.227 ( -2.544 0.000 -7.138) 7.578 8.756 ( 2.486 0.000 0.512) 2.538 8.939 ( 7.331 0.000 -2.014) 7.602 9.530 ( -15.321 0.000 9.552) 18.055 9.812 ( -19.786 0.000 7.704) 21.233 10.460 ( 9.236 0.000 -0.862) 9.276 10.477 ( 9.027 0.000 3.231) 9.588 10.824 ( 3.737 0.000 6.729) 7.697 11.168 ( 6.660 0.000 -9.720) 11.783 11.226 ( 15.471 0.000 28.755) 32.653 11.464 ( 1.719 0.000 0.481) 1.785 12.369 ( -8.430 0.000 12.276) 14.892 12.434 ( -1.647 0.000 3.191) 3.591 13.377 ( -3.630 0.000 -3.100) 4.774 13.553 ( 4.361 0.000 4.047) 5.950 14.012 ( 1.029 0.000 2.299) 2.519 14.239 ( -7.921 0.000 4.352) 9.038 15.628 ( 1.024 0.000 -1.101) 1.504 16.118 ( 5.789 0.000 16.349) 17.344 16.223 ( 2.890 0.000 30.101) 30.239 16.484 ( -1.945 0.000 0.179) 1.953 17.567 ( 2.483 0.000 -1.119) 2.724 18.682 ( -1.942 0.000 3.818) 4.283 18.983 ( -3.044 0.000 -43.228) 43.335 19.472 ( -1.122 0.000 -5.102) 5.224 ======================= Grid point 89 (34/230) ======================= q-point: (-0.11 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( -36.366 0.000 4.251) 36.614 0.852 ( -26.257 0.000 26.566) 37.352 1.236 ( -35.596 0.000 40.702) 54.071 2.501 ( 0.565 0.000 14.662) 14.673 3.194 ( -0.183 0.000 -5.831) 5.834 3.362 ( 0.185 0.000 3.759) 3.763 3.690 ( 1.732 0.000 -7.733) 7.924 4.108 ( -12.704 0.000 -16.477) 20.806 4.152 ( 1.444 0.000 -2.610) 2.982 4.794 ( 5.319 0.000 -1.418) 5.504 5.216 ( 8.610 0.000 -6.168) 10.591 5.683 ( -3.305 0.000 3.344) 4.702 5.733 ( 4.484 0.000 -1.853) 4.852 6.186 ( 6.037 0.000 -7.082) 9.306 6.253 ( 2.058 0.000 -4.141) 4.624 6.563 ( -1.878 0.000 -13.807) 13.934 6.591 ( 4.095 0.000 9.422) 10.273 6.974 ( 8.687 0.000 2.468) 9.030 7.089 ( -0.694 0.000 5.544) 5.587 7.804 ( 3.298 0.000 -2.278) 4.008 8.046 ( -1.490 0.000 0.934) 1.759 8.101 ( 5.162 0.000 -3.483) 6.227 8.188 ( -0.470 0.000 3.320) 3.353 8.253 ( 5.417 0.000 -0.454) 5.436 8.810 ( 2.398 0.000 1.715) 2.948 9.059 ( 6.448 0.000 -1.933) 6.731 9.215 ( -20.636 0.000 3.432) 20.920 9.461 ( -19.784 0.000 3.003) 20.011 10.573 ( 3.820 0.000 -3.421) 5.128 10.596 ( 3.923 0.000 -4.433) 5.919 10.857 ( -3.359 0.000 -4.396) 5.532 11.233 ( 6.155 0.000 -8.600) 10.576 11.491 ( 1.358 0.000 -0.411) 1.418 11.867 ( 19.076 0.000 12.721) 22.929 12.438 ( -1.147 0.000 5.192) 5.318 12.572 ( 25.748 0.000 54.264) 60.063 13.298 ( -2.399 0.000 -2.447) 3.427 13.691 ( 6.860 0.000 4.396) 8.147 14.028 ( -0.410 0.000 0.956) 1.040 14.064 ( -12.083 0.000 2.844) 12.413 15.663 ( 2.890 0.000 -2.166) 3.611 16.187 ( 1.245 0.000 -0.188) 1.259 16.439 ( -2.293 0.000 -0.224) 2.304 17.172 ( 62.174 0.000 89.396) 108.891 17.622 ( 2.637 0.000 2.130) 3.390 18.125 ( -55.079 0.000 -88.466) 104.211 18.665 ( -2.282 0.000 3.068) 3.824 19.456 ( 0.536 0.000 -1.145) 1.265 ======================= Grid point 90 (35/230) ======================= q-point: ( 0.00 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 18.709 17.793 24.054) 35.288 0.954 ( 0.315 22.255 26.738) 34.790 1.567 ( -10.760 36.127 41.820) 56.301 2.617 ( 7.358 -16.024 17.066) 24.538 3.168 ( 2.490 -1.534 -3.342) 4.441 3.589 ( -1.762 2.418 -9.410) 9.874 3.865 ( 15.159 18.993 -10.866) 26.620 3.900 ( -8.278 6.958 -0.098) 10.814 4.213 ( 4.609 -0.747 4.073) 6.196 4.699 ( 0.659 -14.947 1.809) 15.071 5.346 ( 6.097 0.599 -8.711) 10.650 5.609 ( -4.893 0.327 3.684) 6.133 5.774 ( -0.297 -0.427 -1.960) 2.028 6.022 ( 2.468 -7.697 -3.373) 8.758 6.323 ( -1.700 -2.745 -4.648) 5.660 6.462 ( 1.728 -2.450 -10.885) 11.290 6.511 ( -6.039 2.850 -1.827) 6.924 7.099 ( 2.503 0.020 6.267) 6.748 7.224 ( 0.844 6.309 2.712) 6.919 7.831 ( -1.567 2.119 -3.246) 4.182 8.027 ( -0.258 -7.091 2.494) 7.522 8.155 ( -0.489 -2.778 1.204) 3.067 8.403 ( 13.499 4.283 3.297) 14.541 8.448 ( 9.876 3.496 1.699) 10.613 8.889 ( 4.500 0.920 -1.259) 4.762 8.934 ( -10.021 1.862 5.967) 11.811 9.113 ( -14.293 -0.073 0.898) 14.322 9.167 ( 5.539 -0.527 -5.618) 7.907 10.505 ( -6.899 -4.155 -0.896) 8.103 10.552 ( -0.807 -1.081 -5.663) 5.821 10.683 ( -6.419 2.189 -1.458) 6.937 11.193 ( 2.562 -6.565 8.360) 10.934 11.432 ( 4.217 -6.757 0.489) 7.980 11.975 ( -3.277 0.905 -1.878) 3.884 12.348 ( -4.317 -7.994 10.797) 14.111 13.043 ( -4.924 -19.888 12.864) 24.193 13.338 ( 5.482 -1.275 1.181) 5.751 13.848 ( -4.466 1.770 1.428) 5.012 14.042 ( 16.561 3.866 0.965) 17.034 14.131 ( 9.375 3.073 4.433) 10.816 14.660 ( -50.835 -18.015 20.543) 57.712 16.206 ( -0.189 1.311 -0.691) 1.494 16.386 ( 3.068 4.251 -6.520) 8.366 16.623 ( -40.117 28.270 -28.966) 56.988 17.675 ( 1.078 -1.446 5.544) 5.830 18.215 ( 22.753 -21.637 20.273) 37.374 19.448 ( 0.947 2.492 -4.421) 5.163 19.599 ( 21.245 10.385 -12.788) 26.884 ======================= Grid point 91 (36/230) ======================= q-point: ( 0.11 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 11.283 26.397 16.061) 32.895 1.446 ( 13.891 17.446 30.075) 37.441 1.967 ( 23.379 15.820 39.851) 48.836 2.780 ( -1.693 -14.055 12.913) 19.161 3.239 ( 6.710 -2.714 -3.302) 7.956 3.466 ( -5.853 6.040 -1.839) 8.609 3.679 ( -5.557 11.840 -9.449) 16.136 4.186 ( 16.467 2.067 -6.889) 17.969 4.363 ( 6.263 -1.356 6.412) 9.065 4.684 ( -3.932 -16.725 3.020) 17.445 5.397 ( 5.084 -0.124 -9.023) 10.357 5.528 ( -5.865 4.381 2.700) 7.802 5.705 ( -4.721 -0.547 -2.816) 5.524 5.998 ( -4.203 -8.390 -3.122) 9.889 6.202 ( -2.773 -3.112 -2.598) 4.912 6.381 ( -0.922 4.258 -6.652) 7.952 6.572 ( 8.955 0.412 -3.651) 9.680 7.130 ( -9.250 5.735 3.747) 11.510 7.194 ( 2.430 3.682 0.754) 4.475 7.739 ( -5.380 -0.994 -2.020) 5.832 8.062 ( 0.718 -7.446 4.892) 8.939 8.167 ( -0.001 -4.735 3.634) 5.969 8.583 ( 1.161 0.917 11.249) 11.346 8.623 ( 1.279 2.515 6.240) 6.848 8.877 ( -1.676 -1.518 -4.490) 5.027 8.911 ( 0.764 -1.094 0.836) 1.574 9.019 ( 8.056 2.688 -2.135) 8.757 9.265 ( 9.079 1.777 -9.191) 13.040 10.338 ( -9.404 0.665 2.519) 9.758 10.474 ( -3.348 -0.674 -4.143) 5.369 10.604 ( -0.208 2.193 -5.834) 6.236 11.246 ( -0.703 -1.850 1.831) 2.696 11.477 ( -0.107 -4.656 1.059) 4.776 11.733 ( -19.914 4.843 -2.064) 20.598 12.335 ( -3.667 -9.915 11.484) 15.609 12.871 ( -14.583 -2.271 17.845) 23.157 13.430 ( 2.062 -5.019 -0.481) 5.448 13.752 ( -7.142 3.125 5.255) 9.402 14.006 ( -20.179 2.106 13.986) 24.642 14.176 ( 4.380 6.559 2.223) 8.194 14.651 ( 29.011 -1.648 -9.258) 30.497 15.960 ( -12.629 24.443 -13.168) 30.502 16.237 ( -0.730 2.301 0.949) 2.593 16.441 ( 2.480 1.482 -1.432) 3.225 17.727 ( -0.685 -1.612 7.689) 7.886 18.505 ( 4.575 -9.962 4.857) 11.990 19.393 ( -2.634 1.815 -4.937) 5.883 19.781 ( 5.167 -5.924 -6.668) 10.308 ======================= Grid point 92 (37/230) ======================= q-point: ( 0.22 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 14.899 23.572 12.708) 30.645 1.873 ( 9.776 13.863 32.027) 36.242 2.744 ( 23.606 1.532 23.964) 33.673 2.768 ( 0.253 -4.815 8.957) 10.173 3.265 ( -6.629 11.144 1.065) 13.010 3.434 ( 5.511 -2.753 1.052) 6.250 3.559 ( 0.787 2.991 -11.231) 11.649 4.386 ( 9.724 -0.663 -6.859) 11.918 4.500 ( 3.111 -0.189 4.025) 5.090 4.599 ( -5.965 -16.003 2.462) 17.255 5.374 ( -5.958 8.545 -0.121) 10.418 5.448 ( 1.409 0.493 -8.994) 9.117 5.586 ( -5.066 0.555 -1.874) 5.430 5.859 ( -5.896 -10.711 -3.043) 12.599 6.202 ( -0.425 -1.686 5.364) 5.639 6.359 ( 2.143 4.561 -5.570) 7.511 6.701 ( 4.104 -0.701 -2.122) 4.672 6.931 ( -6.864 7.487 -4.183) 10.985 7.294 ( 5.806 2.367 3.703) 7.282 7.608 ( -6.759 -2.746 -1.013) 7.366 8.078 ( -3.588 -8.981 5.038) 10.904 8.192 ( -0.124 -6.172 4.304) 7.526 8.549 ( -7.895 -4.191 0.427) 8.949 8.644 ( -0.659 3.578 -0.948) 3.760 8.837 ( 0.001 3.342 -3.118) 4.571 9.005 ( 5.049 -1.901 10.779) 12.054 9.199 ( 8.951 2.644 0.705) 9.359 9.401 ( 12.098 1.476 -10.557) 16.124 10.193 ( -6.916 1.013 1.150) 7.084 10.385 ( -3.935 -1.366 -0.713) 4.226 10.587 ( 2.622 3.095 -6.257) 7.457 11.157 ( -13.734 -2.042 6.303) 15.248 11.377 ( -9.331 11.053 -4.290) 15.088 11.448 ( -3.285 -4.306 0.455) 5.435 12.364 ( -0.997 -9.696 8.913) 13.208 12.796 ( -5.899 3.477 13.446) 15.090 13.416 ( -2.315 -4.746 -0.933) 5.362 13.687 ( -4.840 6.511 10.319) 13.127 13.879 ( -2.081 0.648 3.013) 3.719 14.258 ( 2.568 7.228 -1.222) 7.767 15.087 ( 23.438 -0.809 -9.607) 25.344 15.757 ( -3.515 13.251 -4.287) 14.364 16.233 ( -1.157 1.118 1.981) 2.552 16.471 ( 1.515 1.361 -1.692) 2.648 17.746 ( -2.762 -1.261 7.271) 7.879 18.572 ( 1.377 -3.197 1.607) 3.834 19.298 ( -3.075 2.304 -5.672) 6.851 19.784 ( -0.218 -7.737 -3.109) 8.341 ======================= Grid point 93 (38/230) ======================= q-point: ( 0.33 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 13.390 19.189 10.329) 25.577 2.224 ( 4.325 7.972 27.537) 28.992 2.668 ( -6.641 -3.649 4.933) 9.042 3.094 ( -11.164 16.019 6.329) 20.526 3.348 ( 13.167 -0.261 10.009) 16.541 3.530 ( 8.204 -1.367 -4.348) 9.385 3.627 ( 11.346 -3.974 -5.510) 13.225 4.413 ( -6.168 -7.263 0.148) 9.530 4.521 ( 3.238 -4.933 -4.778) 7.592 4.594 ( 4.310 0.662 -0.780) 4.430 5.220 ( -8.602 9.516 0.115) 12.828 5.413 ( 0.105 2.518 -9.196) 9.535 5.517 ( -0.888 -0.681 -0.976) 1.485 5.747 ( -3.948 -10.181 -3.586) 11.493 6.191 ( -7.174 -0.667 8.820) 11.389 6.369 ( 2.497 -0.720 -2.995) 3.965 6.667 ( -2.510 2.959 0.858) 3.974 6.901 ( 5.612 7.262 -11.160) 14.449 7.382 ( -1.543 -0.385 -2.861) 3.274 7.562 ( 3.067 -5.115 9.142) 10.915 8.002 ( -4.879 -9.352 1.222) 10.619 8.222 ( 0.018 -6.481 4.146) 7.694 8.318 ( -12.335 -1.196 -8.270) 14.899 8.580 ( -2.104 7.582 -5.587) 9.650 8.883 ( 3.607 0.700 4.297) 5.654 9.189 ( 4.655 -1.519 10.990) 12.031 9.331 ( 4.162 2.299 -0.432) 4.774 9.562 ( 11.642 -0.818 -10.854) 15.938 10.103 ( -3.571 0.901 3.893) 5.359 10.319 ( -3.740 -2.299 3.180) 5.420 10.609 ( 3.322 3.601 -4.750) 6.824 10.895 ( -14.752 -0.663 7.251) 16.451 11.291 ( 0.023 9.822 -3.918) 10.575 11.368 ( -4.683 -4.105 -0.027) 6.228 12.401 ( -1.064 -9.464 6.648) 11.615 12.783 ( -3.797 4.977 8.672) 10.695 13.362 ( -2.389 -6.086 -0.066) 6.539 13.679 ( -3.435 6.412 8.613) 11.274 13.911 ( 2.968 4.355 1.335) 5.437 14.252 ( -1.088 6.357 -2.811) 7.035 15.427 ( 18.334 0.491 -7.755) 19.912 15.733 ( 1.235 7.654 0.637) 7.779 16.213 ( -2.812 0.980 3.076) 4.281 16.476 ( 0.361 0.794 -1.457) 1.698 17.718 ( -4.023 -0.417 4.108) 5.765 18.601 ( 0.736 -1.465 1.495) 2.219 19.212 ( -1.474 3.091 -5.879) 6.804 19.747 ( -1.122 -7.571 -3.732) 8.515 ======================= Grid point 94 (39/230) ======================= q-point: ( 0.44 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( -1.849 9.307 6.502) 11.503 2.366 ( -1.677 6.763 14.682) 16.251 2.672 ( 0.979 2.875 12.885) 13.238 2.913 ( -11.817 16.888 7.671) 21.993 3.429 ( -0.158 -0.577 -3.456) 3.507 3.700 ( 6.286 -3.391 -2.311) 7.507 3.786 ( 5.247 -4.931 -4.924) 8.723 4.300 ( -3.025 -2.544 -1.721) 4.310 4.519 ( 0.167 -6.314 -3.338) 7.145 4.709 ( 7.816 3.965 -6.496) 10.909 5.074 ( -6.290 3.974 -1.114) 7.524 5.330 ( -3.139 4.001 -2.393) 5.620 5.506 ( 0.147 1.649 -3.417) 3.797 5.663 ( 0.529 -6.346 -8.466) 10.594 6.078 ( -8.262 -5.385 6.579) 11.855 6.416 ( 2.428 -2.138 1.171) 3.440 6.678 ( 1.211 5.365 3.566) 6.554 6.916 ( 4.753 7.041 -14.059) 16.426 7.310 ( -1.231 -2.479 -3.283) 4.294 7.654 ( -4.595 -11.338 8.553) 14.927 7.959 ( -1.646 -3.819 -11.423) 12.156 8.073 ( -0.506 1.364 0.311) 1.488 8.256 ( -0.093 -5.657 5.882) 8.162 8.544 ( 1.114 8.504 -1.519) 8.710 8.954 ( -0.626 0.534 3.056) 3.165 9.245 ( -5.100 1.400 -3.222) 6.193 9.373 ( 2.665 -0.142 3.445) 4.358 9.712 ( 12.161 -3.214 -8.970) 15.450 10.127 ( 0.437 0.305 10.244) 10.258 10.286 ( -3.742 -2.392 7.618) 8.818 10.637 ( 0.565 2.537 -0.090) 2.600 10.742 ( -4.503 -0.274 4.512) 6.380 11.236 ( -3.094 -1.064 -6.295) 7.095 11.333 ( 1.027 6.189 3.008) 6.957 12.405 ( -2.534 -9.340 4.489) 10.668 12.759 ( -3.740 5.984 5.115) 8.715 13.333 ( -0.726 -6.829 0.194) 6.870 13.660 ( -3.792 5.651 6.005) 9.076 13.968 ( 1.226 7.603 -0.048) 7.701 14.231 ( 1.305 4.481 0.620) 4.708 15.680 ( 12.246 0.959 -5.422) 13.427 15.773 ( 1.190 5.608 2.579) 6.286 16.168 ( -4.343 0.894 4.669) 6.439 16.477 ( 0.781 0.924 -0.472) 1.299 17.655 ( -3.784 0.307 -0.116) 3.798 18.622 ( 0.144 -2.074 1.925) 2.833 19.168 ( 1.082 3.985 -5.948) 7.241 19.692 ( -1.213 -6.995 -5.935) 9.253 ======================= Grid point 95 (40/230) ======================= q-point: (-0.44 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -15.832 1.464 3.715) 16.328 2.358 ( -13.439 17.848 13.697) 26.206 2.757 ( -4.065 3.096 12.869) 13.846 2.849 ( 4.219 10.417 3.705) 11.834 3.302 ( -10.856 1.112 -9.468) 14.447 3.673 ( -5.688 -5.822 -3.634) 8.913 3.795 ( 0.553 -1.945 -4.074) 4.549 4.277 ( 1.133 -1.829 -2.854) 3.575 4.487 ( -0.583 -6.098 -5.569) 8.279 4.692 ( -5.279 1.432 -7.783) 9.513 4.996 ( 2.010 6.910 -3.233) 7.889 5.366 ( 7.541 1.415 -0.768) 7.711 5.476 ( 0.946 4.073 -3.168) 5.246 5.691 ( 8.631 -1.319 -8.750) 12.362 5.986 ( -5.624 -9.856 4.904) 12.362 6.460 ( 0.814 -1.056 1.492) 2.002 6.733 ( 0.600 1.640 6.098) 6.343 6.898 ( 4.344 8.248 -16.266) 18.748 7.304 ( 0.807 -3.366 -1.985) 3.990 7.495 ( -8.569 -5.125 -3.353) 10.532 7.904 ( 2.210 -8.204 0.461) 8.508 8.174 ( 2.798 2.237 3.194) 4.800 8.324 ( 3.962 -5.282 3.957) 7.698 8.582 ( 2.613 6.798 -2.189) 7.605 8.883 ( -5.209 2.368 -2.923) 6.426 9.012 ( -10.818 2.537 -12.733) 16.899 9.488 ( 3.038 -1.056 12.580) 12.985 9.921 ( 12.743 -3.593 -1.378) 13.312 10.197 ( -1.485 -2.569 8.360) 8.871 10.261 ( -5.615 -0.667 10.769) 12.163 10.638 ( -0.057 -1.007 3.263) 3.416 10.781 ( 3.988 2.861 4.254) 6.495 11.140 ( -0.742 -2.958 -8.800) 9.313 11.401 ( 2.957 7.224 3.719) 8.646 12.368 ( -3.759 -8.712 2.974) 9.943 12.709 ( -4.233 6.850 2.809) 8.528 13.337 ( 1.043 -6.300 0.068) 6.386 13.614 ( -4.353 5.135 3.665) 7.665 13.953 ( -1.646 3.650 -0.065) 4.004 14.312 ( 3.878 6.290 4.576) 8.692 15.744 ( -2.141 3.096 0.159) 3.768 15.863 ( 5.161 3.004 1.572) 6.175 16.127 ( -2.887 0.435 5.327) 6.075 16.507 ( 1.955 2.511 1.395) 3.475 17.584 ( -2.081 0.216 -3.085) 3.728 18.628 ( -0.926 -4.033 1.329) 4.346 19.171 ( 3.596 4.850 -6.755) 9.060 19.620 ( -1.137 -5.806 -8.437) 10.305 ======================= Grid point 96 (41/230) ======================= q-point: (-0.33 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -20.009 3.557 5.915) 21.166 2.063 ( -25.024 20.059 12.687) 34.489 2.711 ( -8.356 0.330 8.007) 11.578 2.796 ( -26.440 2.804 -13.885) 29.996 3.054 ( 7.257 9.822 2.049) 12.383 3.532 ( -6.377 -5.594 -2.764) 8.922 3.750 ( -1.700 4.285 -1.632) 4.890 4.268 ( -0.138 -4.655 -7.030) 8.433 4.448 ( 2.142 -6.390 -8.580) 10.911 4.524 ( -4.877 -1.862 -4.948) 7.193 5.079 ( 8.099 10.888 -5.122) 14.504 5.460 ( 5.476 0.018 -2.631) 6.076 5.598 ( 9.256 1.712 -0.315) 9.418 5.875 ( 9.205 2.510 3.103) 10.033 5.930 ( 1.627 -13.298 -0.992) 13.434 6.451 ( -1.754 2.748 -1.640) 3.649 6.775 ( -0.110 -3.992 3.609) 5.383 6.877 ( 4.931 7.941 -13.873) 16.728 7.201 ( -7.250 -0.714 -0.260) 7.289 7.500 ( 8.201 -2.610 -2.170) 8.876 7.971 ( 1.989 -9.183 3.980) 10.204 8.205 ( -1.510 -0.193 4.638) 4.882 8.374 ( -1.390 -0.819 -4.973) 5.228 8.503 ( -7.119 5.530 -10.605) 13.919 8.770 ( -4.126 2.358 -6.267) 7.865 8.845 ( 4.418 2.056 -2.730) 5.585 9.610 ( -3.067 -0.837 16.410) 16.715 10.057 ( -10.734 -1.385 12.637) 16.638 10.212 ( 8.179 -4.662 -0.970) 9.464 10.277 ( 3.052 -1.668 6.232) 7.137 10.692 ( 2.378 -1.882 5.216) 6.034 10.915 ( 5.039 1.565 6.529) 8.394 11.113 ( 5.046 -2.691 -9.831) 11.373 11.487 ( 3.722 6.986 3.523) 8.664 12.313 ( -3.992 -7.137 3.486) 8.890 12.641 ( -4.308 7.726 2.256) 9.129 13.371 ( 2.632 -4.604 -1.018) 5.400 13.551 ( -4.133 4.417 3.079) 6.787 13.929 ( -1.493 -1.404 2.145) 2.967 14.385 ( -0.727 6.651 4.847) 8.262 15.671 ( -5.553 1.569 1.212) 5.897 15.958 ( 2.114 3.140 10.641) 11.294 16.141 ( 1.088 0.117 2.619) 2.839 16.564 ( 1.968 6.181 4.278) 7.770 17.544 ( 0.346 -0.564 -3.370) 3.434 18.590 ( -3.406 -8.331 -2.154) 9.254 19.204 ( 5.521 6.707 -10.325) 13.493 19.538 ( -0.965 -3.096 -9.227) 9.781 ======================= Grid point 97 (42/230) ======================= q-point: (-0.22 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -21.818 9.095 11.765) 26.403 1.562 ( -33.674 12.476 0.828) 35.920 2.129 ( -34.184 20.653 7.081) 40.562 2.564 ( -9.774 -1.824 2.823) 10.335 3.210 ( 5.826 3.268 -4.623) 8.124 3.428 ( -1.851 2.844 2.935) 4.487 3.736 ( 1.696 4.775 -4.116) 6.528 4.173 ( -2.447 -3.148 -9.224) 10.049 4.353 ( -2.758 -0.288 -11.508) 11.838 4.547 ( 5.278 -10.860 -0.634) 12.091 5.198 ( 7.838 9.027 -6.413) 13.566 5.589 ( 8.367 -1.829 -0.824) 8.604 5.713 ( 0.676 3.106 2.094) 3.807 5.893 ( 2.796 -15.475 -1.027) 15.759 6.189 ( 11.745 -2.037 3.800) 12.511 6.414 ( 1.307 5.740 -0.105) 5.888 6.737 ( -1.718 1.146 -8.450) 8.698 6.943 ( 7.233 3.621 -2.397) 8.437 7.098 ( -4.789 0.329 2.164) 5.265 7.673 ( 10.266 -1.474 -1.987) 10.560 8.016 ( -0.174 -8.243 3.668) 9.024 8.172 ( -4.556 1.477 -0.185) 4.793 8.264 ( -1.086 3.213 -6.415) 7.257 8.282 ( -5.439 4.846 -9.762) 12.181 8.762 ( 2.413 0.799 0.305) 2.560 8.944 ( 6.610 0.269 -2.419) 7.044 9.521 ( -15.163 -0.352 9.837) 18.078 9.810 ( -19.490 -0.298 7.821) 21.003 10.405 ( 8.983 -5.771 4.445) 11.565 10.444 ( 8.804 -2.772 0.445) 9.241 10.799 ( 3.488 -2.846 10.412) 11.344 10.999 ( -0.994 -5.853 4.911) 7.705 11.204 ( 8.664 -3.883 -5.569) 11.007 11.633 ( 10.224 9.250 5.629) 14.892 12.273 ( -3.580 -4.299 7.311) 9.206 12.596 ( -1.973 8.550 4.796) 9.999 13.389 ( 0.136 1.464 -4.328) 4.571 13.543 ( 1.459 -0.077 6.032) 6.207 13.921 ( -1.472 -4.300 3.251) 5.588 14.331 ( -7.485 5.131 3.209) 9.626 15.545 ( -10.865 -6.576 6.404) 14.223 16.134 ( 7.069 1.689 7.616) 10.527 16.192 ( 2.956 -0.783 5.886) 6.633 16.686 ( 7.138 14.929 16.599) 23.438 17.553 ( 2.106 -1.427 -1.194) 2.810 18.416 ( -11.324 -16.597 -14.484) 24.769 19.229 ( 7.105 14.481 -17.927) 24.115 19.477 ( -0.067 0.492 -4.505) 4.533 ======================= Grid point 98 (43/230) ======================= q-point: (-0.11 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -32.064 10.923 2.156) 33.942 0.985 ( -17.676 17.970 19.138) 31.649 1.688 ( -25.675 36.400 30.364) 53.908 2.451 ( -3.338 -4.334 9.418) 10.892 3.188 ( -1.213 -1.356 -4.915) 5.241 3.538 ( 8.605 11.522 1.335) 14.443 3.733 ( 2.138 4.378 -7.324) 8.797 4.091 ( -1.579 -2.052 -6.714) 7.195 4.207 ( -4.428 5.011 -8.395) 10.733 4.642 ( 4.266 -12.638 0.233) 13.340 5.285 ( 6.390 4.317 -7.930) 11.062 5.669 ( -3.380 -1.766 2.562) 4.594 5.737 ( 4.330 -0.862 0.574) 4.452 5.972 ( 5.544 -10.131 -4.415) 12.364 6.298 ( 3.906 -0.830 -4.725) 6.186 6.530 ( -0.089 -3.684 7.227) 8.112 6.631 ( -1.840 1.466 -9.731) 10.011 7.026 ( 0.486 3.687 1.363) 3.961 7.109 ( 6.544 4.787 3.081) 8.673 7.820 ( 5.181 0.823 -2.557) 5.836 8.025 ( -0.429 -5.678 1.618) 5.919 8.132 ( 4.820 2.206 -4.050) 6.671 8.195 ( 1.229 3.932 -1.320) 4.326 8.295 ( 5.518 3.219 -1.025) 6.470 8.817 ( 2.703 0.848 1.333) 3.131 9.049 ( 5.286 -1.078 -1.487) 5.596 9.223 ( -18.708 1.277 4.336) 19.247 9.459 ( -20.274 -0.206 3.372) 20.554 10.543 ( 3.674 -4.630 -1.795) 6.177 10.559 ( 3.959 -2.691 -3.850) 6.143 10.853 ( -5.574 0.142 -3.584) 6.629 11.045 ( 0.656 -13.854 21.620) 25.686 11.326 ( 7.054 -7.403 -2.696) 10.575 11.918 ( 10.328 2.274 2.890) 10.963 12.306 ( -0.253 -5.008 13.287) 14.202 12.723 ( 12.437 3.362 15.247) 19.962 13.341 ( -1.918 4.443 -2.769) 5.576 13.686 ( 9.441 0.468 5.953) 11.171 13.909 ( -2.167 -3.025 2.743) 4.622 14.181 ( -8.438 4.034 1.853) 9.534 15.295 ( -25.046 -22.480 14.081) 36.482 16.196 ( 1.171 0.866 -0.200) 1.470 16.336 ( 4.720 -2.374 -0.624) 5.320 17.278 ( 32.643 5.048 39.000) 51.108 17.595 ( 1.015 -2.563 0.661) 2.835 17.827 ( -32.462 -9.757 -34.931) 48.674 19.287 ( 14.578 27.433 -18.674) 36.246 19.472 ( 0.905 1.686 -1.014) 2.166 ======================= Grid point 99 (44/230) ======================= q-point: ( 0.00 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 16.055 19.050 22.273) 33.417 1.490 ( 3.678 30.947 11.295) 33.149 2.291 ( -7.450 32.005 20.610) 38.789 2.398 ( 1.961 -4.692 14.752) 15.604 3.144 ( 1.139 -0.550 -2.965) 3.223 3.644 ( -2.237 3.009 -9.511) 10.223 3.928 ( 2.543 -0.582 2.707) 3.760 4.105 ( 8.408 3.504 -3.857) 9.892 4.218 ( 2.787 -3.026 -0.455) 4.139 4.435 ( -6.744 -6.197 4.416) 10.168 5.263 ( 2.812 -8.465 -4.505) 9.993 5.634 ( -0.844 -0.443 1.675) 1.927 5.716 ( 0.806 -1.100 -1.883) 2.325 6.012 ( 1.275 3.308 -0.946) 3.669 6.247 ( -2.593 -4.812 -4.957) 7.380 6.384 ( -1.216 -5.362 -9.687) 11.139 6.517 ( -1.131 -0.767 3.030) 3.324 7.122 ( 5.421 1.709 4.317) 7.137 7.424 ( 1.899 12.792 -2.377) 13.148 7.804 ( -4.994 -6.907 -1.643) 8.680 7.902 ( 3.556 -2.809 0.401) 4.549 8.098 ( -3.108 -3.699 -4.853) 6.848 8.465 ( 11.543 2.712 5.510) 13.075 8.530 ( 7.801 4.919 0.963) 9.273 8.913 ( 3.152 1.385 -2.284) 4.131 8.977 ( -9.666 2.369 3.368) 10.506 9.097 ( -14.013 -1.374 0.576) 14.092 9.162 ( 5.258 -0.087 -1.126) 5.378 10.451 ( -2.443 -1.360 -0.664) 2.874 10.528 ( -0.032 -1.266 -4.244) 4.429 10.740 ( -5.707 3.578 -2.241) 7.099 11.082 ( 3.117 -4.802 17.735) 18.636 11.294 ( 5.806 -7.596 -2.679) 9.929 11.996 ( -2.752 1.328 -0.238) 3.065 12.227 ( -5.301 -4.655 6.279) 9.444 12.758 ( 0.681 -10.455 3.929) 11.190 13.423 ( 0.805 6.127 2.036) 6.507 13.894 ( -4.288 2.907 -0.008) 5.181 14.083 ( 13.721 1.488 3.950) 14.356 14.180 ( 10.662 1.610 1.700) 10.916 14.484 ( -31.019 -4.375 12.207) 33.621 16.229 ( 0.342 1.180 0.141) 1.237 16.428 ( 3.846 1.829 -2.091) 4.744 16.974 ( -23.579 11.056 -25.496) 36.445 17.632 ( 0.633 -3.078 6.228) 6.976 17.940 ( 18.473 -8.945 16.298) 26.208 19.498 ( -0.511 3.043 -3.709) 4.824 19.692 ( 5.788 1.224 -8.914) 10.699 ======================= Grid point 100 (45/230) ======================= q-point: ( 0.11 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 10.846 28.414 12.115) 32.737 1.767 ( 22.040 16.095 22.176) 35.165 2.406 ( 4.716 24.961 26.233) 36.517 2.579 ( 5.076 -5.866 13.325) 15.419 3.172 ( 4.203 -3.203 -3.717) 6.461 3.539 ( -1.800 2.486 -7.837) 8.417 3.881 ( -7.589 6.884 -2.997) 10.675 4.222 ( 8.129 -0.819 -2.813) 8.641 4.330 ( -4.855 -16.804 3.742) 17.888 4.378 ( 7.274 3.550 6.772) 10.554 5.298 ( 3.445 -8.358 -4.184) 9.961 5.609 ( -2.920 2.050 0.938) 3.689 5.696 ( -1.682 1.292 -1.286) 2.480 5.941 ( -7.296 0.397 -2.890) 7.857 6.138 ( -2.047 -3.488 -3.685) 5.471 6.367 ( 3.595 -4.293 -6.220) 8.369 6.585 ( 5.173 0.643 3.213) 6.124 7.241 ( 2.024 4.303 4.968) 6.877 7.333 ( -7.038 11.236 -5.501) 14.354 7.687 ( -5.473 -4.273 -2.455) 7.365 7.950 ( 0.645 -3.821 1.857) 4.297 8.035 ( -1.778 -8.677 0.015) 8.857 8.571 ( -6.802 -2.639 4.146) 8.392 8.664 ( 3.389 2.309 5.956) 7.232 8.868 ( 3.501 -0.303 -6.375) 7.280 8.906 ( -3.347 1.177 6.784) 7.655 9.076 ( 9.356 3.220 -2.285) 10.156 9.293 ( 9.620 1.104 -7.041) 11.973 10.352 ( -6.624 0.515 -0.758) 6.687 10.463 ( -4.532 -0.061 -1.693) 4.838 10.657 ( 0.382 3.104 -6.536) 7.246 11.199 ( -1.320 -2.830 9.142) 9.660 11.363 ( 0.023 -6.946 4.536) 8.296 11.826 ( -13.005 4.507 -2.718) 14.029 12.169 ( -3.616 -6.958 6.492) 10.180 12.770 ( -1.462 -6.619 5.417) 8.677 13.464 ( 0.328 5.822 1.787) 6.099 13.810 ( -4.015 3.017 3.907) 6.363 14.054 ( -19.082 2.636 12.477) 22.951 14.256 ( 6.187 2.606 4.306) 7.976 14.623 ( 27.216 -1.249 -6.749) 28.068 16.221 ( -2.099 3.189 -1.675) 4.169 16.384 ( -13.044 8.363 -4.588) 16.160 16.522 ( -0.055 9.677 -12.983) 16.193 17.685 ( -0.452 -2.681 7.933) 8.386 18.305 ( 10.555 -9.839 9.109) 17.065 19.439 ( -2.330 2.891 -5.175) 6.369 19.686 ( -0.380 -3.855 -5.745) 6.929 ======================= Grid point 101 (46/230) ======================= q-point: ( 0.22 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 13.667 26.175 7.491) 30.464 2.203 ( 7.774 19.032 24.808) 32.220 2.656 ( 0.365 -3.790 8.915) 9.694 2.890 ( 20.301 10.008 18.257) 29.080 3.257 ( 7.057 -7.167 -2.658) 10.403 3.481 ( -0.293 2.241 -3.254) 3.962 3.676 ( -9.315 9.057 -3.654) 13.496 4.270 ( -3.744 -16.341 3.343) 17.095 4.359 ( 5.722 -3.357 0.600) 6.661 4.559 ( 7.529 6.669 2.330) 10.324 5.325 ( 3.094 -9.018 -6.267) 11.410 5.526 ( -6.401 3.659 -0.385) 7.383 5.638 ( -3.449 4.925 -1.313) 6.154 5.760 ( -7.580 -0.421 -1.516) 7.742 6.146 ( 2.391 -4.657 1.565) 5.463 6.380 ( -0.366 -1.367 -3.266) 3.560 6.701 ( 2.401 0.243 4.445) 5.057 7.104 ( -5.935 10.247 -6.187) 13.361 7.349 ( 4.036 3.267 2.328) 5.690 7.543 ( -7.941 -3.405 -1.962) 8.860 7.923 ( -5.331 -7.383 2.106) 9.347 8.033 ( 0.963 -9.848 1.445) 10.000 8.429 ( -6.903 -6.990 -1.005) 9.875 8.717 ( 0.610 3.354 -1.027) 3.561 8.907 ( 0.479 3.571 -1.281) 3.824 8.965 ( 6.243 -2.003 4.542) 7.976 9.264 ( 9.306 3.944 0.191) 10.109 9.428 ( 10.180 1.260 -8.743) 13.478 10.216 ( -6.995 1.204 0.916) 7.157 10.356 ( -5.555 -1.484 0.502) 5.771 10.653 ( 3.487 3.546 -6.820) 8.441 11.124 ( -12.968 -1.481 8.062) 15.341 11.339 ( -4.624 -6.620 2.707) 8.517 11.590 ( -6.773 10.415 -3.020) 12.785 12.180 ( -0.558 -9.260 6.553) 11.358 12.789 ( -0.376 -3.467 4.689) 5.844 13.429 ( -4.499 5.308 1.631) 7.147 13.807 ( -3.122 5.765 11.092) 12.885 13.906 ( -2.741 1.739 4.933) 5.905 14.373 ( 3.311 4.707 0.582) 5.784 15.072 ( 24.323 -0.720 -7.806) 25.555 16.032 ( -7.671 13.669 -7.792) 17.504 16.261 ( -1.826 1.856 1.681) 3.099 16.509 ( 1.084 2.578 -4.048) 4.920 17.716 ( -1.730 -1.721 7.083) 7.491 18.490 ( 4.647 -5.109 4.688) 8.347 19.352 ( -2.420 3.177 -5.693) 6.954 19.630 ( -1.894 -7.440 -3.332) 8.369 ======================= Grid point 102 (47/230) ======================= q-point: ( 0.33 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 6.707 19.444 4.833) 21.129 2.444 ( 1.710 15.165 20.196) 25.314 2.665 ( 0.337 3.486 3.049) 4.644 3.318 ( 10.402 1.385 2.818) 10.866 3.393 ( 1.224 3.663 10.333) 11.031 3.477 ( 0.832 -0.488 4.216) 4.325 3.564 ( 6.459 -0.114 -8.914) 11.009 4.229 ( -2.393 -9.611 2.323) 10.173 4.420 ( 0.918 -4.195 -1.605) 4.584 4.695 ( 6.346 7.212 -0.925) 9.651 5.327 ( -2.363 -4.962 -5.217) 7.578 5.376 ( -2.087 -1.246 -6.040) 6.510 5.546 ( -5.127 5.878 -1.161) 7.886 5.668 ( -2.907 1.782 1.623) 3.776 6.205 ( -3.058 -0.347 8.580) 9.115 6.276 ( -5.038 -5.958 -2.719) 8.262 6.732 ( 0.329 2.396 2.400) 3.407 7.051 ( 4.189 7.819 -10.755) 13.941 7.369 ( -6.233 -1.689 -3.852) 7.520 7.453 ( 0.280 -4.067 8.194) 9.152 7.849 ( -0.599 -7.159 0.379) 7.194 8.049 ( -0.511 -10.682 -0.606) 10.712 8.278 ( -7.696 -3.045 -2.458) 8.633 8.701 ( 0.313 5.048 -4.609) 6.843 8.913 ( 2.105 2.207 -0.327) 3.067 9.151 ( 7.962 -2.314 5.775) 10.104 9.391 ( 4.033 3.858 -2.146) 5.980 9.551 ( 8.565 -0.152 -9.796) 13.013 10.121 ( -4.172 0.827 4.310) 6.055 10.273 ( -4.806 -2.451 4.936) 7.313 10.685 ( 4.034 4.047 -5.578) 7.985 10.882 ( -15.490 -0.390 8.405) 17.628 11.249 ( -5.050 -7.208 -1.165) 8.878 11.517 ( -0.949 11.858 -0.407) 11.902 12.214 ( -0.614 -9.927 5.567) 11.398 12.806 ( -0.619 -2.300 2.572) 3.505 13.354 ( -4.167 4.959 2.529) 6.953 13.800 ( -4.710 6.245 10.430) 13.038 13.981 ( 5.450 2.567 3.550) 6.992 14.377 ( -1.674 6.085 -2.718) 6.871 15.440 ( 19.323 0.858 -7.126) 20.613 15.919 ( -1.057 10.962 -2.914) 11.392 16.236 ( -2.834 1.276 2.862) 4.225 16.496 ( 0.023 1.110 -2.046) 2.328 17.711 ( -2.668 -0.256 3.807) 4.656 18.568 ( 1.266 -1.933 2.580) 3.464 19.282 ( -0.786 3.761 -5.463) 6.679 19.574 ( -1.615 -9.582 -3.199) 10.231 ======================= Grid point 103 (48/230) ======================= q-point: ( 0.44 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( -9.618 7.047 -1.202) 11.984 2.590 ( 1.874 11.671 12.698) 17.348 2.794 ( 7.372 11.193 5.027) 14.315 3.263 ( -13.836 17.333 9.518) 24.134 3.425 ( 1.623 1.084 -2.609) 3.258 3.612 ( 7.556 -7.386 0.059) 10.567 3.675 ( 0.877 -3.638 -2.193) 4.338 4.222 ( 1.315 -5.373 -1.638) 5.769 4.410 ( 0.203 -4.832 -1.483) 5.059 4.776 ( 2.662 2.035 -3.693) 4.986 5.171 ( -5.280 7.016 -3.814) 9.574 5.405 ( 5.370 -6.019 -9.486) 12.452 5.453 ( -1.257 2.671 -0.566) 3.005 5.629 ( -2.276 3.909 -0.157) 4.526 6.052 ( -11.480 0.766 7.440) 13.701 6.302 ( 2.254 -8.282 1.832) 8.776 6.760 ( 0.386 2.163 1.808) 2.845 7.060 ( 5.127 6.049 -13.184) 15.385 7.254 ( -2.762 -2.783 -2.869) 4.859 7.453 ( -4.758 -7.685 6.167) 10.942 7.858 ( -1.444 -6.571 -9.802) 11.889 8.055 ( 5.533 -4.250 4.416) 8.258 8.169 ( -3.567 -2.612 3.600) 5.701 8.684 ( 1.398 5.964 -4.063) 7.351 8.972 ( 1.437 1.374 2.658) 3.319 9.276 ( -1.839 1.493 1.596) 2.856 9.387 ( 2.210 2.020 -6.391) 7.058 9.643 ( 10.166 -3.547 -10.467) 15.016 10.120 ( -1.134 -1.059 7.886) 8.037 10.248 ( -3.677 -1.528 11.426) 12.100 10.670 ( -7.125 0.473 3.720) 8.051 10.761 ( 2.213 2.692 1.457) 3.777 11.139 ( -4.013 -7.018 -4.961) 9.485 11.525 ( 0.803 11.152 2.372) 11.429 12.223 ( -1.782 -9.697 3.896) 10.601 12.798 ( -1.337 -1.788 0.405) 2.269 13.313 ( -1.934 4.773 2.789) 5.856 13.771 ( -4.795 5.846 7.456) 10.618 14.083 ( 0.775 3.880 1.510) 4.235 14.334 ( 1.125 5.793 -0.333) 5.910 15.708 ( 12.871 1.874 -5.769) 14.229 15.911 ( 0.553 8.336 -0.474) 8.368 16.188 ( -4.477 0.979 3.992) 6.077 16.501 ( 1.548 1.562 0.810) 2.344 17.665 ( -3.187 0.854 -0.447) 3.330 18.583 ( -0.812 -1.772 0.817) 2.114 19.253 ( 1.478 4.275 -5.017) 6.755 19.525 ( -0.912 -9.629 -4.071) 10.494 ======================= Grid point 104 (49/230) ======================= q-point: (-0.44 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( -11.439 7.617 -3.728) 14.240 2.661 ( -4.482 8.679 12.091) 15.544 2.881 ( -6.162 12.051 1.063) 13.577 3.050 ( -6.994 8.589 0.746) 11.101 3.382 ( -6.452 8.726 -1.406) 10.943 3.539 ( -7.890 -7.904 -3.109) 11.593 3.748 ( 5.661 -1.969 -0.322) 6.002 4.220 ( -0.623 -4.041 -2.575) 4.832 4.382 ( -2.492 -4.992 -1.945) 5.909 4.712 ( -5.440 1.206 -5.789) 8.035 5.160 ( 6.618 9.806 -3.914) 12.461 5.399 ( 2.491 0.173 -4.527) 5.170 5.559 ( 4.596 3.176 -2.750) 6.227 5.601 ( 6.456 -3.181 -2.432) 7.597 5.922 ( -6.718 1.042 5.973) 9.049 6.359 ( 2.442 -8.273 3.121) 9.173 6.744 ( -3.339 -0.796 0.494) 3.468 7.069 ( 5.278 7.418 -14.821) 17.394 7.225 ( 0.394 -4.178 -1.583) 4.485 7.376 ( -3.702 -5.771 -0.183) 6.859 7.782 ( 0.657 -4.899 -1.886) 5.291 8.147 ( -2.150 -5.175 4.500) 7.187 8.244 ( 7.992 -2.482 4.319) 9.417 8.695 ( 1.762 4.734 -4.503) 6.767 8.944 ( -4.140 3.805 -2.294) 6.073 9.081 ( -10.514 4.572 -10.677) 15.666 9.480 ( 5.517 0.590 6.064) 8.220 9.830 ( 13.474 -5.604 -3.311) 14.964 10.136 ( -3.200 -3.201 6.617) 8.017 10.256 ( -5.529 -0.061 13.999) 15.051 10.608 ( -1.205 -1.922 3.101) 3.842 10.854 ( 4.868 4.478 3.941) 7.699 11.044 ( -0.554 -6.494 -8.564) 10.762 11.567 ( 1.282 9.034 3.116) 9.642 12.205 ( -2.195 -8.371 3.132) 9.204 12.761 ( -2.112 -1.380 -1.149) 2.772 13.318 ( 0.549 4.683 2.515) 5.344 13.716 ( -5.252 5.395 4.883) 8.974 14.022 ( -4.967 3.040 -1.086) 5.924 14.424 ( 4.109 4.808 4.388) 7.698 15.808 ( -0.568 3.260 -2.160) 3.952 15.948 ( 4.023 5.500 -0.135) 6.816 16.135 ( -2.876 0.356 3.717) 4.714 16.573 ( 3.867 4.114 4.457) 7.193 17.592 ( -2.663 0.643 -3.551) 4.485 18.545 ( -2.921 -4.290 -2.287) 5.671 19.269 ( 3.726 4.700 -4.883) 7.735 19.487 ( 0.181 -7.254 -4.564) 8.573 ======================= Grid point 105 (50/230) ======================= q-point: (-0.33 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -11.296 12.674 -2.579) 17.173 2.423 ( -27.202 15.769 1.461) 31.476 2.688 ( -9.946 -2.795 4.307) 11.193 2.891 ( -12.500 5.648 -10.153) 17.066 3.245 ( -2.216 6.946 0.486) 7.307 3.464 ( -0.805 1.350 3.159) 3.528 3.809 ( 1.514 1.502 -1.267) 2.481 4.175 ( -2.427 -3.217 -1.486) 4.295 4.346 ( 1.687 -3.448 -1.972) 4.315 4.531 ( -7.824 1.879 -7.955) 11.315 5.275 ( 6.419 7.675 -6.358) 11.855 5.449 ( 5.420 -1.472 -2.814) 6.281 5.593 ( 4.566 -1.259 -0.526) 4.766 5.746 ( -1.161 -3.655 6.565) 7.603 5.953 ( 11.142 4.046 -1.502) 11.949 6.451 ( 4.755 -3.201 2.264) 6.163 6.654 ( -4.750 -6.267 0.400) 7.873 7.051 ( 3.903 7.737 -15.056) 17.372 7.175 ( -3.756 -1.553 -0.867) 4.156 7.428 ( 8.730 -4.822 -1.479) 10.082 7.827 ( 2.317 -5.377 2.427) 6.338 8.143 ( -1.648 -5.788 5.241) 7.981 8.365 ( 2.227 -0.292 0.166) 2.253 8.606 ( -6.707 5.062 -10.882) 13.749 8.842 ( -5.768 4.915 -6.595) 10.046 8.887 ( 2.155 2.137 -3.728) 4.807 9.613 ( -0.900 1.522 12.511) 12.635 10.011 ( -6.715 -3.558 10.806) 13.210 10.120 ( 7.371 -4.567 -2.007) 8.901 10.245 ( -0.328 -1.398 6.837) 6.986 10.649 ( 2.604 -2.385 3.140) 4.725 10.963 ( 2.956 1.987 0.521) 3.599 11.032 ( 5.154 -4.120 -5.164) 8.379 11.619 ( 2.805 5.962 2.557) 7.068 12.194 ( -1.374 -5.442 4.288) 7.063 12.706 ( -2.414 -1.077 -1.692) 3.138 13.370 ( 3.474 5.004 1.571) 6.291 13.641 ( -5.440 4.756 3.463) 8.013 13.931 ( -3.941 1.021 0.949) 4.181 14.479 ( -2.254 3.113 4.075) 5.601 15.697 ( -11.045 1.012 3.532) 11.640 16.032 ( 5.052 4.160 1.565) 6.729 16.149 ( 2.278 0.725 0.186) 2.398 16.705 ( 5.448 7.807 8.785) 12.954 17.531 ( -0.788 -0.745 -3.815) 3.966 18.423 ( -6.716 -8.419 -7.861) 13.333 19.329 ( 6.214 5.620 -5.547) 10.048 19.475 ( 1.530 -2.959 -3.828) 5.075 ======================= Grid point 106 (51/230) ======================= q-point: (-0.22 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -10.060 20.371 1.566) 22.774 1.776 ( -34.292 10.846 -9.314) 37.153 2.499 ( -12.042 -4.368 2.777) 13.107 2.586 ( -15.780 21.537 7.654) 27.775 3.215 ( -0.933 -1.036 -4.157) 4.384 3.542 ( 5.365 7.514 4.933) 10.468 3.820 ( 2.127 2.950 -4.184) 5.544 4.100 ( -2.700 -3.638 -5.693) 7.275 4.338 ( -5.870 -1.480 -6.299) 8.737 4.417 ( 3.624 -0.819 2.895) 4.710 5.294 ( 1.663 -2.228 -8.138) 8.600 5.562 ( 6.896 -0.803 -1.626) 7.130 5.658 ( -1.860 -4.024 6.496) 7.865 5.788 ( 6.861 2.121 -2.012) 7.458 6.174 ( 9.539 0.474 1.300) 9.639 6.471 ( -2.966 0.698 -0.011) 3.047 6.657 ( 1.126 -7.615 2.154) 7.994 7.049 ( 3.405 1.966 -8.598) 9.455 7.130 ( 3.879 6.086 -3.866) 8.187 7.620 ( 11.411 -4.324 -1.740) 12.326 7.871 ( 0.756 -6.082 1.198) 6.245 8.160 ( -0.350 -3.606 5.775) 6.818 8.339 ( -1.700 5.100 -7.482) 9.213 8.388 ( -5.135 5.980 -8.936) 11.916 8.793 ( 1.562 2.540 -0.430) 3.013 8.938 ( 4.461 -1.019 -2.351) 5.145 9.539 ( -13.985 2.458 8.914) 16.765 9.794 ( -18.641 -1.491 7.967) 20.327 10.295 ( 7.640 -4.566 4.812) 10.118 10.381 ( 9.349 -3.644 -0.684) 10.057 10.739 ( 2.926 -2.910 8.183) 9.164 10.975 ( -1.010 0.801 -2.615) 2.915 11.110 ( 5.449 -4.978 -4.624) 8.710 11.748 ( 8.890 3.529 3.540) 10.199 12.211 ( -0.755 -2.598 6.178) 6.744 12.660 ( -0.981 -1.543 -0.713) 1.962 13.465 ( 5.201 6.809 -2.581) 8.949 13.575 ( -2.892 3.019 6.626) 7.834 13.891 ( -1.434 0.239 2.597) 2.976 14.389 ( -8.866 1.304 2.444) 9.288 15.434 ( -20.753 -4.699 8.420) 22.884 16.176 ( 7.185 2.448 -0.693) 7.622 16.198 ( 4.362 1.074 -0.736) 4.552 16.932 ( 10.825 10.219 15.972) 21.833 17.517 ( 1.125 -2.228 -1.356) 2.841 18.158 ( -13.241 -10.509 -15.711) 23.078 19.435 ( 9.347 7.362 -7.024) 13.817 19.490 ( 2.113 0.962 -2.535) 3.437 ======================= Grid point 107 (52/230) ======================= q-point: (-0.11 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -21.763 18.151 0.569) 28.344 1.442 ( -5.188 27.609 7.469) 29.068 2.332 ( -6.129 -5.198 4.196) 9.066 2.398 ( -13.721 31.766 19.899) 39.916 3.166 ( -0.990 -0.531 -3.467) 3.645 3.679 ( 4.621 4.019 -0.496) 6.145 3.843 ( 4.257 6.660 -4.698) 9.195 4.026 ( 0.357 -4.832 -3.959) 6.257 4.234 ( -1.895 -5.524 -2.876) 6.510 4.481 ( -0.197 0.086 3.087) 3.095 5.263 ( 1.059 -7.399 -6.540) 9.932 5.630 ( 0.224 -4.962 1.323) 5.141 5.687 ( 2.580 1.856 0.472) 3.214 5.924 ( 7.462 1.624 -1.430) 7.770 6.284 ( 2.965 0.029 -6.411) 7.064 6.441 ( -2.421 -5.119 6.493) 8.616 6.600 ( -4.959 -4.043 -4.380) 7.754 7.034 ( 1.287 -0.718 -0.647) 1.609 7.304 ( 11.601 11.915 -2.924) 16.884 7.802 ( 7.809 -3.606 -1.304) 8.700 7.871 ( -1.528 -7.274 0.451) 7.447 8.205 ( -2.564 -0.956 -8.124) 8.573 8.238 ( 6.041 4.885 2.341) 8.114 8.387 ( 6.059 6.641 -2.421) 9.310 8.843 ( 3.152 1.908 0.508) 3.720 9.021 ( 4.832 -1.878 0.271) 5.191 9.264 ( -16.992 2.699 3.155) 17.492 9.451 ( -20.902 -0.635 4.862) 21.469 10.437 ( 3.526 -4.245 2.329) 5.990 10.511 ( 5.036 -2.711 -3.463) 6.686 10.877 ( -6.435 0.154 7.946) 10.226 10.889 ( 3.083 -2.089 8.564) 9.338 11.195 ( 7.493 -6.999 -6.755) 12.278 11.947 ( 7.139 1.122 2.229) 7.563 12.240 ( -1.345 -2.624 7.235) 7.813 12.683 ( 3.177 -5.375 1.828) 6.506 13.444 ( -2.858 5.569 -0.720) 6.301 13.736 ( 13.314 4.542 4.891) 14.894 13.908 ( 0.972 1.662 2.032) 2.799 14.215 ( -9.277 0.189 2.099) 9.513 15.014 ( -30.048 -8.802 11.486) 33.351 16.216 ( 1.002 1.163 -0.185) 1.546 16.338 ( 7.544 1.520 -3.361) 8.397 17.336 ( 14.453 1.724 13.898) 20.125 17.540 ( 0.824 -2.873 1.733) 3.455 17.723 ( -15.441 -3.185 -15.766) 22.296 19.509 ( 1.448 2.833 -2.781) 4.226 19.582 ( 10.841 6.774 -8.384) 15.288 ======================= Grid point 108 (53/230) ======================= q-point: ( 0.00 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 11.523 18.240 18.558) 28.458 2.037 ( 4.681 23.156 7.718) 24.853 2.178 ( 3.969 -9.715 11.740) 15.747 2.878 ( -0.756 18.907 3.393) 19.224 3.152 ( 0.322 1.302 -2.851) 3.150 3.692 ( -3.744 1.817 -9.141) 10.044 3.860 ( 0.353 -4.761 3.762) 6.078 3.985 ( -3.412 -9.046 1.638) 9.805 4.228 ( 11.374 4.307 7.770) 14.432 4.457 ( -9.090 2.145 -0.191) 9.341 5.118 ( 0.452 -5.439 6.272) 8.314 5.559 ( 3.862 -3.982 -5.275) 7.655 5.761 ( -0.313 2.181 1.634) 2.743 6.063 ( 0.067 1.694 0.168) 1.704 6.148 ( -0.775 -5.067 -4.736) 6.979 6.282 ( -5.322 -4.708 -8.424) 11.021 6.517 ( 1.524 0.711 3.122) 3.546 7.152 ( 8.119 1.213 2.653) 8.627 7.642 ( 4.492 8.914 -4.367) 10.895 7.699 ( -4.193 -1.418 -1.764) 4.764 7.857 ( 3.878 -2.861 -1.271) 4.983 7.994 ( -5.408 -6.936 -6.345) 10.845 8.519 ( 10.425 2.837 2.153) 11.017 8.625 ( 3.861 4.576 3.483) 6.927 8.926 ( -6.787 -0.422 -5.704) 8.875 8.999 ( -0.221 -0.144 -1.373) 1.398 9.096 ( -9.946 1.739 5.470) 11.484 9.155 ( 1.258 -0.704 2.036) 2.494 10.438 ( -0.731 -0.395 -3.956) 4.042 10.514 ( 2.000 -0.094 -2.358) 3.094 10.806 ( -6.114 2.990 -2.666) 7.309 11.014 ( 3.600 -2.329 18.887) 19.368 11.158 ( 6.037 -6.234 -4.466) 9.760 12.023 ( -2.819 1.345 1.366) 3.409 12.162 ( -4.880 -2.432 2.561) 6.024 12.611 ( 1.711 -5.250 1.634) 5.759 13.524 ( 0.948 4.060 3.805) 5.645 13.949 ( -5.166 2.524 -1.020) 5.840 14.107 ( 8.552 0.977 5.603) 10.271 14.189 ( 16.500 -0.421 -2.126) 16.641 14.440 ( -25.816 -0.881 10.145) 27.752 16.248 ( 0.459 0.795 0.347) 0.981 16.459 ( 3.085 1.342 -1.454) 3.665 17.113 ( -15.580 4.468 -19.968) 25.718 17.569 ( 0.977 -3.131 6.998) 7.729 17.833 ( 13.919 -3.105 11.853) 18.544 19.560 ( -0.548 3.406 -4.087) 5.348 19.683 ( 1.713 -1.720 -6.248) 6.703 ======================= Grid point 109 (54/230) ======================= q-point: ( 0.11 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 21.093 12.452 21.003) 32.266 2.224 ( 7.786 21.087 11.264) 25.143 2.415 ( 9.788 -4.874 14.702) 18.323 2.888 ( -1.078 17.476 9.140) 19.752 3.143 ( 1.453 0.202 -5.490) 5.683 3.559 ( -2.322 -0.759 -10.201) 10.489 3.896 ( 1.531 -6.774 0.218) 6.948 3.995 ( -2.512 -8.835 6.236) 11.102 4.257 ( -5.845 -0.124 -2.698) 6.438 4.498 ( 10.497 6.771 7.462) 14.551 5.183 ( 0.495 -2.676 7.627) 8.098 5.594 ( 2.364 -1.326 -3.425) 4.368 5.752 ( -1.446 2.416 -0.008) 2.816 5.930 ( -7.869 -2.269 -3.849) 9.049 6.073 ( -4.245 -3.168 -5.357) 7.533 6.279 ( 6.194 -3.814 -2.349) 7.644 6.594 ( 3.489 0.370 5.306) 6.361 7.312 ( 5.357 3.313 3.644) 7.277 7.532 ( -8.838 7.422 -6.145) 13.075 7.647 ( -2.731 2.851 -2.745) 4.808 7.849 ( -4.576 -10.164 -2.236) 11.368 7.896 ( -0.609 -3.179 -0.789) 3.331 8.505 ( -12.184 -3.448 -2.251) 12.861 8.704 ( 5.162 1.396 3.114) 6.188 8.871 ( 2.753 1.181 -2.017) 3.612 8.928 ( -2.776 0.263 4.613) 5.391 9.137 ( 9.995 2.946 0.152) 10.421 9.308 ( 10.058 0.507 -5.798) 11.620 10.349 ( -5.001 -0.689 -3.381) 6.076 10.479 ( -5.457 1.417 -0.260) 5.644 10.709 ( 0.293 2.160 -6.739) 7.083 11.151 ( -0.116 -1.815 7.004) 7.236 11.237 ( -0.488 -5.717 10.958) 12.370 11.893 ( -9.538 2.451 0.030) 9.848 12.073 ( -4.293 -3.281 0.502) 5.427 12.663 ( 1.997 -4.178 2.771) 5.397 13.577 ( 0.194 4.984 3.865) 6.310 13.856 ( -2.995 1.622 1.992) 3.946 14.096 ( -17.004 1.652 11.192) 20.423 14.293 ( 7.758 1.453 5.042) 9.365 14.603 ( 26.139 -0.829 -5.793) 26.786 16.256 ( -0.152 1.157 0.541) 1.286 16.452 ( -4.830 1.545 0.553) 5.101 16.719 ( -8.783 7.844 -19.300) 22.609 17.634 ( 0.278 -2.315 8.367) 8.686 18.160 ( 11.665 -5.245 9.746) 16.080 19.496 ( -2.472 2.941 -5.381) 6.612 19.627 ( -2.732 -2.549 -5.822) 6.918 ======================= Grid point 110 (55/230) ======================= q-point: ( 0.22 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 6.922 17.648 14.302) 23.747 2.516 ( 15.868 8.978 13.972) 22.970 2.647 ( 2.851 8.026 10.014) 13.146 3.049 ( 10.533 2.963 14.401) 18.086 3.134 ( 3.257 -4.020 -8.000) 9.527 3.474 ( -0.030 -1.711 -8.109) 8.287 3.802 ( -10.839 2.971 0.369) 11.245 4.003 ( 5.958 -10.779 -1.607) 12.420 4.295 ( 4.395 -2.983 3.874) 6.575 4.715 ( 7.096 8.173 5.327) 12.063 5.213 ( -2.136 -1.352 5.441) 5.999 5.574 ( -3.272 2.780 -3.261) 5.392 5.702 ( -2.438 0.598 -3.716) 4.484 5.761 ( -5.536 -1.035 -1.690) 5.880 6.030 ( 1.043 -6.287 0.301) 6.380 6.348 ( 0.658 -1.471 -0.294) 1.638 6.698 ( 1.732 -0.498 7.416) 7.632 7.301 ( -7.485 10.307 -3.652) 13.251 7.420 ( 2.908 4.209 -1.167) 5.247 7.507 ( -8.655 0.011 -2.463) 8.998 7.757 ( -5.721 -11.111 1.966) 12.651 7.864 ( -0.477 -6.869 -3.312) 7.641 8.314 ( -5.295 -4.570 -2.804) 7.536 8.765 ( 1.926 1.701 -1.862) 3.173 8.935 ( 7.103 -1.048 -0.903) 7.236 8.962 ( 0.561 2.004 -0.437) 2.126 9.338 ( 9.180 3.483 1.467) 9.928 9.446 ( 9.302 0.604 -7.503) 11.966 10.229 ( -6.062 0.054 0.336) 6.072 10.339 ( -7.906 -0.206 1.089) 7.983 10.710 ( 3.871 2.236 -7.002) 8.307 11.105 ( -9.690 -0.296 6.394) 11.614 11.217 ( -7.735 -5.728 7.416) 12.151 11.753 ( -4.231 6.686 0.846) 7.958 12.026 ( -1.269 -6.691 1.756) 7.033 12.717 ( 1.668 -3.186 2.213) 4.223 13.552 ( -4.465 6.226 2.645) 8.105 13.877 ( 2.052 1.174 5.355) 5.854 13.945 ( -7.210 2.435 10.602) 13.050 14.441 ( 4.325 2.535 1.938) 5.375 15.061 ( 25.285 -0.435 -6.785) 26.183 16.221 ( -4.593 5.590 -3.068) 7.859 16.303 ( -5.044 2.558 -0.924) 5.730 16.562 ( -0.666 2.665 -8.487) 8.920 17.687 ( -0.354 -1.147 7.098) 7.199 18.398 ( 7.285 -4.008 7.000) 10.869 19.409 ( -2.363 2.714 -5.468) 6.546 19.521 ( -4.147 -4.088 -4.697) 7.481 ======================= Grid point 111 (56/230) ======================= q-point: ( 0.33 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( -6.427 9.441 5.717) 12.772 2.701 ( -3.027 7.998 13.536) 16.011 2.851 ( 14.527 16.601 -0.774) 22.073 3.223 ( 11.390 -8.378 -0.378) 14.145 3.369 ( 8.682 -2.341 9.016) 12.733 3.445 ( 1.401 -3.721 -3.007) 4.985 3.669 ( -2.228 4.554 1.806) 5.382 4.116 ( 5.436 -2.325 -1.536) 6.109 4.362 ( -0.095 -1.723 1.559) 2.325 4.803 ( -0.935 3.005 1.122) 3.340 5.214 ( 1.389 -1.077 1.942) 2.619 5.438 ( -5.743 5.206 -5.244) 9.358 5.619 ( -3.435 0.624 -2.917) 4.549 5.720 ( -0.959 1.612 2.338) 2.997 6.074 ( 2.102 -8.455 0.511) 8.727 6.263 ( -10.861 0.584 5.662) 12.262 6.751 ( 0.536 -0.010 4.001) 4.037 7.177 ( -2.514 5.278 -7.841) 9.781 7.320 ( -7.328 -1.492 -1.921) 7.721 7.464 ( -0.287 3.813 1.002) 3.952 7.718 ( 2.399 -6.584 1.205) 7.110 7.836 ( -0.196 -11.116 -2.338) 11.361 8.226 ( -3.648 -1.972 -1.544) 4.425 8.773 ( 1.631 2.557 -4.969) 5.821 8.952 ( 1.418 1.557 -3.443) 4.036 9.111 ( 10.643 -1.583 -0.021) 10.760 9.468 ( 3.960 3.887 -2.301) 6.007 9.553 ( 6.264 0.044 -7.428) 9.716 10.133 ( -4.966 0.445 3.816) 6.279 10.230 ( -5.392 -1.880 5.979) 8.267 10.750 ( 4.595 2.470 -5.325) 7.455 10.889 ( -16.342 1.179 9.538) 18.959 11.111 ( -5.425 -6.674 -0.332) 8.607 11.717 ( -1.039 9.175 1.288) 9.323 12.035 ( -0.356 -8.796 3.473) 9.463 12.749 ( 0.570 -2.691 0.521) 2.800 13.481 ( -4.279 6.579 2.975) 8.393 13.901 ( -5.046 3.977 10.709) 12.488 14.002 ( 5.774 -0.110 4.802) 7.511 14.469 ( -1.056 3.497 -1.865) 4.102 15.456 ( 20.367 0.737 -6.451) 21.377 16.109 ( -2.308 8.341 -4.459) 9.736 16.252 ( -2.878 0.108 1.802) 3.397 16.514 ( -0.360 0.720 -2.669) 2.788 17.711 ( -1.170 0.166 3.583) 3.773 18.533 ( 2.791 -1.605 4.139) 5.243 19.336 ( -1.194 1.348 -6.003) 6.267 19.426 ( -2.690 -4.961 -2.714) 6.263 ======================= Grid point 112 (57/230) ======================= q-point: ( 0.44 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( -9.308 7.360 -4.451) 12.674 2.710 ( -3.712 2.294 8.336) 9.409 3.060 ( 8.143 13.234 -1.649) 15.626 3.393 ( -2.751 0.239 -5.801) 6.424 3.433 ( 0.766 -6.129 6.039) 8.638 3.548 ( 8.349 2.693 7.326) 11.429 3.710 ( 0.408 6.258 0.894) 6.335 4.131 ( -2.383 -2.896 -0.733) 3.821 4.340 ( -1.814 -2.655 -0.071) 3.217 4.760 ( 0.419 -2.992 -4.123) 5.111 5.275 ( 1.152 -2.808 -1.396) 3.341 5.357 ( 3.328 11.101 -3.406) 12.079 5.540 ( -2.328 2.716 -1.755) 3.984 5.710 ( -2.031 3.288 1.467) 4.133 6.042 ( -8.708 -2.615 3.498) 9.742 6.138 ( -2.308 -7.873 5.076) 9.647 6.775 ( -0.412 -0.001 0.980) 1.064 7.088 ( -0.661 -1.719 -5.966) 6.244 7.218 ( -1.518 -1.005 -4.142) 4.524 7.432 ( -1.951 4.568 -3.533) 6.096 7.720 ( -0.628 -7.794 -6.441) 10.130 7.938 ( 6.391 -6.242 9.983) 13.396 8.149 ( -2.206 -0.260 -1.309) 2.578 8.767 ( 1.552 2.833 -5.362) 6.260 9.000 ( 3.438 1.318 1.043) 3.827 9.294 ( 4.820 0.388 1.991) 5.230 9.443 ( 0.036 3.284 -10.620) 11.116 9.590 ( 5.986 -1.935 -10.723) 12.432 10.098 ( -2.862 -0.949 6.871) 7.503 10.223 ( -2.321 -1.108 12.316) 12.582 10.672 ( -11.671 0.143 8.225) 14.279 10.820 ( 5.050 2.750 -0.877) 5.817 11.007 ( -3.647 -6.102 -4.429) 8.376 11.718 ( -0.428 9.057 2.323) 9.360 12.045 ( -0.822 -8.894 2.979) 9.415 12.746 ( -0.539 -2.525 -1.426) 2.950 13.441 ( -2.042 6.627 3.140) 7.612 13.866 ( -5.277 3.821 7.887) 10.230 14.117 ( 0.702 0.141 3.813) 3.880 14.429 ( 0.549 3.775 -1.627) 4.147 15.742 ( 13.467 1.525 -5.475) 14.617 16.061 ( -0.638 6.823 -3.495) 7.693 16.196 ( -4.363 -0.398 2.247) 4.923 16.532 ( 2.612 1.436 2.778) 4.075 17.685 ( -2.564 1.027 -0.815) 2.880 18.559 ( -1.598 -0.733 0.197) 1.770 19.291 ( 1.200 -2.015 -6.421) 6.835 19.388 ( -0.215 -2.367 -0.483) 2.426 ======================= Grid point 113 (58/230) ======================= q-point: (-0.44 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( -6.536 9.775 -7.286) 13.833 2.681 ( -3.056 -3.998 2.025) 5.424 3.115 ( -5.216 9.325 -6.051) 12.279 3.163 ( -14.737 4.255 -1.461) 15.408 3.396 ( -7.176 -6.450 0.708) 9.674 3.602 ( -5.930 11.632 4.906) 13.947 3.751 ( 5.444 2.283 0.817) 5.959 4.131 ( 4.137 -5.067 -3.153) 7.262 4.299 ( -2.197 -3.590 1.356) 4.422 4.739 ( -2.407 1.379 -5.362) 6.036 5.297 ( 4.164 0.978 -2.020) 4.730 5.421 ( 1.519 8.444 1.185) 8.661 5.575 ( 6.869 0.700 0.461) 6.920 5.658 ( -2.806 3.493 -1.741) 4.807 5.932 ( -2.724 -0.413 2.406) 3.657 6.169 ( 2.262 -11.157 4.228) 12.143 6.728 ( -4.406 -0.442 -1.720) 4.751 7.093 ( 4.644 -2.830 -5.740) 7.908 7.186 ( 1.273 -0.881 -5.144) 5.372 7.342 ( -1.949 1.769 -8.612) 9.005 7.713 ( 1.821 -2.364 2.099) 3.649 8.025 ( -2.328 -6.344 4.172) 7.942 8.215 ( 6.969 -0.983 4.276) 8.235 8.759 ( 1.093 2.103 -5.856) 6.317 9.012 ( -3.175 2.949 -1.619) 4.626 9.168 ( -9.993 4.010 -8.725) 13.859 9.516 ( 8.350 3.032 0.367) 8.891 9.720 ( 12.875 -5.743 -4.635) 14.840 10.088 ( -3.858 -1.712 6.788) 7.993 10.254 ( -5.128 -0.168 13.908) 14.825 10.575 ( -2.475 -1.327 3.944) 4.842 10.920 ( 0.306 -4.094 -6.706) 7.863 10.935 ( 4.752 1.899 2.700) 5.786 11.716 ( -1.453 6.460 1.493) 6.788 12.058 ( 0.313 -6.837 3.558) 7.714 12.711 ( -1.468 -2.644 -2.993) 4.255 13.446 ( 0.482 6.741 3.023) 7.403 13.804 ( -5.794 3.536 5.193) 8.546 14.057 ( -6.177 0.707 0.054) 6.218 14.490 ( 3.135 2.280 2.762) 4.760 15.860 ( -0.408 2.081 -1.584) 2.647 16.047 ( 2.629 4.412 -3.741) 6.354 16.136 ( -2.079 -0.416 1.745) 2.746 16.648 ( 5.635 3.306 6.978) 9.559 17.607 ( -3.398 0.805 -4.145) 5.420 18.476 ( -5.348 -2.778 -4.931) 7.787 19.305 ( 4.461 -1.950 -5.351) 7.234 19.404 ( 1.752 -0.098 0.596) 1.853 ======================= Grid point 114 (59/230) ======================= q-point: (-0.33 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( -3.780 14.402 -6.836) 16.384 2.575 ( -14.458 -5.400 -7.544) 17.179 2.669 ( -20.594 7.429 -1.808) 21.967 2.932 ( -11.343 -2.282 -8.702) 14.477 3.275 ( -4.840 -0.161 3.276) 5.847 3.606 ( 1.224 8.926 5.027) 10.317 3.812 ( 1.752 -0.867 -2.191) 2.937 4.179 ( 0.431 2.622 -1.360) 2.985 4.314 ( 2.747 -0.231 4.980) 5.693 4.575 ( -8.276 2.268 -9.132) 12.531 5.283 ( -5.932 -2.116 3.332) 7.126 5.520 ( 5.342 6.944 -1.114) 8.832 5.613 ( 0.613 1.839 0.586) 2.025 5.695 ( 3.951 -3.025 2.098) 5.400 6.018 ( 10.583 3.139 -3.079) 11.460 6.305 ( 8.070 -10.784 6.936) 15.150 6.600 ( -6.667 -0.274 -2.284) 7.053 7.106 ( 1.762 -0.294 -10.848) 10.994 7.196 ( 2.782 2.851 -6.348) 7.495 7.337 ( 8.012 -4.316 -4.187) 10.018 7.781 ( 2.309 0.684 2.967) 3.821 8.009 ( -1.092 -7.724 3.755) 8.657 8.360 ( 4.206 -0.206 4.735) 6.337 8.684 ( -4.725 2.855 -9.815) 11.261 8.916 ( -3.110 1.709 -4.959) 6.097 8.943 ( -5.187 4.177 -5.876) 8.881 9.669 ( 1.580 4.123 8.625) 9.690 9.924 ( -0.177 -5.343 7.409) 9.137 10.053 ( 4.338 -2.346 -1.995) 5.320 10.228 ( -3.075 -0.431 7.832) 8.425 10.609 ( 2.916 -1.667 1.965) 3.891 10.899 ( 4.200 -4.854 -9.152) 11.179 11.056 ( 2.834 2.975 5.399) 6.785 11.701 ( 0.437 2.748 0.670) 2.862 12.108 ( 1.525 -3.456 5.138) 6.378 12.654 ( -1.901 -2.949 -3.684) 5.088 13.502 ( 3.534 6.949 2.381) 8.152 13.718 ( -6.091 3.120 3.274) 7.587 13.946 ( -4.937 0.236 0.923) 5.028 14.514 ( -3.365 0.939 2.635) 4.376 15.710 ( -15.275 0.395 4.998) 16.077 16.099 ( 6.092 2.615 -4.420) 7.969 16.164 ( 3.204 0.745 -0.468) 3.322 16.830 ( 7.391 4.893 9.953) 13.328 17.519 ( -2.221 -0.461 -4.444) 4.989 18.292 ( -8.579 -5.103 -9.935) 14.083 19.384 ( 7.097 -0.058 -4.522) 8.416 19.458 ( 3.203 1.511 0.918) 3.658 ======================= Grid point 115 (60/230) ======================= q-point: (-0.22 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( -4.154 17.817 -3.395) 18.607 1.992 ( -26.327 13.120 -10.189) 31.130 2.370 ( -14.984 -8.558 -2.359) 17.416 2.806 ( 0.357 0.177 -0.712) 0.816 3.217 ( -3.024 1.317 0.869) 3.411 3.683 ( 2.781 6.591 3.774) 8.088 3.826 ( 3.017 -1.770 -2.039) 4.049 4.116 ( -5.847 5.639 -1.204) 8.212 4.332 ( -9.154 0.830 -8.176) 12.302 4.450 ( 4.217 2.379 7.744) 9.133 5.176 ( -6.708 -6.023 3.637) 9.721 5.534 ( 1.070 -1.571 -4.743) 5.109 5.684 ( 2.908 2.039 2.916) 4.596 5.805 ( 7.311 -0.036 -1.686) 7.503 6.210 ( 8.839 3.501 1.872) 9.689 6.452 ( -5.564 -3.577 -0.216) 6.618 6.499 ( 2.593 -6.989 5.021) 8.988 7.045 ( 0.810 -0.444 -12.035) 12.070 7.270 ( 11.249 6.953 -6.370) 14.678 7.525 ( 12.119 -5.100 -2.603) 13.404 7.811 ( 0.125 -0.101 -0.887) 0.901 8.049 ( 1.805 -7.253 4.786) 8.875 8.432 ( 1.449 3.784 0.098) 4.054 8.492 ( -5.525 4.663 -9.214) 11.711 8.850 ( 0.397 2.821 -1.156) 3.074 8.912 ( 1.826 -1.278 -2.122) 3.078 9.606 ( -13.613 4.208 7.351) 16.033 9.753 ( -17.072 -2.887 7.800) 18.990 10.244 ( 9.733 -1.083 0.736) 9.820 10.316 ( 8.745 -2.992 -0.370) 9.251 10.694 ( 3.424 -1.742 5.375) 6.607 10.946 ( 6.368 -3.670 -8.833) 11.491 11.076 ( -3.163 1.169 2.334) 4.101 11.790 ( 7.469 1.200 2.980) 8.131 12.169 ( 0.686 -1.742 5.569) 5.876 12.599 ( -1.170 -3.413 -2.946) 4.658 13.600 ( 1.269 5.428 -2.835) 6.254 13.640 ( 0.409 4.005 6.658) 7.780 13.898 ( -1.064 0.005 2.552) 2.764 14.398 ( -9.485 0.027 1.206) 9.561 15.369 ( -24.318 -2.286 7.439) 25.533 16.211 ( 2.496 1.085 -0.786) 2.832 16.227 ( 9.019 1.665 -4.070) 10.034 17.071 ( 10.144 4.723 12.342) 16.660 17.477 ( 0.020 -1.782 -1.451) 2.298 18.013 ( -11.983 -4.942 -13.961) 19.051 19.500 ( 7.190 0.788 -4.290) 8.409 19.535 ( 4.743 2.823 -0.097) 5.521 ======================= Grid point 116 (61/230) ======================= q-point: (-0.11 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -15.112 18.206 1.482) 23.707 1.947 ( 1.229 23.098 2.235) 23.238 2.150 ( -6.989 -10.887 3.839) 13.495 2.846 ( 1.986 9.740 1.996) 10.139 3.174 ( -1.095 1.378 -1.589) 2.371 3.732 ( 1.406 2.068 0.183) 2.507 3.948 ( -3.721 -1.066 2.499) 4.607 3.960 ( 4.921 5.077 -4.010) 8.128 4.127 ( -8.250 -2.944 0.175) 8.761 4.540 ( -0.867 2.899 4.753) 5.634 5.105 ( -3.076 -6.989 4.220) 8.724 5.532 ( 2.598 -4.342 -5.519) 7.487 5.741 ( 1.413 1.645 1.456) 2.612 5.943 ( 7.917 0.036 -0.673) 7.945 6.283 ( -4.462 -0.978 -6.029) 7.564 6.370 ( -0.409 -1.455 4.198) 4.462 6.512 ( -2.387 -4.237 0.290) 4.872 7.024 ( 4.565 -0.217 -5.018) 6.787 7.497 ( 13.167 8.007 -3.984) 15.917 7.710 ( 6.518 -3.438 -1.022) 7.440 7.798 ( 1.245 -1.950 -3.185) 3.936 8.095 ( -0.326 -7.549 -1.598) 7.723 8.375 ( 2.314 6.678 -4.134) 8.188 8.505 ( 5.095 4.897 -0.203) 7.070 8.886 ( 3.116 2.312 -0.431) 3.904 8.981 ( 5.531 -2.120 2.278) 6.346 9.308 ( -18.447 1.601 -0.306) 18.519 9.440 ( -20.335 -0.406 7.882) 21.812 10.399 ( 5.841 -0.116 0.058) 5.843 10.460 ( 6.033 -2.554 -2.807) 7.127 10.824 ( 3.803 -2.093 13.337) 14.026 10.938 ( -4.850 2.902 -2.155) 6.049 11.070 ( 6.000 -5.700 -6.076) 10.267 11.966 ( 6.621 0.911 3.141) 7.385 12.198 ( -1.665 -1.818 4.855) 5.445 12.581 ( 0.775 -4.422 -0.745) 4.550 13.530 ( -3.395 3.256 1.355) 4.895 13.831 ( 12.824 4.802 1.734) 13.803 13.939 ( 3.131 1.059 2.318) 4.038 14.205 ( -10.200 -0.908 1.190) 10.310 14.908 ( -28.522 -3.173 8.653) 29.974 16.236 ( 0.862 0.780 -0.169) 1.175 16.371 ( 7.703 1.537 -3.429) 8.570 17.357 ( 7.934 0.590 5.651) 9.759 17.493 ( 1.228 -1.943 3.208) 3.946 17.680 ( -9.510 -1.435 -10.043) 13.905 19.565 ( 2.418 3.008 -2.621) 4.665 19.639 ( 6.411 0.271 -4.600) 7.895 ======================= Grid point 117 (62/230) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 10.267 -0.000 17.413) 20.214 1.962 ( 4.258 0.000 10.145) 11.002 2.339 ( 2.969 0.000 12.142) 12.500 3.007 ( 10.970 0.000 -14.124) 17.884 3.171 ( -0.229 -0.000 -2.133) 2.145 3.713 ( -11.211 0.000 -5.501) 12.488 3.823 ( 4.308 0.000 5.015) 6.611 3.900 ( -10.961 0.000 3.957) 11.653 4.276 ( 12.517 0.000 9.080) 15.464 4.474 ( -9.855 0.000 0.089) 9.856 5.066 ( 0.143 0.000 12.140) 12.141 5.521 ( 5.415 0.000 -6.855) 8.736 5.778 ( -0.024 0.000 2.132) 2.133 6.074 ( -7.124 -0.000 -1.765) 7.339 6.095 ( 6.985 -0.000 -2.162) 7.312 6.232 ( -7.372 0.000 -8.217) 11.039 6.527 ( 2.012 0.000 2.551) 3.249 7.164 ( 9.265 0.000 1.951) 9.468 7.698 ( -0.187 -0.000 -3.715) 3.719 7.771 ( 2.632 -0.000 -5.874) 6.437 7.802 ( 4.407 0.000 -0.158) 4.410 7.898 ( -6.603 0.000 -5.082) 8.332 8.552 ( 9.336 0.000 -0.499) 9.349 8.674 ( 2.537 0.000 5.020) 5.625 8.913 ( -14.450 0.000 -7.356) 16.215 8.996 ( 6.737 -0.000 -1.709) 6.950 9.131 ( -17.123 0.000 7.116) 18.543 9.136 ( 8.689 -0.000 2.160) 8.953 10.433 ( -0.932 -0.000 -5.104) 5.188 10.516 ( 3.498 0.000 -2.102) 4.081 10.838 ( -6.759 0.000 -2.480) 7.199 10.994 ( 3.507 -0.000 20.816) 21.109 11.089 ( 6.599 0.000 -7.040) 9.649 12.038 ( -3.118 0.000 2.058) 3.736 12.136 ( -4.456 0.000 1.558) 4.721 12.561 ( 1.947 -0.000 1.475) 2.442 13.564 ( 1.180 0.000 4.470) 4.623 13.975 ( -6.412 0.000 -1.090) 6.504 14.117 ( 5.741 0.000 6.571) 8.725 14.181 ( 19.906 0.000 -4.294) 20.364 14.434 ( -23.958 0.000 9.706) 25.850 16.256 ( 0.507 -0.000 0.419) 0.657 16.473 ( 2.780 0.000 -1.284) 3.063 17.155 ( -13.405 -0.000 -18.250) 22.644 17.535 ( 1.258 0.000 7.205) 7.314 17.805 ( 12.342 -0.000 10.505) 16.207 19.609 ( -0.963 0.000 -4.631) 4.730 19.650 ( 1.303 -0.000 -5.135) 5.298 ======================= Grid point 119 (63/230) ======================= q-point: ( 0.11 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 11.466 -0.000 12.785) 17.173 2.264 ( 21.150 -0.000 19.635) 28.859 2.513 ( 3.856 -0.000 20.335) 20.698 3.051 ( 0.753 -0.000 -6.877) 6.918 3.149 ( 0.347 -0.000 -5.500) 5.511 3.529 ( -2.552 0.000 -8.813) 9.175 3.790 ( -0.787 0.000 0.489) 0.927 3.941 ( 0.232 -0.000 8.160) 8.163 4.253 ( -8.116 0.000 -3.754) 8.942 4.572 ( 11.375 0.000 8.895) 14.440 5.170 ( 0.085 0.000 14.431) 14.431 5.584 ( 5.069 0.000 -5.206) 7.266 5.776 ( -1.625 0.000 0.494) 1.698 5.888 ( -8.241 0.000 -4.881) 9.578 6.039 ( -6.035 0.000 -6.074) 8.562 6.243 ( 7.063 0.000 -0.602) 7.088 6.598 ( 2.742 0.000 5.564) 6.203 7.349 ( 7.400 0.000 2.759) 7.897 7.638 ( -3.803 -0.000 -0.743) 3.875 7.673 ( -6.526 0.000 -9.815) 11.786 7.741 ( -7.707 -0.000 -1.464) 7.845 7.842 ( -0.210 0.000 -1.303) 1.320 8.468 ( -14.116 0.000 -4.074) 14.692 8.715 ( 6.353 -0.000 0.063) 6.354 8.907 ( 5.268 0.000 3.843) 6.521 8.909 ( -5.766 -0.000 0.009) 5.766 9.169 ( 9.809 0.000 1.613) 9.940 9.313 ( 10.248 0.000 -5.408) 11.587 10.340 ( -4.787 0.000 -3.774) 6.096 10.496 ( -5.469 0.000 -0.601) 5.502 10.731 ( 0.003 0.000 -6.552) 6.552 11.137 ( 2.017 -0.000 -3.949) 4.435 11.174 ( -2.098 0.000 22.840) 22.936 11.917 ( -8.523 0.000 1.538) 8.661 12.043 ( -4.833 0.000 -1.685) 5.118 12.622 ( 2.675 -0.000 2.582) 3.718 13.628 ( 0.681 -0.000 4.847) 4.895 13.871 ( -3.166 0.000 0.939) 3.302 14.112 ( -15.953 -0.000 10.773) 19.250 14.308 ( 8.304 0.000 5.238) 9.817 14.595 ( 25.747 0.000 -5.568) 26.342 16.267 ( 0.089 0.000 0.837) 0.841 16.466 ( -3.799 0.000 0.718) 3.866 16.793 ( -9.284 0.000 -18.965) 21.115 17.610 ( 0.783 -0.000 8.625) 8.660 18.110 ( 11.479 -0.000 9.569) 14.944 19.533 ( -2.786 0.000 -5.550) 6.210 19.595 ( -2.981 -0.000 -5.751) 6.478 ======================= Grid point 121 (64/230) ======================= q-point: ( 0.22 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( 14.950 0.000 11.076) 18.606 2.638 ( 2.395 -0.000 16.621) 16.793 2.866 ( 17.404 -0.000 21.900) 27.973 2.992 ( -3.632 0.000 3.594) 5.110 3.104 ( 0.844 0.000 -9.957) 9.992 3.456 ( 1.344 0.000 -11.305) 11.385 3.820 ( -10.868 0.000 0.576) 10.884 3.890 ( 11.902 0.000 -5.798) 13.239 4.265 ( 4.502 0.000 5.365) 7.004 4.805 ( 5.925 0.000 7.767) 9.768 5.223 ( -4.357 -0.000 12.651) 13.380 5.630 ( 2.739 0.000 -5.919) 6.522 5.698 ( -7.118 -0.000 -6.497) 9.638 5.708 ( -3.028 0.000 -2.475) 3.911 5.966 ( -0.974 0.000 3.036) 3.188 6.333 ( 1.611 -0.000 0.097) 1.614 6.691 ( 1.220 0.000 8.313) 8.402 7.460 ( -0.342 -0.000 -14.159) 14.163 7.474 ( -3.533 -0.000 4.998) 6.121 7.531 ( -12.760 0.000 -0.066) 12.760 7.568 ( -3.247 0.000 5.018) 5.977 7.786 ( -1.948 0.000 -7.134) 7.396 8.270 ( -4.217 0.000 -3.042) 5.200 8.781 ( 2.518 0.000 -2.509) 3.554 8.925 ( 7.231 0.000 -2.979) 7.821 8.981 ( 0.704 -0.000 -0.310) 0.769 9.376 ( 9.292 0.000 2.605) 9.650 9.451 ( 8.871 0.000 -7.360) 11.526 10.227 ( -5.472 0.000 0.360) 5.484 10.340 ( -9.132 0.000 0.784) 9.166 10.732 ( 3.944 0.000 -6.952) 7.992 11.111 ( -2.525 -0.000 -1.522) 2.948 11.150 ( -14.635 0.000 16.436) 22.008 11.831 ( -2.170 0.000 5.688) 6.087 11.947 ( -2.932 -0.000 -3.374) 4.470 12.686 ( 2.082 0.000 2.031) 2.909 13.619 ( -4.007 -0.000 2.781) 4.878 13.880 ( 2.564 0.000 3.199) 4.100 13.973 ( -7.593 -0.000 12.467) 14.597 14.466 ( 4.664 0.000 2.328) 5.213 15.056 ( 25.747 0.000 -6.428) 26.537 16.265 ( -1.223 0.000 1.158) 1.684 16.335 ( -7.341 0.000 -3.036) 7.944 16.591 ( -2.032 0.000 -11.010) 11.196 17.676 ( 0.357 -0.000 7.185) 7.194 18.358 ( 8.077 0.000 7.689) 11.152 19.447 ( -2.244 0.000 -4.406) 4.945 19.472 ( -5.205 -0.000 -6.264) 8.144 ======================= Grid point 123 (65/230) ======================= q-point: ( 0.33 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( -9.184 0.000 6.807) 11.432 2.779 ( -0.900 0.000 6.128) 6.194 3.099 ( 3.886 -0.000 -1.284) 4.092 3.117 ( 17.270 0.000 5.435) 18.105 3.270 ( 9.921 -0.000 12.518) 15.972 3.422 ( 2.376 -0.000 -9.756) 10.041 3.701 ( -0.743 0.000 1.359) 1.548 4.096 ( 11.570 -0.000 -5.876) 12.976 4.351 ( -0.316 0.000 4.299) 4.311 4.826 ( -8.167 0.000 3.000) 8.700 5.230 ( -0.581 0.000 8.106) 8.127 5.552 ( -3.184 0.000 -5.838) 6.650 5.578 ( -1.248 0.000 -5.909) 6.039 5.707 ( 0.997 0.000 1.920) 2.163 5.989 ( -0.004 0.000 3.280) 3.280 6.265 ( -10.399 -0.000 4.806) 11.456 6.748 ( 0.402 0.000 5.159) 5.175 7.234 ( -9.882 0.000 -6.297) 11.718 7.319 ( -6.044 0.000 -5.559) 8.212 7.533 ( 1.732 -0.000 2.837) 3.324 7.639 ( 4.619 0.000 4.012) 6.118 7.693 ( -0.490 0.000 -6.554) 6.573 8.208 ( -2.198 0.000 -1.550) 2.690 8.798 ( 2.039 0.000 -5.282) 5.662 8.967 ( 1.374 -0.000 -4.429) 4.638 9.096 ( 11.582 0.000 -2.521) 11.853 9.515 ( 3.884 0.000 -2.074) 4.403 9.548 ( 5.578 -0.000 -6.262) 8.386 10.138 ( -5.238 0.000 3.796) 6.469 10.210 ( -5.684 -0.000 5.838) 8.148 10.773 ( 4.500 0.000 -4.717) 6.519 10.911 ( -17.879 -0.000 11.463) 21.238 11.033 ( -4.029 0.000 -1.895) 4.452 11.859 ( -0.846 0.000 6.483) 6.538 11.895 ( -0.495 -0.000 -1.802) 1.869 12.722 ( 0.791 0.000 0.375) 0.875 13.551 ( -4.115 -0.000 2.506) 4.818 13.940 ( -5.097 0.000 10.738) 11.886 13.996 ( 5.732 0.000 5.338) 7.833 14.503 ( -0.721 0.000 -1.571) 1.729 15.464 ( 20.814 0.000 -6.142) 21.701 16.212 ( -2.299 -0.000 -5.504) 5.965 16.233 ( -3.183 0.000 2.002) 3.760 16.521 ( -0.510 0.000 -2.887) 2.932 17.713 ( -0.496 0.000 3.515) 3.550 18.516 ( 3.721 0.000 4.920) 6.169 19.332 ( -4.253 0.000 -6.594) 7.847 19.396 ( -0.713 -0.000 -2.404) 2.507 ======================= Grid point 125 (66/230) ======================= q-point: ( 0.44 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( -8.552 0.000 -4.196) 9.526 2.720 ( -5.443 0.000 0.781) 5.499 3.187 ( 1.768 0.000 7.300) 7.511 3.380 ( 1.567 -0.000 -11.938) 12.040 3.401 ( -1.752 0.000 7.280) 7.488 3.557 ( 18.719 -0.000 4.969) 19.367 3.767 ( 3.929 0.000 -0.761) 4.002 4.122 ( -9.133 0.000 1.146) 9.204 4.311 ( -4.376 -0.000 1.007) 4.491 4.720 ( 2.895 0.000 -4.805) 5.610 5.262 ( -1.394 0.000 4.274) 4.496 5.519 ( 3.219 -0.000 -3.809) 4.987 5.546 ( 0.545 0.000 -1.747) 1.830 5.724 ( -0.940 0.000 1.488) 1.760 5.995 ( -0.276 0.000 0.542) 0.608 6.059 ( -13.711 -0.000 7.879) 15.814 6.773 ( -0.752 0.000 1.699) 1.858 7.064 ( -3.320 0.000 -3.941) 5.153 7.215 ( -0.726 0.000 -6.767) 6.806 7.531 ( -3.455 -0.000 -15.236) 15.623 7.594 ( 2.244 0.000 4.812) 5.309 7.872 ( 6.802 0.000 11.054) 12.979 8.148 ( -1.540 0.000 -2.462) 2.904 8.794 ( 1.567 0.000 -5.733) 5.943 9.014 ( 4.260 0.000 0.216) 4.265 9.296 ( 8.014 0.000 0.483) 8.029 9.482 ( -0.547 0.000 -11.541) 11.554 9.571 ( 3.400 0.000 -9.606) 10.190 10.089 ( -3.614 0.000 7.099) 7.966 10.211 ( -1.422 0.000 11.692) 11.779 10.676 ( -13.401 -0.000 10.250) 16.871 10.848 ( 5.460 0.000 -1.282) 5.608 10.942 ( -2.999 0.000 -4.774) 5.638 11.856 ( -3.118 0.000 3.239) 4.496 11.907 ( 1.754 -0.000 1.755) 2.481 12.720 ( -0.484 0.000 -1.590) 1.662 13.511 ( -1.835 0.000 2.597) 3.180 13.904 ( -5.450 0.000 8.043) 9.716 14.113 ( 0.675 0.000 4.842) 4.889 14.466 ( 0.336 0.000 -2.156) 2.182 15.758 ( 13.700 0.000 -5.272) 14.679 16.147 ( -0.494 0.000 -7.304) 7.320 16.173 ( -5.061 -0.000 3.883) 6.379 16.547 ( 3.156 0.000 3.805) 4.943 17.696 ( -2.295 0.000 -0.985) 2.497 18.553 ( -1.891 0.000 0.010) 1.891 19.247 ( 0.289 0.000 -5.437) 5.444 19.387 ( 0.804 0.000 -0.656) 1.038 ======================= Grid point 127 (67/230) ======================= q-point: (-0.44 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( -3.441 0.000 -7.803) 8.528 2.608 ( -4.979 0.000 -3.761) 6.240 3.204 ( -8.486 0.000 1.932) 8.703 3.214 ( -12.633 0.000 -9.922) 16.063 3.322 ( -7.368 0.000 3.856) 8.316 3.730 ( -4.798 0.000 4.170) 6.357 3.790 ( 0.531 0.000 -0.789) 0.951 4.064 ( 9.623 0.000 -3.025) 10.087 4.261 ( -0.924 0.000 2.008) 2.210 4.754 ( -0.773 0.000 -5.520) 5.574 5.304 ( 2.084 0.000 7.313) 7.604 5.567 ( 2.221 0.000 -0.764) 2.349 5.567 ( 1.827 -0.000 0.625) 1.931 5.682 ( -3.137 0.000 -1.715) 3.576 5.931 ( -0.303 0.000 1.324) 1.358 6.021 ( 2.469 0.000 3.257) 4.087 6.725 ( -4.723 -0.000 -0.680) 4.772 7.059 ( 5.205 0.000 -4.373) 6.798 7.179 ( 1.567 -0.000 -7.383) 7.548 7.366 ( -2.822 -0.000 -12.734) 13.043 7.692 ( 3.588 0.000 7.559) 8.367 7.955 ( -2.448 0.000 2.052) 3.194 8.205 ( 6.346 0.000 4.585) 7.830 8.778 ( 0.814 0.000 -6.338) 6.390 9.042 ( -2.755 0.000 -1.337) 3.062 9.210 ( -9.714 0.000 -7.974) 12.568 9.568 ( 10.642 -0.000 -1.336) 10.725 9.642 ( 11.260 0.000 -5.546) 12.551 10.072 ( -4.120 0.000 7.032) 8.149 10.252 ( -4.638 0.000 13.379) 14.160 10.562 ( -3.257 0.000 4.599) 5.636 10.865 ( -0.132 0.000 -7.750) 7.751 10.966 ( 5.606 0.000 3.961) 6.865 11.790 ( -4.366 0.000 0.007) 4.366 11.979 ( 3.107 -0.000 4.550) 5.509 12.684 ( -1.539 0.000 -3.211) 3.561 13.518 ( 0.763 0.000 2.559) 2.671 13.839 ( -6.003 0.000 5.315) 8.018 14.060 ( -6.494 0.000 1.028) 6.575 14.512 ( 2.662 0.000 1.753) 3.187 15.881 ( -0.610 0.000 -1.090) 1.250 16.100 ( 1.447 0.000 -7.548) 7.685 16.122 ( -1.046 -0.000 3.284) 3.446 16.681 ( 6.266 0.000 7.758) 9.972 17.616 ( -3.756 0.000 -4.442) 5.817 18.448 ( -6.498 0.000 -5.918) 8.789 19.273 ( 5.118 0.000 -3.446) 6.170 19.416 ( 2.304 0.000 0.516) 2.361 ======================= Grid point 129 (68/230) ======================= q-point: (-0.33 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 0.120 0.000 -7.638) 7.639 2.464 ( -7.991 -0.000 -7.255) 10.793 2.792 ( -25.881 -0.000 -10.802) 28.045 2.854 ( -14.171 0.000 -4.511) 14.872 3.279 ( -3.686 0.000 5.584) 6.691 3.704 ( 0.509 0.000 3.471) 3.508 3.793 ( 0.290 0.000 -3.023) 3.037 4.210 ( 6.292 0.000 -6.125) 8.781 4.319 ( 3.074 0.000 9.276) 9.772 4.600 ( -8.666 -0.000 -8.583) 12.197 5.280 ( -12.870 0.000 15.321) 20.009 5.580 ( -1.409 -0.000 -4.564) 4.776 5.635 ( 2.413 -0.000 -1.942) 3.098 5.667 ( 7.487 -0.000 0.735) 7.523 6.088 ( 15.586 -0.000 -4.977) 16.361 6.139 ( 4.811 0.000 9.450) 10.604 6.600 ( -7.171 -0.000 -0.618) 7.197 7.106 ( 3.131 -0.000 -13.894) 14.242 7.234 ( 9.620 0.000 -1.738) 9.776 7.280 ( 2.198 0.000 -8.958) 9.224 7.823 ( 4.166 -0.000 8.240) 9.233 7.898 ( -2.711 0.000 -1.634) 3.165 8.358 ( 4.783 0.000 6.559) 8.118 8.711 ( -3.441 0.000 -9.234) 9.855 8.932 ( -4.175 -0.000 -5.141) 6.622 8.988 ( -6.302 0.000 -5.819) 8.578 9.732 ( 2.269 -0.000 7.495) 7.831 9.848 ( 2.849 0.000 5.371) 6.079 10.031 ( 2.812 0.000 -1.620) 3.246 10.225 ( -3.778 0.000 8.092) 8.930 10.593 ( 3.026 -0.000 1.601) 3.423 10.848 ( 4.225 0.000 -8.488) 9.481 11.087 ( 2.497 0.000 5.339) 5.894 11.726 ( -0.771 0.000 -0.163) 0.788 12.073 ( 2.899 0.000 5.502) 6.219 12.624 ( -2.037 0.000 -3.941) 4.437 13.576 ( 3.809 0.000 2.015) 4.309 13.749 ( -6.361 0.000 3.261) 7.148 13.945 ( -5.389 -0.000 1.333) 5.552 14.522 ( -3.643 0.000 1.796) 4.062 15.714 ( -16.762 0.000 5.351) 17.596 16.124 ( 6.308 0.000 -6.296) 8.913 16.172 ( 3.493 -0.000 -0.400) 3.516 16.878 ( 7.843 0.000 9.935) 12.657 17.515 ( -2.936 0.000 -4.779) 5.609 18.242 ( -9.041 -0.000 -10.295) 13.702 19.377 ( 7.533 0.000 -2.808) 8.040 19.480 ( 3.705 0.000 0.944) 3.823 ======================= Grid point 131 (69/230) ======================= q-point: (-0.22 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -14.865 -0.000 -5.066) 15.705 2.191 ( -23.738 0.000 -11.379) 26.324 2.206 ( -1.602 -0.000 -2.229) 2.745 2.745 ( 4.096 0.000 -4.247) 5.901 3.237 ( -3.403 0.000 2.778) 4.393 3.759 ( -0.491 -0.000 -4.135) 4.164 3.790 ( 5.412 0.000 5.367) 7.622 4.195 ( -3.417 0.000 -7.404) 8.154 4.353 ( -11.170 0.000 -5.448) 12.427 4.473 ( 3.743 -0.000 12.307) 12.863 5.122 ( -11.801 0.000 12.453) 17.156 5.514 ( -0.370 -0.000 -7.058) 7.068 5.694 ( 3.804 -0.000 -1.077) 3.953 5.804 ( 6.924 -0.000 -0.543) 6.945 6.299 ( 3.544 -0.000 11.083) 11.636 6.330 ( 10.175 0.000 -4.384) 11.079 6.456 ( -7.862 -0.000 1.847) 8.076 7.043 ( 1.667 -0.000 -15.023) 15.115 7.360 ( 11.619 -0.000 -5.994) 13.074 7.454 ( 13.788 0.000 -3.084) 14.128 7.838 ( -1.931 -0.000 -2.937) 3.514 7.947 ( 3.291 0.000 5.845) 6.708 8.467 ( 3.184 -0.000 3.605) 4.809 8.542 ( -5.299 0.000 -9.714) 11.065 8.873 ( 0.943 0.000 -0.918) 1.316 8.906 ( -0.561 0.000 -2.526) 2.587 9.683 ( -16.492 0.000 1.811) 16.591 9.690 ( -13.629 -0.000 12.560) 18.534 10.238 ( 13.292 -0.000 -2.371) 13.501 10.283 ( 6.246 0.000 1.027) 6.330 10.677 ( 3.614 -0.000 4.618) 5.864 10.903 ( 7.149 0.000 -8.374) 11.011 11.094 ( -4.449 0.000 2.478) 5.093 11.800 ( 7.161 0.000 2.998) 7.763 12.151 ( 1.143 0.000 5.255) 5.377 12.563 ( -1.402 0.000 -3.207) 3.500 13.642 ( -4.810 0.000 -0.116) 4.812 13.698 ( 6.338 0.000 3.137) 7.072 13.894 ( -1.255 -0.000 3.097) 3.342 14.398 ( -9.588 0.000 0.449) 9.598 15.347 ( -25.214 0.000 6.956) 26.156 16.221 ( 1.970 -0.000 -0.657) 2.076 16.244 ( 9.408 -0.000 -4.786) 10.555 17.116 ( 9.623 -0.000 10.918) 14.554 17.459 ( -0.492 0.000 -1.452) 1.533 17.967 ( -11.268 -0.000 -13.150) 17.317 19.507 ( 7.788 0.000 -3.231) 8.432 19.561 ( 4.071 0.000 0.145) 4.074 ======================= Grid point 133 (70/230) ======================= q-point: (-0.11 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -12.891 -0.000 1.883) 13.028 1.940 ( -6.902 0.000 2.415) 7.313 2.237 ( 1.963 0.000 3.984) 4.442 2.862 ( 11.410 0.000 -9.406) 14.787 3.196 ( -1.807 0.000 0.275) 1.828 3.749 ( 1.560 0.000 -0.385) 1.607 3.958 ( -2.629 0.000 5.297) 5.913 4.015 ( 2.176 0.000 -8.727) 8.995 4.120 ( -13.104 0.000 5.256) 14.119 4.567 ( -2.224 0.000 7.743) 8.056 5.033 ( -5.135 0.000 10.311) 11.519 5.486 ( 3.030 -0.000 -7.857) 8.421 5.750 ( 2.054 0.000 0.550) 2.127 5.938 ( 7.768 0.000 -0.632) 7.793 6.265 ( -8.339 -0.000 -3.377) 8.996 6.365 ( -2.574 -0.000 1.601) 3.031 6.468 ( 3.112 0.000 1.663) 3.528 7.023 ( 5.649 0.000 -6.922) 8.934 7.588 ( 12.895 -0.000 -2.828) 13.201 7.675 ( 10.731 0.000 -4.359) 11.582 7.786 ( -1.144 -0.000 -3.369) 3.558 7.999 ( -0.892 0.000 -0.311) 0.944 8.446 ( 1.962 0.000 -5.260) 5.614 8.553 ( 5.059 0.000 0.985) 5.154 8.913 ( 2.732 0.000 -1.256) 3.007 8.956 ( 5.974 0.000 3.909) 7.139 9.322 ( -20.071 0.000 -2.642) 20.244 9.437 ( -19.341 -0.000 9.901) 21.728 10.414 ( 6.413 -0.000 -3.437) 7.276 10.422 ( 6.952 0.000 -0.567) 6.975 10.804 ( 4.068 -0.000 11.970) 12.643 10.984 ( -7.325 -0.000 0.650) 7.354 10.996 ( 8.220 0.000 -8.534) 11.849 11.976 ( 6.720 0.000 3.700) 7.671 12.179 ( -1.798 0.000 4.092) 4.469 12.537 ( 0.257 0.000 -0.983) 1.016 13.561 ( -3.279 0.000 1.914) 3.797 13.888 ( 12.545 0.000 -0.546) 12.557 13.943 ( 3.672 -0.000 4.042) 5.461 14.194 ( -10.944 -0.000 0.320) 10.949 14.880 ( -27.760 0.000 7.844) 28.847 16.243 ( 0.813 -0.000 -0.167) 0.830 16.387 ( 7.606 0.000 -3.282) 8.284 17.362 ( 6.420 -0.000 3.828) 7.475 17.474 ( 1.118 0.000 3.368) 3.548 17.667 ( -7.930 0.000 -8.563) 11.671 19.614 ( 5.580 0.000 -4.181) 6.973 19.620 ( 2.245 -0.000 -2.097) 3.072 ======================= Grid point 162 (71/230) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -10.815 0.000 32.409) 34.166 1.338 ( 16.189 0.000 31.743) 35.633 2.280 ( -4.355 0.000 55.402) 55.573 3.068 ( 2.877 0.000 -5.580) 6.278 3.153 ( 13.440 0.000 4.290) 14.109 3.413 ( -2.415 0.000 1.885) 3.064 3.448 ( -5.151 0.000 0.363) 5.163 3.954 ( -0.573 0.000 4.073) 4.114 4.319 ( 8.000 0.000 4.644) 9.251 4.867 ( 4.123 0.000 -1.140) 4.278 5.143 ( 6.524 0.000 -10.467) 12.334 5.613 ( -4.775 0.000 -1.683) 5.063 5.699 ( 1.339 0.000 -4.166) 4.376 6.091 ( -1.263 0.000 -10.707) 10.781 6.125 ( 5.283 0.000 -4.103) 6.689 6.276 ( 9.386 0.000 -8.420) 12.609 6.380 ( -14.301 0.000 -4.679) 15.047 7.120 ( -0.673 0.000 -2.728) 2.810 7.260 ( 2.849 0.000 3.824) 4.768 7.792 ( -0.128 0.000 -0.312) 0.337 8.206 ( 4.813 0.000 5.548) 7.345 8.288 ( -2.574 0.000 5.760) 6.309 8.378 ( 15.160 0.000 0.976) 15.191 8.520 ( 11.151 0.000 7.181) 13.263 8.831 ( 2.761 0.000 -2.837) 3.959 8.963 ( 3.035 0.000 -14.676) 14.987 9.111 ( -8.564 0.000 12.546) 15.191 9.147 ( -17.569 0.000 3.101) 17.841 10.425 ( 1.352 0.000 -7.284) 7.408 10.437 ( -1.785 0.000 -7.570) 7.777 10.622 ( -8.675 0.000 -3.122) 9.220 11.068 ( 5.318 0.000 -12.480) 13.566 11.533 ( -0.100 0.000 2.124) 2.126 11.907 ( -5.211 0.000 -3.267) 6.150 12.605 ( -2.450 0.000 9.077) 9.402 13.268 ( -1.445 0.000 5.713) 5.893 13.568 ( 10.911 0.000 -6.488) 12.694 13.881 ( -8.184 0.000 2.862) 8.670 13.963 ( 3.292 0.000 3.399) 4.732 14.172 ( 12.509 0.000 1.496) 12.598 15.364 ( -71.936 0.000 0.901) 71.942 15.611 ( 1.261 0.000 -3.762) 3.968 16.230 ( -0.018 0.000 1.182) 1.182 16.400 ( 0.052 0.000 -0.880) 0.882 17.839 ( 2.304 0.000 9.810) 10.077 18.692 ( -4.019 0.000 3.596) 5.393 19.184 ( 31.400 0.000 -6.635) 32.093 19.400 ( 4.857 0.000 -4.032) 6.312 ======================= Grid point 163 (72/230) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 0.937 0.000 30.041) 30.056 1.898 ( 18.042 0.000 29.476) 34.560 2.713 ( 11.454 0.000 46.832) 48.212 3.096 ( 2.458 0.000 -4.102) 4.782 3.306 ( 4.933 0.000 -11.807) 12.796 3.333 ( -10.798 0.000 15.475) 18.871 3.376 ( -1.156 0.000 -0.122) 1.163 4.066 ( 9.325 0.000 -2.358) 9.618 4.482 ( 5.428 0.000 3.308) 6.357 4.889 ( -1.268 0.000 -1.186) 1.736 5.181 ( 5.382 0.000 -12.424) 13.540 5.487 ( -8.354 0.000 0.796) 8.392 5.639 ( -4.380 0.000 -4.496) 6.277 6.045 ( 4.081 0.000 -8.458) 9.391 6.094 ( -8.923 0.000 -7.754) 11.821 6.226 ( 4.851 0.000 0.959) 4.945 6.426 ( 10.387 0.000 -6.032) 12.011 7.141 ( 5.367 0.000 -3.636) 6.483 7.165 ( -13.299 0.000 4.112) 13.920 7.738 ( -4.904 0.000 -0.693) 4.953 8.300 ( -0.450 0.000 6.756) 6.771 8.328 ( 3.679 0.000 6.811) 7.741 8.523 ( 0.031 0.000 -7.940) 7.940 8.694 ( -1.786 0.000 -11.209) 11.350 8.876 ( -4.767 0.000 12.455) 13.336 8.960 ( 11.890 0.000 0.406) 11.897 9.002 ( 8.012 0.000 -11.354) 13.896 9.151 ( 1.535 0.000 15.014) 15.092 10.321 ( -5.696 0.000 -4.572) 7.303 10.404 ( 0.131 0.000 -2.454) 2.458 10.470 ( -3.174 0.000 -5.207) 6.098 11.070 ( 3.951 0.000 -12.345) 12.962 11.528 ( -1.803 0.000 1.094) 2.109 11.683 ( -16.043 0.000 -0.153) 16.043 12.611 ( -2.854 0.000 8.690) 9.147 13.236 ( -9.150 0.000 12.203) 15.252 13.581 ( -0.596 0.000 -6.160) 6.189 13.735 ( -7.605 0.000 3.848) 8.523 14.075 ( 4.661 0.000 0.380) 4.676 14.318 ( -24.817 0.000 10.188) 26.827 14.590 ( 9.860 0.000 6.089) 11.589 15.608 ( 0.718 0.000 -0.776) 1.057 16.245 ( 0.415 0.000 1.356) 1.418 16.412 ( 1.536 0.000 -1.171) 1.931 17.920 ( -1.497 0.000 10.283) 10.391 18.645 ( -2.759 0.000 2.618) 3.803 19.243 ( -2.407 0.000 -8.857) 9.179 19.649 ( 12.856 0.000 -10.679) 16.713 ======================= Grid point 164 (73/230) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 7.787 0.000 24.435) 25.646 2.399 ( 12.599 0.000 31.170) 33.620 3.058 ( -5.816 0.000 1.425) 5.988 3.174 ( -9.060 0.000 11.463) 14.611 3.240 ( 9.984 0.000 20.530) 22.829 3.340 ( 4.287 0.000 1.741) 4.627 3.414 ( 7.314 0.000 -5.111) 8.923 4.206 ( 8.652 0.000 -8.067) 11.829 4.538 ( -1.011 0.000 -1.443) 1.762 4.805 ( -6.000 0.000 -1.165) 6.112 5.187 ( 4.498 0.000 -12.653) 13.429 5.303 ( -11.188 0.000 2.057) 11.375 5.529 ( -2.932 0.000 -3.941) 4.912 5.909 ( -5.161 0.000 -8.008) 9.527 6.103 ( 6.604 0.000 -7.102) 9.698 6.346 ( 4.459 0.000 5.371) 6.980 6.562 ( 7.786 0.000 -6.239) 9.977 6.900 ( -15.305 0.000 4.117) 15.849 7.249 ( 7.195 0.000 -6.296) 9.561 7.643 ( -2.391 0.000 0.405) 2.425 8.329 ( -5.804 0.000 3.385) 6.719 8.375 ( -3.004 0.000 -5.090) 5.910 8.414 ( -10.205 0.000 -3.690) 10.852 8.425 ( -1.346 0.000 -6.231) 6.375 8.919 ( 1.902 0.000 8.909) 9.110 9.171 ( 8.517 0.000 -2.713) 8.939 9.196 ( 12.988 0.000 -6.448) 14.500 9.306 ( 3.322 0.000 12.810) 13.233 10.201 ( -3.879 0.000 0.178) 3.883 10.395 ( -0.472 0.000 0.812) 0.940 10.439 ( 3.374 0.000 -4.882) 5.934 11.070 ( 4.089 0.000 -8.980) 9.867 11.353 ( -19.154 0.000 6.760) 20.312 11.475 ( -4.027 0.000 -0.209) 4.032 12.623 ( -1.812 0.000 7.830) 8.037 13.105 ( -13.136 0.000 15.928) 20.646 13.551 ( 1.109 0.000 -4.179) 4.323 13.639 ( -5.683 0.000 4.533) 7.269 14.033 ( -12.280 0.000 13.531) 18.272 14.133 ( 2.247 0.000 -2.019) 3.021 14.948 ( 21.064 0.000 -4.959) 21.640 15.650 ( 2.719 0.000 3.661) 4.560 16.259 ( -0.171 0.000 1.815) 1.823 16.431 ( 1.332 0.000 -1.709) 2.167 17.904 ( -6.401 0.000 7.213) 9.644 18.636 ( -0.147 0.000 3.261) 3.264 19.122 ( -2.943 0.000 -10.051) 10.473 19.720 ( 3.395 0.000 -9.946) 10.510 ======================= Grid point 165 (74/230) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 8.716 0.000 18.839) 20.757 2.758 ( 0.678 0.000 28.825) 28.833 2.918 ( -10.418 0.000 5.245) 11.664 3.034 ( -10.973 0.000 15.741) 19.188 3.342 ( 6.700 0.000 -8.414) 10.755 3.556 ( 10.924 0.000 -7.584) 13.299 3.595 ( 4.356 0.000 11.328) 12.137 4.303 ( 8.784 0.000 -11.500) 14.471 4.421 ( -7.490 0.000 -5.807) 9.478 4.684 ( -5.304 0.000 -1.123) 5.421 5.121 ( -6.961 0.000 -0.632) 6.989 5.199 ( 3.719 0.000 -7.607) 8.467 5.468 ( -1.430 0.000 -4.227) 4.463 5.751 ( -6.521 0.000 -8.024) 10.339 6.183 ( 6.978 0.000 -8.047) 10.652 6.403 ( -5.419 0.000 7.404) 9.175 6.634 ( 3.991 0.000 -5.883) 7.109 6.724 ( -3.839 0.000 5.458) 6.673 7.256 ( 0.652 0.000 -9.950) 9.971 7.723 ( 8.929 0.000 -2.629) 9.308 8.050 ( -13.785 0.000 -11.820) 18.159 8.133 ( -7.442 0.000 -3.401) 8.182 8.402 ( 0.102 0.000 6.030) 6.031 8.463 ( -0.899 0.000 6.828) 6.887 9.027 ( 0.369 0.000 7.715) 7.723 9.200 ( -1.587 0.000 -9.840) 9.967 9.368 ( 12.697 0.000 -10.593) 16.536 9.428 ( 2.847 0.000 7.225) 7.765 10.207 ( 2.081 0.000 6.234) 6.572 10.405 ( 0.090 0.000 3.734) 3.735 10.524 ( 6.823 0.000 0.177) 6.825 11.076 ( -15.812 0.000 10.917) 19.215 11.108 ( 4.275 0.000 -4.792) 6.421 11.380 ( -5.100 0.000 -0.564) 5.131 12.637 ( -2.122 0.000 6.356) 6.700 12.969 ( -11.727 0.000 13.894) 18.181 13.555 ( 1.868 0.000 -3.699) 4.144 13.567 ( -4.640 0.000 2.820) 5.430 13.957 ( -5.356 0.000 10.615) 11.890 14.161 ( 2.225 0.000 0.063) 2.226 15.296 ( 18.729 0.000 -5.305) 19.466 15.747 ( 2.942 0.000 6.610) 7.236 16.262 ( -1.173 0.000 2.956) 3.180 16.438 ( 0.814 0.000 -1.904) 2.070 17.786 ( -8.545 0.000 2.100) 8.799 18.675 ( 1.053 0.000 4.803) 4.918 19.007 ( -1.201 0.000 -11.714) 11.775 19.679 ( -0.242 0.000 -9.631) 9.634 ======================= Grid point 166 (75/230) ======================= q-point: (-0.56 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 1.149 0.000 16.177) 16.218 2.714 ( -16.886 0.000 17.550) 24.354 2.771 ( -7.021 0.000 5.952) 9.204 3.047 ( -2.925 0.000 15.234) 15.512 3.387 ( -6.408 0.000 5.420) 8.393 3.647 ( 3.808 0.000 -5.576) 6.752 3.686 ( 7.023 0.000 -8.905) 11.341 4.244 ( -4.954 0.000 -6.332) 8.039 4.371 ( 6.665 0.000 -14.064) 15.563 4.586 ( -3.546 0.000 -3.162) 4.751 5.032 ( -3.240 0.000 -1.136) 3.433 5.234 ( 4.005 0.000 -2.420) 4.679 5.398 ( -2.265 0.000 -5.002) 5.491 5.565 ( -4.748 0.000 -8.052) 9.347 6.259 ( 7.374 0.000 -10.550) 12.872 6.282 ( -8.464 0.000 4.157) 9.429 6.630 ( -0.606 0.000 -5.643) 5.676 6.793 ( 3.300 0.000 8.749) 9.350 7.224 ( 3.235 0.000 -7.518) 8.184 7.617 ( -9.269 0.000 -19.389) 21.491 8.005 ( 7.411 0.000 6.469) 9.837 8.059 ( 0.238 0.000 1.803) 1.818 8.441 ( -0.418 0.000 5.741) 5.757 8.489 ( -0.690 0.000 5.324) 5.369 8.959 ( -8.343 0.000 -2.783) 8.795 9.002 ( -9.005 0.000 -14.344) 16.937 9.540 ( 5.429 0.000 3.824) 6.640 9.600 ( 17.131 0.000 -6.356) 18.272 10.325 ( 3.675 0.000 8.788) 9.525 10.443 ( -0.463 0.000 6.983) 6.998 10.687 ( 7.836 0.000 5.259) 9.437 10.895 ( -11.460 0.000 12.837) 17.208 11.111 ( -2.010 0.000 -6.080) 6.403 11.323 ( 0.227 0.000 2.345) 2.356 12.618 ( -3.663 0.000 4.560) 5.849 12.843 ( -10.333 0.000 11.377) 15.370 13.504 ( -2.875 0.000 0.918) 3.018 13.560 ( 0.584 0.000 -2.652) 2.716 13.950 ( -2.312 0.000 8.398) 8.710 14.236 ( 3.915 0.000 4.690) 6.109 15.591 ( 15.252 0.000 -3.453) 15.638 15.812 ( -1.470 0.000 6.004) 6.181 16.261 ( -1.605 0.000 5.497) 5.727 16.449 ( 1.679 0.000 -0.975) 1.941 17.635 ( -6.740 0.000 -1.671) 6.944 18.728 ( 0.514 0.000 5.550) 5.574 18.917 ( 0.943 0.000 -14.855) 14.885 19.592 ( -1.724 0.000 -9.645) 9.798 ======================= Grid point 167 (76/230) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -16.555 0.000 18.317) 24.690 2.467 ( -20.850 0.000 16.779) 26.763 2.805 ( 6.472 0.000 2.840) 7.067 3.032 ( -7.016 0.000 -2.197) 7.351 3.108 ( -20.802 0.000 7.334) 22.057 3.664 ( -2.771 0.000 -7.543) 8.036 3.696 ( -0.280 0.000 1.443) 1.470 4.171 ( 1.295 0.000 -9.244) 9.334 4.354 ( 1.180 0.000 -13.499) 13.550 4.512 ( -0.741 0.000 -4.448) 4.509 4.918 ( -5.816 0.000 0.220) 5.821 5.358 ( 1.906 0.000 -2.435) 3.092 5.369 ( 10.300 0.000 -0.661) 10.322 5.565 ( 10.373 0.000 -5.209) 11.607 6.174 ( -5.036 0.000 1.942) 5.397 6.315 ( 6.529 0.000 -12.809) 14.377 6.529 ( -4.746 0.000 -8.807) 10.004 6.917 ( 2.734 0.000 9.088) 9.491 7.270 ( 3.365 0.000 -4.263) 5.431 7.367 ( -2.981 0.000 -10.075) 10.507 8.124 ( 3.281 0.000 3.484) 4.786 8.173 ( 5.485 0.000 3.424) 6.465 8.423 ( -5.578 0.000 -1.942) 5.907 8.483 ( -4.333 0.000 1.156) 4.485 8.752 ( -5.465 0.000 -7.628) 9.384 8.762 ( -5.316 0.000 -6.385) 8.308 9.690 ( 7.656 0.000 1.694) 7.841 9.897 ( 17.463 0.000 -5.809) 18.404 10.419 ( -1.177 0.000 9.194) 9.269 10.446 ( -6.566 0.000 9.871) 11.855 10.785 ( -1.947 0.000 4.225) 4.652 10.930 ( 6.355 0.000 17.305) 18.435 10.989 ( -3.096 0.000 -8.854) 9.380 11.388 ( 3.008 0.000 3.073) 4.300 12.567 ( -4.246 0.000 3.699) 5.631 12.735 ( -8.574 0.000 11.014) 13.957 13.485 ( 0.285 0.000 1.497) 1.524 13.528 ( -2.677 0.000 -1.598) 3.118 13.978 ( 0.028 0.000 6.051) 6.051 14.354 ( 3.159 0.000 7.693) 8.316 15.761 ( -6.272 0.000 2.045) 6.597 15.837 ( 11.952 0.000 -0.082) 11.953 16.295 ( 0.216 0.000 10.890) 10.892 16.487 ( 1.942 0.000 0.426) 1.988 17.530 ( -2.421 0.000 -2.232) 3.293 18.765 ( -0.629 0.000 5.589) 5.624 18.818 ( 0.728 0.000 -22.011) 22.023 19.494 ( -1.856 0.000 -8.066) 8.277 ======================= Grid point 168 (77/230) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( -22.936 0.000 21.452) 31.404 2.095 ( -29.193 0.000 8.247) 30.335 2.624 ( -23.070 0.000 5.673) 23.758 2.931 ( -13.694 0.000 10.613) 17.325 2.969 ( 8.548 0.000 -1.025) 8.609 3.536 ( -5.865 0.000 -2.414) 6.342 3.640 ( -4.644 0.000 0.218) 4.649 4.104 ( -0.380 0.000 -11.534) 11.540 4.253 ( -2.617 0.000 -8.869) 9.247 4.529 ( 5.218 0.000 -3.532) 6.301 4.904 ( 3.939 0.000 -1.155) 4.105 5.446 ( 7.465 0.000 -0.286) 7.470 5.539 ( 8.938 0.000 -3.507) 9.602 5.880 ( 21.146 0.000 0.482) 21.152 6.116 ( -1.572 0.000 2.462) 2.921 6.302 ( -2.901 0.000 -8.213) 8.711 6.379 ( 2.268 0.000 -18.745) 18.882 7.001 ( -0.093 0.000 6.284) 6.285 7.212 ( -3.130 0.000 1.645) 3.536 7.443 ( 10.211 0.000 -5.357) 11.530 8.164 ( -4.665 0.000 -8.261) 9.488 8.227 ( -2.666 0.000 -4.238) 5.007 8.231 ( -3.664 0.000 2.515) 4.444 8.323 ( -7.935 0.000 4.063) 8.915 8.728 ( 2.011 0.000 1.729) 2.652 8.751 ( 5.926 0.000 -4.672) 7.546 9.787 ( -0.641 0.000 0.026) 0.642 10.162 ( 13.712 0.000 -8.450) 16.107 10.283 ( -15.823 0.000 8.395) 17.912 10.424 ( -1.576 0.000 5.770) 5.982 10.820 ( 2.012 0.000 3.403) 3.953 10.932 ( 3.460 0.000 -8.638) 9.305 11.237 ( 13.199 0.000 18.077) 22.383 11.454 ( 1.833 0.000 2.268) 2.916 12.524 ( -2.704 0.000 4.575) 5.315 12.682 ( -5.411 0.000 15.118) 16.057 13.440 ( -5.010 0.000 -1.548) 5.244 13.537 ( 3.238 0.000 3.521) 4.783 14.023 ( 0.782 0.000 4.132) 4.205 14.423 ( -2.566 0.000 8.089) 8.486 15.641 ( -4.942 0.000 -2.043) 5.348 16.038 ( 7.943 0.000 0.929) 7.997 16.480 ( 9.508 0.000 23.967) 25.785 16.507 ( -0.277 0.000 0.055) 0.282 17.519 ( 1.907 0.000 0.433) 1.956 18.590 ( -6.278 0.000 -34.632) 35.196 18.779 ( -1.800 0.000 5.392) 5.684 19.429 ( -0.270 0.000 -4.479) 4.487 ======================= Grid point 169 (78/230) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -34.215 0.000 4.439) 34.502 1.667 ( -24.203 0.000 25.339) 35.041 2.320 ( -24.369 0.000 34.023) 41.850 2.756 ( -9.130 0.000 12.181) 15.223 3.075 ( 4.253 0.000 -5.728) 7.134 3.443 ( -3.459 0.000 2.906) 4.518 3.568 ( -0.995 0.000 -5.068) 5.165 4.059 ( 2.872 0.000 -5.578) 6.274 4.147 ( -4.458 0.000 -3.640) 5.755 4.636 ( 7.619 0.000 -3.035) 8.201 4.995 ( 6.660 0.000 -4.792) 8.205 5.590 ( 7.204 0.000 -2.037) 7.487 5.662 ( 5.617 0.000 -3.272) 6.501 6.043 ( 1.223 0.000 -3.594) 3.797 6.167 ( -2.055 0.000 -8.835) 9.071 6.329 ( 3.613 0.000 -18.589) 18.936 6.414 ( 23.197 0.000 8.469) 24.695 6.967 ( -5.760 0.000 -0.522) 5.784 7.197 ( -1.877 0.000 5.345) 5.665 7.616 ( 10.763 0.000 -4.705) 11.746 8.010 ( -1.124 0.000 -4.013) 4.168 8.060 ( -5.259 0.000 -4.263) 6.770 8.262 ( -0.074 0.000 5.896) 5.896 8.306 ( -1.995 0.000 7.582) 7.840 8.784 ( 2.132 0.000 1.231) 2.462 8.855 ( 7.915 0.000 -6.288) 10.109 9.630 ( -15.199 0.000 2.029) 15.334 9.927 ( -22.059 0.000 4.277) 22.470 10.359 ( 10.370 0.000 -10.084) 14.465 10.465 ( 3.205 0.000 -1.598) 3.581 10.858 ( -0.072 0.000 -0.365) 0.372 10.973 ( 6.087 0.000 -8.606) 10.541 11.491 ( 0.675 0.000 2.043) 2.152 11.649 ( 17.427 0.000 9.465) 19.832 12.531 ( -0.643 0.000 6.566) 6.597 12.783 ( 4.376 0.000 22.994) 23.407 13.336 ( -4.137 0.000 -1.351) 4.352 13.648 ( 5.042 0.000 5.214) 7.253 14.054 ( -0.183 0.000 2.755) 2.761 14.341 ( -10.754 0.000 5.810) 12.223 15.579 ( 0.831 0.000 -4.005) 4.090 16.144 ( 3.331 0.000 0.105) 3.333 16.478 ( -2.195 0.000 -0.904) 2.374 17.079 ( 32.379 0.000 38.153) 50.041 17.596 ( 4.056 0.000 4.191) 5.833 18.033 ( -25.355 0.000 -46.597) 53.048 18.770 ( -2.851 0.000 5.129) 5.869 19.416 ( 1.056 0.000 -2.716) 2.914 ======================= Grid point 170 (79/230) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -13.997 0.000 25.106) 28.744 1.414 ( -20.709 0.000 29.730) 36.232 2.159 ( -19.824 0.000 49.047) 52.902 2.838 ( 7.475 0.000 16.245) 17.882 3.073 ( 1.126 0.000 -6.320) 6.420 3.429 ( -1.208 0.000 3.227) 3.446 3.520 ( -0.430 0.000 -6.429) 6.443 4.026 ( -7.172 0.000 1.989) 7.443 4.146 ( 7.016 0.000 1.592) 7.194 4.764 ( 7.211 0.000 -1.959) 7.472 5.079 ( 6.685 0.000 -8.104) 10.505 5.674 ( 4.001 0.000 -4.232) 5.824 5.687 ( -0.802 0.000 -2.852) 2.963 6.063 ( 4.017 0.000 -4.607) 6.113 6.134 ( 3.505 0.000 -7.482) 8.262 6.254 ( 1.735 0.000 -16.407) 16.498 6.666 ( -10.234 0.000 -0.288) 10.238 7.001 ( 17.923 0.000 1.895) 18.023 7.174 ( -3.325 0.000 1.563) 3.674 7.752 ( 5.373 0.000 -2.755) 6.038 8.061 ( 5.724 0.000 2.378) 6.198 8.098 ( 9.862 0.000 3.314) 10.404 8.291 ( -1.311 0.000 5.862) 6.007 8.343 ( 1.683 0.000 7.534) 7.719 8.817 ( 1.258 0.000 -1.253) 1.776 8.946 ( 6.718 0.000 -9.442) 11.588 9.316 ( -18.170 0.000 6.420) 19.271 9.519 ( -22.287 0.000 2.995) 22.487 10.433 ( 4.838 0.000 -10.538) 11.596 10.487 ( 1.442 0.000 -6.003) 6.174 10.792 ( -5.717 0.000 -3.047) 6.478 11.031 ( 6.550 0.000 -10.604) 12.464 11.514 ( 0.328 0.000 2.332) 2.355 11.914 ( 6.536 0.000 -1.333) 6.671 12.574 ( -0.652 0.000 8.371) 8.397 13.167 ( 17.179 0.000 13.100) 21.604 13.293 ( 2.362 0.000 1.225) 2.661 13.792 ( 5.937 0.000 5.498) 8.092 14.062 ( 0.008 0.000 2.605) 2.605 14.126 ( -13.600 0.000 3.049) 13.937 15.597 ( 3.039 0.000 -4.418) 5.362 16.183 ( 0.661 0.000 -0.432) 0.789 16.427 ( -2.005 0.000 -1.067) 2.271 16.900 ( -59.506 0.000 -40.940) 72.229 17.716 ( 4.030 0.000 7.453) 8.473 18.203 ( 54.480 0.000 26.452) 60.563 18.740 ( -3.721 0.000 4.614) 5.927 19.413 ( 0.427 0.000 -3.402) 3.428 ======================= Grid point 171 (80/230) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 8.592 7.724 26.369) 28.789 1.548 ( 2.822 14.359 31.209) 34.470 2.471 ( -6.281 18.228 47.475) 51.240 2.909 ( 4.364 -13.658 12.526) 19.039 3.082 ( 4.106 -1.193 -3.997) 5.853 3.392 ( -1.680 1.290 -9.612) 9.842 3.751 ( -0.130 18.019 0.519) 18.026 3.987 ( 0.326 2.980 4.508) 5.414 4.298 ( 7.344 -1.830 3.930) 8.528 4.729 ( 2.229 -11.704 0.702) 11.935 5.174 ( 5.485 1.601 -8.612) 10.335 5.611 ( -0.734 0.220 -3.714) 3.792 5.721 ( -2.514 0.173 -3.289) 4.143 5.945 ( 4.132 -5.324 -3.932) 7.802 6.215 ( -1.659 1.710 -10.558) 10.823 6.258 ( 3.427 -2.151 -3.101) 5.098 6.435 ( -4.844 4.821 -6.130) 9.181 7.134 ( 0.490 1.257 -3.102) 3.383 7.272 ( 3.075 2.113 3.627) 5.203 7.795 ( -0.718 0.118 -1.277) 1.470 8.115 ( 0.789 -8.279 5.881) 10.186 8.214 ( -0.421 -6.789 3.372) 7.592 8.421 ( 14.775 3.363 -0.128) 15.154 8.556 ( 11.186 3.319 7.275) 13.750 8.830 ( 2.425 -0.182 -4.783) 5.365 8.978 ( 0.027 1.100 -10.218) 10.277 9.091 ( -7.471 -0.844 5.367) 9.238 9.184 ( -15.820 2.692 8.042) 17.950 10.411 ( -0.698 -2.012 -7.682) 7.972 10.414 ( 1.156 -1.289 -6.898) 7.112 10.633 ( -7.702 1.357 -3.594) 8.606 11.076 ( 6.151 0.059 -11.508) 13.049 11.536 ( -0.333 0.320 5.456) 5.475 11.928 ( -4.913 2.240 -2.598) 5.992 12.546 ( -3.329 -5.978 9.824) 11.972 13.220 ( -0.109 -20.393 5.267) 21.063 13.364 ( 3.565 2.742 2.510) 5.150 13.886 ( -6.177 0.511 2.147) 6.560 14.059 ( 11.692 4.663 0.470) 12.596 14.198 ( 6.720 2.422 2.097) 7.445 15.010 ( -39.309 -17.298 14.522) 45.335 16.014 ( -13.774 20.463 -16.751) 29.817 16.249 ( -0.269 2.402 -0.183) 2.424 16.435 ( -5.140 4.009 -2.347) 6.928 17.828 ( 2.033 -1.161 9.869) 10.143 18.472 ( 9.520 -16.258 8.891) 20.833 19.307 ( 8.909 6.831 -8.625) 14.157 19.437 ( 8.658 3.905 -6.054) 11.263 ======================= Grid point 172 (81/230) ======================= q-point: ( 0.11 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 4.656 14.501 24.129) 28.534 2.008 ( 17.615 10.248 26.956) 33.793 2.792 ( 6.954 8.161 39.281) 40.719 2.983 ( -2.605 -10.268 8.132) 13.354 3.193 ( 6.383 -3.050 2.117) 7.384 3.317 ( 2.052 0.712 -11.157) 11.366 3.645 ( -9.810 15.018 5.070) 18.641 4.116 ( 8.903 5.033 -2.197) 10.461 4.457 ( 5.968 -2.518 2.842) 7.073 4.731 ( -2.831 -13.780 1.025) 14.105 5.203 ( 4.085 1.356 -10.099) 10.978 5.546 ( -5.141 4.254 -1.321) 6.803 5.628 ( -3.501 -0.887 -4.759) 5.974 5.917 ( -4.962 -5.329 -4.688) 8.660 6.175 ( 3.875 -3.985 -1.843) 5.856 6.234 ( 1.273 6.302 -5.378) 8.382 6.486 ( 9.046 5.218 -5.246) 11.687 7.125 ( -2.394 0.403 -3.467) 4.233 7.224 ( -4.833 4.392 2.491) 6.990 7.724 ( -5.494 -1.513 -0.683) 5.739 8.175 ( 0.789 -10.222 6.164) 11.963 8.236 ( 0.340 -8.082 2.162) 8.373 8.598 ( 3.165 4.537 -5.402) 7.732 8.697 ( -6.991 -1.891 -11.072) 13.230 8.816 ( 4.652 -2.697 10.613) 11.897 8.978 ( 0.358 -0.629 -5.123) 5.174 9.025 ( 9.771 3.809 0.476) 10.498 9.178 ( 3.229 2.170 10.303) 11.013 10.312 ( -4.486 -0.698 -4.564) 6.438 10.405 ( 0.867 0.038 -3.214) 3.329 10.486 ( -3.504 1.577 -5.064) 6.357 11.102 ( 5.145 2.100 -12.072) 13.289 11.536 ( -2.827 1.303 3.324) 4.554 11.716 ( -15.634 3.331 0.174) 15.986 12.540 ( -3.800 -7.168 9.857) 12.766 13.152 ( -9.277 -14.179 9.533) 19.442 13.429 ( 0.789 0.278 1.523) 1.738 13.818 ( -2.229 3.392 2.496) 4.765 14.173 ( 1.855 6.280 0.821) 6.599 14.331 ( -16.969 1.295 7.669) 18.666 14.591 ( 9.759 0.094 6.507) 11.730 15.766 ( -4.240 14.493 -6.893) 16.599 16.258 ( 0.285 1.293 1.140) 1.747 16.420 ( 1.483 0.902 -1.121) 2.066 17.903 ( -1.708 -1.703 10.071) 10.356 18.587 ( 0.942 -5.684 4.143) 7.096 19.262 ( -2.424 1.902 -8.590) 9.126 19.608 ( 9.357 -3.631 -9.623) 13.905 ======================= Grid point 173 (82/230) ======================= q-point: ( 0.22 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 8.460 14.349 19.946) 25.987 2.476 ( 10.735 7.630 27.564) 30.549 2.899 ( -6.884 -8.134 6.315) 12.387 3.204 ( 9.961 -4.422 11.576) 15.899 3.275 ( 5.748 2.307 -7.180) 9.482 3.408 ( 6.735 3.344 12.911) 14.941 3.496 ( -8.722 12.174 5.988) 16.129 4.246 ( 7.935 4.181 -7.149) 11.470 4.532 ( 0.275 -0.272 -1.255) 1.314 4.641 ( -6.207 -14.317 1.174) 15.649 5.204 ( 3.986 1.062 -11.239) 11.972 5.387 ( -9.062 5.448 -3.180) 11.041 5.545 ( -2.885 2.032 -1.583) 3.867 5.785 ( -4.583 -6.063 -4.289) 8.727 6.235 ( 4.926 3.810 -6.635) 9.100 6.309 ( 4.513 0.196 5.071) 6.791 6.602 ( 6.347 3.955 -6.557) 9.946 6.915 ( -13.375 1.663 2.160) 13.651 7.276 ( 5.833 2.678 -5.464) 8.429 7.620 ( -3.053 -2.453 0.874) 4.012 8.154 ( -6.960 -11.839 1.162) 13.782 8.242 ( -1.177 -9.107 -2.066) 9.412 8.446 ( -9.025 -0.243 -7.971) 12.043 8.563 ( -1.736 6.837 -1.597) 7.233 8.895 ( 1.792 -1.823 6.142) 6.652 9.120 ( 12.185 -5.847 -2.787) 13.800 9.212 ( 7.222 2.715 -0.736) 7.751 9.318 ( 3.885 1.346 5.731) 7.053 10.208 ( -3.458 0.669 -0.102) 3.523 10.392 ( -1.301 -0.262 1.489) 1.995 10.459 ( 4.214 1.839 -5.841) 7.433 11.118 ( 3.858 2.860 -8.854) 10.073 11.393 ( -18.023 4.819 5.735) 19.518 11.479 ( -5.238 0.878 2.417) 5.835 12.541 ( -2.815 -7.890 8.940) 12.251 13.046 ( -8.507 -8.276 10.103) 15.586 13.418 ( -2.646 -0.631 1.693) 3.204 13.827 ( 0.503 8.527 3.657) 9.291 14.057 ( -12.850 2.751 14.508) 19.575 14.217 ( 0.364 7.648 -3.172) 8.287 14.948 ( 21.222 0.011 -4.957) 21.793 15.721 ( 1.140 7.237 0.720) 7.361 16.269 ( -0.225 0.963 1.726) 1.989 16.439 ( 1.268 0.840 -1.694) 2.277 17.886 ( -6.008 -1.759 6.782) 9.229 18.622 ( 0.431 -1.400 3.777) 4.051 19.149 ( -2.394 2.618 -9.683) 10.312 19.654 ( 2.798 -6.274 -8.890) 11.235 ======================= Grid point 174 (83/230) ======================= q-point: ( 0.33 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 8.458 12.116 15.435) 21.368 2.634 ( -9.635 -7.240 11.145) 16.415 2.931 ( 1.738 2.109 22.160) 22.328 3.261 ( -6.993 13.922 8.551) 17.772 3.337 ( 2.846 1.750 -6.363) 7.187 3.518 ( 11.448 -3.036 -4.971) 12.845 3.613 ( 1.881 1.505 11.653) 11.899 4.313 ( 3.135 -0.004 -9.357) 9.868 4.429 ( -4.535 0.235 -5.011) 6.762 4.589 ( -0.124 -6.128 -0.237) 6.133 5.181 ( -6.716 4.185 -6.160) 10.028 5.218 ( 2.787 1.087 -7.943) 8.488 5.493 ( -2.233 1.996 -0.976) 3.149 5.664 ( -5.487 -4.274 -4.916) 8.517 6.268 ( 0.498 4.846 -3.330) 5.901 6.388 ( -0.655 -2.461 5.992) 6.511 6.622 ( 1.687 2.571 -7.519) 8.123 6.775 ( -1.585 3.194 2.108) 4.142 7.261 ( -0.753 0.521 -8.889) 8.936 7.693 ( 8.181 -3.146 -0.674) 8.791 7.939 ( -12.765 -9.867 -7.201) 17.668 8.104 ( -4.691 -2.764 -5.033) 7.414 8.366 ( -1.696 -3.081 6.571) 7.453 8.540 ( -0.791 5.399 1.575) 5.679 9.008 ( 2.467 -2.130 7.719) 8.379 9.219 ( -0.516 1.696 -10.038) 10.193 9.344 ( 11.530 -2.901 -5.916) 13.280 9.377 ( 1.593 -3.262 1.157) 3.810 10.208 ( 1.551 -0.096 4.917) 5.157 10.398 ( -0.137 -0.553 4.763) 4.797 10.545 ( 6.986 2.046 -1.042) 7.353 11.062 ( -11.280 -0.844 6.477) 13.035 11.194 ( -2.456 5.645 -1.898) 6.443 11.396 ( -4.053 3.274 2.443) 5.754 12.541 ( -3.329 -8.653 7.321) 11.813 12.959 ( -7.248 -3.918 8.035) 11.509 13.372 ( -2.785 -2.434 1.538) 4.006 13.844 ( -3.004 13.731 4.428) 14.736 13.985 ( -3.524 2.790 9.163) 10.206 14.207 ( 1.205 4.521 -0.963) 4.777 15.298 ( 18.855 0.312 -5.636) 19.681 15.786 ( 2.569 4.004 4.698) 6.686 16.271 ( -1.222 0.808 2.833) 3.189 16.447 ( 0.986 0.968 -1.563) 2.087 17.777 ( -7.873 -0.860 1.781) 8.117 18.655 ( -0.001 -1.713 3.759) 4.131 19.053 ( -0.257 4.204 -10.354) 11.178 19.616 ( -0.174 -6.155 -8.615) 10.590 ======================= Grid point 175 (84/230) ======================= q-point: (-0.56 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( -7.608 2.464 15.241) 17.211 2.522 ( -0.911 -3.019 4.795) 5.739 3.039 ( -5.908 0.960 9.771) 11.458 3.128 ( -10.523 20.481 16.629) 28.403 3.380 ( -4.019 -0.656 5.272) 6.662 3.626 ( 2.229 -1.297 -5.176) 5.783 3.669 ( 4.551 -2.149 -6.166) 7.959 4.221 ( -2.239 -2.596 -6.535) 7.379 4.390 ( 2.037 1.111 -9.443) 9.724 4.603 ( 1.822 2.326 -4.212) 5.145 5.031 ( -4.578 0.218 -2.846) 5.395 5.244 ( 3.988 0.973 -6.347) 7.559 5.432 ( -1.917 0.750 -2.415) 3.173 5.526 ( -3.371 -0.030 -5.598) 6.535 6.183 ( -7.547 -1.131 3.467) 8.382 6.424 ( 3.266 2.995 -1.887) 4.816 6.602 ( 1.991 2.101 -11.335) 11.699 6.814 ( 1.405 0.904 5.724) 5.963 7.213 ( 2.126 -1.148 -6.528) 6.961 7.588 ( -9.694 -3.319 -17.088) 19.924 7.872 ( 4.051 -9.343 6.537) 12.101 8.104 ( 4.648 1.593 1.747) 5.215 8.391 ( -0.890 -4.452 7.295) 8.592 8.547 ( 0.137 4.243 1.462) 4.490 8.974 ( -7.820 1.727 -3.089) 8.583 9.037 ( -8.672 3.529 -12.420) 15.553 9.470 ( 7.962 -6.231 0.960) 10.156 9.565 ( 15.244 -3.729 -4.969) 16.461 10.301 ( 2.753 -2.333 7.382) 8.217 10.442 ( -0.068 -0.330 7.336) 7.344 10.703 ( 7.999 1.984 4.018) 9.168 10.893 ( -11.342 -0.155 12.088) 16.577 11.108 ( -5.115 -1.418 -5.180) 7.417 11.399 ( 1.731 7.917 3.507) 8.831 12.508 ( -4.645 -9.055 5.684) 11.656 12.875 ( -6.524 -0.840 6.055) 8.940 13.341 ( -1.309 -3.591 0.902) 3.927 13.781 ( -5.466 11.312 3.468) 13.034 13.991 ( -1.874 4.117 5.413) 7.054 14.284 ( 5.153 4.515 4.780) 8.353 15.587 ( 14.589 -0.145 -4.063) 15.145 15.841 ( -0.640 2.766 4.112) 4.996 16.264 ( -2.018 0.279 4.992) 5.392 16.473 ( 2.565 2.438 0.176) 3.543 17.634 ( -6.459 -0.067 -1.906) 6.735 18.660 ( -1.261 -4.935 0.400) 5.109 19.003 ( 2.060 6.663 -9.824) 12.048 19.542 ( -1.292 -4.917 -8.338) 9.766 ======================= Grid point 176 (85/230) ======================= q-point: (-0.44 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( -18.301 -5.834 16.355) 25.228 2.574 ( -6.252 9.098 8.425) 13.887 2.867 ( -8.826 1.892 -4.019) 9.881 3.100 ( -11.828 4.366 16.532) 20.791 3.156 ( -11.669 9.576 -2.154) 15.248 3.610 ( -5.058 -4.274 -1.213) 6.733 3.700 ( 4.209 -0.429 -3.454) 5.462 4.178 ( 0.722 0.022 -7.459) 7.494 4.331 ( -0.992 -0.955 -8.969) 9.074 4.550 ( -3.415 2.571 -6.399) 7.695 4.959 ( -1.077 4.677 -0.432) 4.819 5.308 ( 6.373 -1.986 -4.363) 7.975 5.442 ( 3.913 4.396 -0.566) 5.912 5.555 ( 12.140 -0.711 -4.317) 12.905 6.074 ( -6.224 -3.755 3.678) 8.147 6.457 ( -0.089 1.283 -2.533) 2.841 6.537 ( 3.066 7.673 -18.211) 19.998 6.872 ( 0.073 -4.656 6.265) 7.806 7.245 ( 3.039 -2.544 -3.672) 5.403 7.362 ( -2.310 -0.752 -8.274) 8.624 7.992 ( 3.528 -9.324 6.750) 12.039 8.212 ( 4.396 0.828 -0.164) 4.477 8.408 ( -3.071 -2.014 3.716) 5.224 8.524 ( -4.253 3.403 -3.666) 6.566 8.772 ( -5.054 2.653 -7.364) 9.317 8.798 ( -6.817 3.458 -7.184) 10.490 9.651 ( 8.991 -3.817 1.894) 9.950 9.847 ( 17.285 -4.856 -6.114) 18.966 10.361 ( -3.619 -4.156 8.504) 10.133 10.470 ( -3.956 0.539 9.679) 10.470 10.790 ( -2.980 0.240 5.897) 6.612 10.902 ( 3.728 -1.639 5.863) 7.139 10.985 ( -1.226 -0.763 0.389) 1.496 11.469 ( 2.718 7.374 3.057) 8.432 12.452 ( -4.551 -8.433 5.309) 10.955 12.795 ( -5.770 1.102 5.580) 8.102 13.335 ( 0.359 -3.945 0.012) 3.961 13.701 ( -5.191 8.868 3.915) 10.996 13.990 ( -1.725 1.344 5.206) 5.646 14.425 ( 4.242 6.145 6.841) 10.127 15.739 ( -0.897 -1.073 -0.646) 1.540 15.874 ( 7.331 2.781 -0.019) 7.841 16.270 ( -1.844 -1.836 8.266) 8.666 16.551 ( 4.299 5.756 3.305) 7.908 17.528 ( -2.595 -0.177 -2.424) 3.556 18.596 ( -3.317 -9.470 -8.099) 12.895 18.990 ( 2.660 9.610 -8.218) 12.922 19.466 ( -0.995 -2.642 -6.589) 7.168 ======================= Grid point 177 (86/230) ======================= q-point: (-0.33 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -20.029 -3.264 20.400) 28.775 2.216 ( -32.022 7.590 0.722) 32.917 2.663 ( -11.933 4.596 2.424) 13.015 2.891 ( -10.716 -3.351 6.800) 13.126 3.124 ( -1.331 13.163 5.943) 14.504 3.506 ( -4.004 -1.660 0.576) 4.373 3.693 ( -3.078 3.976 -0.977) 5.122 4.091 ( -1.970 -0.958 -10.740) 10.962 4.278 ( -0.450 2.351 -5.906) 6.372 4.470 ( 0.584 -4.335 -1.745) 4.710 4.996 ( 5.177 8.015 -3.805) 10.273 5.417 ( 7.764 -2.123 -1.437) 8.176 5.557 ( 8.337 1.071 -3.215) 9.000 5.875 ( 17.100 -1.049 -0.396) 17.137 5.996 ( -2.346 -5.441 3.914) 7.101 6.361 ( -2.324 1.781 -8.695) 9.175 6.515 ( 4.935 12.152 -16.396) 20.997 6.913 ( 0.469 -8.134 5.737) 9.965 7.211 ( -3.251 -1.048 1.033) 3.568 7.428 ( 9.813 -1.561 -4.892) 11.075 8.078 ( 0.518 -8.917 5.049) 10.260 8.226 ( -3.640 2.495 -6.286) 7.680 8.271 ( -6.460 3.279 -4.019) 8.285 8.355 ( -7.417 1.297 0.418) 7.541 8.730 ( 1.723 0.556 0.707) 1.944 8.770 ( 5.267 1.834 -4.400) 7.104 9.771 ( 0.241 -1.491 0.234) 1.528 10.117 ( 15.118 -4.488 -8.257) 17.801 10.244 ( -13.673 -3.729 6.011) 15.394 10.424 ( -4.679 -0.301 7.919) 9.203 10.826 ( 1.987 0.390 4.708) 5.125 10.899 ( 3.371 -3.221 -7.289) 8.652 11.170 ( 7.478 -3.957 15.066) 17.279 11.548 ( 4.393 6.860 2.650) 8.567 12.423 ( -2.556 -7.073 7.004) 10.277 12.743 ( -3.853 1.237 7.712) 8.710 13.345 ( 0.639 -2.610 -1.144) 2.920 13.649 ( -3.203 6.745 6.002) 9.580 13.997 ( -1.357 -1.668 5.188) 5.616 14.495 ( -2.611 5.483 6.327) 8.770 15.656 ( -3.914 1.576 -2.713) 5.016 16.043 ( 7.806 0.245 0.567) 7.830 16.306 ( -1.088 -7.938 9.339) 12.305 16.708 ( 9.049 10.758 11.354) 18.070 17.512 ( 1.608 -0.795 0.402) 1.838 18.388 ( -9.229 -12.763 -21.338) 26.522 18.988 ( 2.197 13.262 -5.706) 14.603 19.426 ( 0.508 -0.208 -3.768) 3.808 ======================= Grid point 178 (87/230) ======================= q-point: (-0.22 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( -34.338 5.048 2.551) 34.801 1.656 ( -20.638 1.692 25.292) 32.688 2.491 ( -14.994 13.332 22.864) 30.419 2.729 ( -11.244 -1.710 12.660) 17.019 3.121 ( -0.515 3.879 -3.440) 5.210 3.505 ( 1.641 6.237 4.722) 7.993 3.610 ( -2.166 4.160 -5.813) 7.469 4.024 ( 1.402 -2.687 -5.617) 6.383 4.214 ( -2.931 5.585 -2.212) 6.684 4.539 ( 5.730 -7.526 -0.418) 9.468 5.067 ( 5.794 5.362 -7.159) 10.657 5.565 ( 7.473 -2.196 -2.153) 8.081 5.687 ( 7.054 2.315 -3.403) 8.167 5.884 ( -2.827 -9.744 -0.218) 10.149 6.151 ( 3.930 -2.279 -7.208) 8.521 6.408 ( 9.179 4.472 -11.825) 15.623 6.518 ( 8.317 8.234 0.429) 11.711 6.950 ( 0.260 -0.872 -0.618) 1.099 7.161 ( -2.830 -3.923 3.722) 6.104 7.603 ( 11.138 -1.398 -4.661) 12.155 8.043 ( -0.975 1.554 -3.354) 3.822 8.099 ( -5.536 1.287 -0.774) 5.736 8.192 ( -0.012 -0.416 3.402) 3.427 8.316 ( -1.416 -1.557 4.701) 5.150 8.779 ( 2.397 -0.249 -0.042) 2.410 8.868 ( 7.296 1.138 -4.757) 8.784 9.624 ( -14.910 -0.285 2.027) 15.050 9.923 ( -20.779 -0.562 3.663) 21.107 10.322 ( 11.235 -3.566 -10.329) 15.673 10.440 ( 2.357 -2.630 -0.368) 3.551 10.864 ( -0.182 0.513 -1.668) 1.754 10.951 ( 5.833 -2.078 -5.717) 8.428 11.377 ( 3.250 -8.134 12.246) 15.057 11.726 ( 12.021 4.948 3.162) 13.379 12.455 ( -0.089 -6.076 9.335) 11.139 12.782 ( 2.065 -2.871 12.402) 12.896 13.335 ( -0.608 2.354 -1.175) 2.700 13.680 ( 1.785 2.842 7.592) 8.301 14.002 ( -1.963 -3.251 5.036) 6.308 14.401 ( -10.074 3.894 3.768) 11.439 15.578 ( -3.099 -0.545 -1.940) 3.696 16.151 ( 3.523 0.510 -0.188) 3.564 16.327 ( -1.476 -10.973 3.279) 11.547 17.141 ( 23.712 4.402 23.231) 33.486 17.582 ( 3.401 -1.436 4.134) 5.542 17.917 ( -21.095 -7.979 -30.943) 38.290 19.005 ( 3.192 17.796 -3.579) 18.431 19.426 ( 1.395 1.028 -2.704) 3.211 ======================= Grid point 179 (88/230) ======================= q-point: (-0.11 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -13.425 6.172 22.223) 26.687 1.492 ( -14.824 9.243 29.225) 34.049 2.398 ( -15.759 20.432 39.118) 46.861 2.726 ( 1.140 -7.811 16.118) 17.948 3.080 ( 0.344 0.272 -5.660) 5.677 3.491 ( -2.581 3.614 -6.372) 7.767 3.646 ( 6.722 11.609 1.160) 13.465 4.032 ( -2.036 -0.558 1.130) 2.395 4.173 ( 1.558 3.644 1.555) 4.257 4.649 ( 5.347 -9.235 0.234) 10.674 5.122 ( 5.715 2.508 -8.461) 10.514 5.630 ( 2.354 -1.713 -5.493) 6.217 5.753 ( 0.756 2.524 -0.423) 2.669 5.886 ( 3.965 -7.848 -3.639) 9.516 6.169 ( 5.773 -1.581 -8.170) 10.128 6.346 ( -1.231 6.187 -13.651) 15.038 6.632 ( -7.674 -3.497 0.353) 8.440 7.046 ( 13.246 4.434 1.099) 14.012 7.160 ( 0.041 -0.820 0.789) 1.139 7.756 ( 6.733 -0.067 -3.673) 7.670 8.057 ( 1.133 -0.367 3.356) 3.561 8.128 ( 8.339 -1.228 2.752) 8.867 8.230 ( 0.825 -1.128 4.430) 4.646 8.358 ( 3.621 0.615 5.449) 6.571 8.812 ( 2.020 -0.294 -2.583) 3.292 8.962 ( 6.262 1.347 -7.135) 9.589 9.313 ( -17.935 -0.169 5.224) 18.681 9.531 ( -21.884 1.114 3.712) 22.225 10.409 ( 5.562 -2.129 -10.695) 12.242 10.460 ( 1.230 -2.933 -5.411) 6.276 10.790 ( -5.333 0.361 -3.655) 6.475 11.022 ( 6.530 -1.207 -8.711) 10.953 11.481 ( 1.062 -3.325 8.322) 9.024 11.931 ( 6.093 1.672 -1.042) 6.404 12.519 ( -0.653 -5.335 9.492) 10.908 13.014 ( 12.239 -15.342 10.417) 22.219 13.325 ( -0.205 5.743 1.462) 5.929 13.817 ( 7.628 1.864 6.463) 10.170 13.981 ( -4.131 -3.006 4.346) 6.707 14.220 ( -8.384 4.409 1.829) 9.647 15.454 ( -12.941 -12.949 3.395) 18.619 16.189 ( 0.798 0.620 -1.060) 1.464 16.302 ( -1.503 -5.807 -2.438) 6.475 17.004 ( -35.823 6.413 -31.521) 48.146 17.710 ( 3.875 -0.696 7.034) 8.061 17.973 ( 29.947 -12.967 22.820) 39.821 19.092 ( 10.032 21.944 -4.252) 24.500 19.427 ( 0.724 1.472 -3.681) 4.030 ======================= Grid point 180 (89/230) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 16.289 17.217 17.756) 29.615 1.863 ( 1.692 19.047 25.508) 31.880 2.636 ( 3.475 -9.463 15.405) 18.410 2.900 ( -5.846 17.111 31.577) 36.387 3.064 ( 1.892 -0.696 -4.363) 4.806 3.431 ( -2.761 2.608 -10.665) 11.321 4.006 ( -5.664 4.761 1.710) 7.594 4.033 ( 9.668 3.918 2.371) 10.698 4.263 ( 5.610 -1.620 2.247) 6.257 4.540 ( -3.894 -5.393 5.575) 8.679 5.190 ( 3.784 1.298 -1.997) 4.471 5.609 ( 3.310 -5.403 -7.544) 9.852 5.668 ( -2.458 0.544 -0.617) 2.592 5.957 ( -0.037 4.029 -4.795) 6.263 6.192 ( 6.203 -3.906 -1.905) 7.573 6.206 ( -7.700 -2.550 -5.078) 9.570 6.508 ( 1.907 2.477 -4.197) 5.234 7.157 ( 4.131 0.924 -2.396) 4.864 7.367 ( 3.173 7.739 -1.399) 8.481 7.777 ( -3.639 -3.098 -1.430) 4.988 7.930 ( 2.081 -9.270 2.914) 9.938 8.073 ( -1.594 -7.843 0.156) 8.004 8.478 ( 11.798 2.186 -1.534) 12.097 8.636 ( 10.647 5.170 7.358) 13.936 8.818 ( -2.266 -1.158 -7.496) 7.916 8.989 ( -2.377 -0.076 -2.182) 3.228 9.092 ( -0.991 0.804 -1.926) 2.310 9.237 ( -16.233 2.815 10.057) 19.302 10.365 ( -0.309 -2.239 -6.066) 6.473 10.395 ( 3.696 -0.961 -8.718) 9.518 10.672 ( -6.791 2.587 -4.562) 8.580 11.048 ( 6.860 -3.091 -9.928) 12.457 11.542 ( 0.104 0.140 14.561) 14.562 11.986 ( -4.227 3.572 -0.762) 5.586 12.392 ( -5.498 -9.578 10.076) 14.949 12.844 ( 1.775 -14.912 4.272) 15.613 13.498 ( 1.003 8.120 5.785) 10.020 13.902 ( -3.891 1.218 0.496) 4.108 14.108 ( 15.312 1.117 -1.228) 15.402 14.239 ( 2.507 1.493 4.066) 5.005 14.785 ( -27.947 -7.526 16.684) 33.407 16.219 ( -0.426 3.560 -2.879) 4.598 16.339 ( 4.163 5.307 -7.678) 10.220 16.568 ( -17.135 9.225 -13.141) 23.482 17.796 ( 1.336 -2.182 10.273) 10.586 18.201 ( 13.775 -11.571 10.877) 21.023 19.393 ( -0.530 3.309 -6.863) 7.638 19.511 ( 5.907 2.751 -9.048) 11.151 ======================= Grid point 181 (90/230) ======================= q-point: ( 0.11 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 9.962 22.243 13.459) 27.841 2.229 ( 17.139 12.125 23.505) 31.516 2.794 ( 1.209 -8.652 12.390) 15.160 2.965 ( -1.212 7.128 9.532) 11.964 3.192 ( 5.506 2.666 20.691) 21.577 3.329 ( 0.486 0.823 -12.315) 12.352 3.873 ( -8.565 7.779 2.284) 11.794 4.217 ( 8.091 2.922 0.167) 8.604 4.374 ( 1.490 -8.104 1.828) 8.440 4.506 ( -0.946 -3.701 5.256) 6.498 5.230 ( 1.387 2.807 -2.373) 3.928 5.594 ( -3.198 -1.753 -3.479) 5.041 5.615 ( 1.143 1.336 -5.938) 6.193 5.866 ( -5.811 -0.967 -3.851) 7.038 6.107 ( 0.126 -2.460 -0.063) 2.464 6.294 ( 5.178 0.315 -0.828) 5.253 6.588 ( 8.072 4.796 -3.555) 10.040 7.171 ( -0.950 3.961 -8.228) 9.181 7.324 ( -4.896 6.387 2.478) 8.421 7.673 ( -5.950 -4.024 -0.063) 7.183 7.988 ( 1.202 -8.557 1.961) 8.860 8.051 ( -0.962 -10.858 0.242) 10.903 8.586 ( -10.131 -7.607 -3.090) 13.041 8.651 ( 5.105 0.873 -6.431) 8.258 8.826 ( 5.072 2.151 2.685) 6.129 8.968 ( -5.012 -0.257 -3.561) 6.153 9.108 ( 9.748 4.396 -0.302) 10.698 9.221 ( 4.135 2.469 8.714) 9.957 10.302 ( -2.628 -0.299 -3.954) 4.757 10.403 ( 1.641 -0.377 -4.839) 5.124 10.524 ( -3.682 2.373 -5.514) 7.042 11.102 ( 5.972 -2.298 -10.832) 12.581 11.585 ( -4.460 3.443 10.008) 11.485 11.803 ( -13.796 5.620 0.456) 14.904 12.355 ( -5.125 -11.602 11.318) 16.999 12.869 ( -1.362 -12.046 4.156) 12.816 13.541 ( -1.832 8.014 5.988) 10.170 13.868 ( 0.118 2.061 2.170) 2.995 14.254 ( -4.473 2.522 4.459) 6.801 14.359 ( -0.719 1.498 3.759) 4.110 14.593 ( 9.545 0.049 7.329) 12.035 16.057 ( -8.041 14.157 -12.893) 20.768 16.293 ( -0.723 2.460 -0.661) 2.648 16.443 ( 1.463 1.403 -1.087) 2.300 17.860 ( -1.970 -2.604 9.680) 10.216 18.454 ( 7.027 -7.539 6.765) 12.327 19.310 ( -2.337 3.003 -8.071) 8.923 19.537 ( 3.064 -3.423 -8.619) 9.767 ======================= Grid point 182 (91/230) ======================= q-point: ( 0.22 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 9.426 21.195 11.738) 25.997 2.648 ( 4.446 8.710 17.344) 19.911 2.811 ( -0.950 -0.310 9.602) 9.653 3.088 ( 10.830 -7.357 0.804) 13.117 3.287 ( 4.002 -0.820 -12.670) 13.312 3.463 ( 4.764 3.040 24.062) 24.716 3.735 ( -8.351 9.640 5.938) 14.069 4.330 ( 4.652 2.070 -3.665) 6.273 4.339 ( -4.554 -15.479 3.527) 16.516 4.575 ( 4.020 6.535 -0.960) 7.732 5.217 ( 0.376 1.695 -4.407) 4.737 5.451 ( -7.423 1.822 -7.199) 10.500 5.593 ( -1.173 1.674 -2.505) 3.234 5.755 ( -4.196 1.573 0.996) 4.590 6.158 ( 4.239 -5.703 -0.539) 7.126 6.383 ( 2.457 2.143 3.294) 4.635 6.703 ( 6.093 5.682 -6.118) 10.337 6.974 ( -10.587 5.096 -4.194) 12.476 7.343 ( 3.305 4.247 -3.273) 6.299 7.554 ( -4.849 -4.148 1.971) 6.679 7.940 ( -6.984 -10.534 -1.001) 12.678 8.045 ( -0.087 -11.428 -1.246) 11.496 8.386 ( -6.942 -5.511 -2.869) 9.316 8.654 ( -0.553 2.977 -3.559) 4.672 8.875 ( 0.333 -0.175 -1.395) 1.445 8.993 ( 10.259 -6.737 -1.715) 12.392 9.279 ( 6.580 3.950 -0.965) 7.734 9.360 ( 3.982 3.099 2.958) 5.849 10.223 ( -3.158 0.879 -0.445) 3.308 10.379 ( -2.045 -1.273 1.710) 2.954 10.501 ( 5.103 2.451 -7.129) 9.104 11.117 ( 1.515 -2.646 -7.605) 8.193 11.468 ( -16.231 1.749 9.624) 18.950 11.584 ( -5.672 10.281 1.971) 11.906 12.351 ( -3.312 -11.464 10.020) 15.582 12.861 ( -1.709 -8.748 2.284) 9.201 13.508 ( -5.389 7.424 6.290) 11.123 13.931 ( 4.153 3.008 3.492) 6.204 14.132 ( -10.968 4.584 15.275) 19.355 14.362 ( -0.639 6.650 -2.130) 7.012 14.950 ( 21.700 0.264 -4.549) 22.173 15.897 ( -1.870 10.337 -5.189) 11.717 16.290 ( -0.424 1.064 1.314) 1.743 16.460 ( 1.085 1.258 -1.632) 2.329 17.846 ( -4.936 -2.207 5.917) 8.015 18.583 ( 2.533 -2.678 5.231) 6.399 19.210 ( -1.633 3.460 -9.183) 9.948 19.518 ( 0.712 -7.167 -7.192) 10.178 ======================= Grid point 183 (92/230) ======================= q-point: ( 0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( 4.414 16.474 9.930) 19.735 2.559 ( -8.286 0.035 0.296) 8.292 2.977 ( 0.614 2.045 17.988) 18.114 3.291 ( 6.149 -1.299 -7.104) 9.485 3.397 ( 16.115 -4.432 -0.296) 16.716 3.610 ( -3.966 8.763 6.699) 11.722 3.659 ( -4.643 4.788 14.549) 16.005 4.260 ( -5.400 -6.508 -1.065) 8.523 4.356 ( 1.687 -3.796 -2.832) 5.027 4.629 ( 4.372 7.988 -5.560) 10.669 5.202 ( 1.087 -1.243 -5.936) 6.161 5.248 ( -6.718 3.084 -7.762) 10.719 5.527 ( -4.305 2.002 -1.372) 4.942 5.697 ( -3.661 5.848 1.777) 7.125 6.228 ( 2.608 -7.989 -0.882) 8.450 6.381 ( -6.718 2.027 7.770) 10.470 6.740 ( 4.112 6.645 -7.980) 11.169 6.827 ( -1.494 3.462 -4.947) 6.220 7.273 ( -4.328 0.639 -6.180) 7.572 7.605 ( 3.374 -5.836 6.003) 9.027 7.744 ( -8.106 -9.676 -11.224) 16.891 8.030 ( 0.857 -4.951 0.629) 5.064 8.286 ( -3.589 -5.126 2.703) 6.817 8.625 ( 0.009 3.369 -2.611) 4.262 8.951 ( 5.627 -3.373 4.189) 7.784 9.190 ( 10.628 -6.042 -4.261) 12.946 9.319 ( -0.614 3.222 -3.021) 4.459 9.373 ( 0.408 1.801 -8.271) 8.475 10.203 ( 0.093 -0.207 3.289) 3.297 10.377 ( -0.434 -1.982 4.782) 5.194 10.596 ( 7.908 3.074 -2.212) 8.769 11.034 ( -7.701 -2.339 1.103) 8.124 11.236 ( -12.394 -0.064 6.128) 13.826 11.550 ( -0.489 11.147 3.029) 11.562 12.348 ( -3.570 -11.150 7.587) 13.951 12.833 ( -2.025 -6.973 -0.099) 7.262 13.443 ( -5.398 7.121 6.522) 11.063 14.047 ( -7.652 5.196 13.339) 16.232 14.056 ( 3.545 6.512 4.254) 8.548 14.311 ( -0.962 5.847 -3.206) 6.738 15.311 ( 19.336 1.099 -6.157) 20.322 15.887 ( 1.440 6.234 -0.200) 6.401 16.286 ( -1.419 0.605 2.377) 2.834 16.473 ( 1.573 1.675 -0.525) 2.357 17.760 ( -6.274 -0.795 1.091) 6.417 18.625 ( -1.164 -1.247 3.099) 3.537 19.136 ( 0.839 3.798 -9.443) 10.213 19.475 ( -0.315 -7.685 -5.990) 9.749 ======================= Grid point 184 (93/230) ======================= q-point: (-0.56 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( -14.676 -0.853 6.709) 16.159 2.635 ( 6.408 9.565 -0.080) 11.514 3.033 ( -3.447 -0.277 5.335) 6.358 3.365 ( -0.693 -0.496 5.771) 5.834 3.517 ( -10.133 16.603 11.304) 22.497 3.613 ( 1.677 -2.151 -0.359) 2.752 3.623 ( -1.133 1.040 -1.806) 2.372 4.150 ( -1.390 -4.267 -5.192) 6.863 4.381 ( 1.510 -1.878 -2.261) 3.305 4.667 ( 2.921 2.743 -6.483) 7.621 5.064 ( -3.178 4.172 -6.265) 8.170 5.250 ( 5.577 0.459 -5.616) 7.928 5.437 ( -2.337 2.646 -1.318) 3.768 5.621 ( -4.661 7.106 -0.265) 8.502 6.184 ( -8.555 -1.116 6.194) 10.621 6.346 ( 0.758 -5.612 2.185) 6.070 6.751 ( 5.103 8.800 -17.625) 20.350 6.804 ( -0.767 -1.710 2.133) 2.839 7.184 ( -0.685 -1.704 -4.423) 4.789 7.477 ( -9.177 -8.223 -8.196) 14.799 7.722 ( 4.479 -5.379 2.005) 7.282 8.120 ( 5.681 0.448 1.920) 6.013 8.273 ( -0.834 -7.974 6.300) 10.197 8.619 ( 0.894 3.101 -2.506) 4.086 9.016 ( -4.594 2.125 -0.197) 5.066 9.126 ( -7.916 5.507 -10.811) 14.487 9.353 ( 8.266 -4.966 -3.544) 10.274 9.471 ( 14.419 -5.654 -5.378) 16.395 10.255 ( 1.231 -2.038 6.280) 6.716 10.417 ( 0.415 -2.480 5.885) 6.400 10.760 ( 8.487 3.476 1.866) 9.359 10.885 ( -9.601 -0.986 7.417) 12.172 11.058 ( -9.769 -2.932 3.210) 10.693 11.584 ( 1.192 10.484 3.084) 10.993 12.318 ( -3.909 -10.638 5.508) 12.601 12.785 ( -2.154 -6.155 -1.822) 6.770 13.399 ( -3.592 7.078 5.914) 9.898 13.957 ( -8.878 7.558 9.524) 15.055 14.085 ( -2.699 5.025 0.462) 5.723 14.376 ( 6.583 4.373 4.635) 9.162 15.595 ( 14.236 1.139 -5.640) 15.355 15.904 ( 0.040 3.520 -0.515) 3.557 16.269 ( -2.707 0.128 4.468) 5.225 16.534 ( 4.447 3.741 2.260) 6.236 17.635 ( -5.833 0.287 -2.486) 6.347 18.578 ( -3.981 -3.480 -2.506) 5.852 19.117 ( 3.126 4.481 -7.829) 9.547 19.432 ( -0.147 -5.624 -4.693) 7.326 ======================= Grid point 185 (94/230) ======================= q-point: (-0.44 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -14.130 0.310 9.480) 17.019 2.724 ( 3.689 2.572 -1.639) 4.787 2.870 ( -15.916 2.499 -5.542) 17.037 3.145 ( -21.287 1.837 5.401) 22.038 3.450 ( -6.301 16.644 8.275) 19.627 3.527 ( -4.896 -3.934 3.611) 7.244 3.689 ( 6.371 -0.307 -4.655) 7.896 4.146 ( 2.155 -3.429 -4.362) 5.952 4.341 ( -2.600 1.253 -3.093) 4.230 4.583 ( -6.315 1.137 -6.888) 9.413 5.094 ( 6.118 9.055 -1.243) 10.999 5.304 ( 4.161 2.525 -4.011) 6.307 5.521 ( 6.038 3.515 -1.188) 7.087 5.567 ( 7.125 2.599 -0.995) 7.649 6.053 ( -9.256 -0.099 6.534) 11.330 6.390 ( 2.451 -4.795 -0.834) 5.449 6.712 ( 2.562 2.113 -12.436) 12.872 6.778 ( -0.998 0.481 -5.623) 5.731 7.181 ( 1.889 -3.883 -2.551) 5.015 7.323 ( -1.439 -3.865 -4.455) 6.071 7.828 ( 3.266 -6.928 5.708) 9.552 8.189 ( 1.340 -4.000 -0.275) 4.228 8.348 ( 2.483 -3.025 5.934) 7.109 8.590 ( -2.880 3.188 -6.239) 7.575 8.849 ( -5.570 4.883 -6.438) 9.813 8.887 ( -8.451 5.703 -7.971) 12.941 9.566 ( 12.245 -4.389 0.805) 13.033 9.736 ( 16.839 -6.396 -6.500) 19.150 10.285 ( -4.712 -3.479 7.891) 9.827 10.454 ( -2.088 -2.079 7.474) 8.034 10.783 ( -4.772 -1.081 7.542) 8.990 10.864 ( -1.154 -2.945 -5.507) 6.351 10.994 ( 2.401 2.519 11.645) 12.154 11.619 ( 0.608 7.616 2.010) 7.900 12.288 ( -2.514 -8.782 4.916) 10.373 12.729 ( -2.139 -5.804 -2.276) 6.591 13.387 ( -1.374 7.221 4.600) 8.672 13.850 ( -7.704 6.917 6.843) 12.411 14.025 ( -4.187 2.021 3.310) 5.708 14.532 ( 4.080 4.240 6.374) 8.675 15.741 ( 2.989 1.358 -4.164) 5.303 15.920 ( 4.993 1.832 -2.657) 5.945 16.243 ( -4.062 -0.935 6.789) 7.966 16.672 ( 7.133 6.361 5.279) 10.919 17.525 ( -3.147 -0.051 -2.964) 4.323 18.436 ( -6.615 -7.296 -10.125) 14.125 19.143 ( 4.322 5.979 -6.049) 9.541 19.413 ( 1.019 -2.264 -3.157) 4.016 ======================= Grid point 186 (95/230) ======================= q-point: (-0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -12.772 4.363 14.260) 19.634 2.333 ( -32.137 4.889 -7.509) 33.363 2.765 ( 0.835 3.137 -0.103) 3.248 2.802 ( -16.082 -4.323 2.615) 16.857 3.352 ( -9.513 6.682 7.855) 14.030 3.528 ( 2.740 6.209 2.831) 7.353 3.746 ( 0.869 1.002 -0.995) 1.658 4.084 ( -3.717 0.184 -8.558) 9.333 4.343 ( 3.018 4.761 1.410) 5.810 4.418 ( -5.521 -0.812 -2.502) 6.116 5.155 ( 2.253 8.163 -4.778) 9.723 5.404 ( 7.096 1.581 -1.393) 7.403 5.579 ( 6.567 1.977 -1.312) 6.982 5.848 ( 4.889 -1.244 3.718) 6.267 5.953 ( 4.013 -0.537 0.733) 4.115 6.410 ( 3.028 3.524 -6.723) 8.172 6.698 ( -3.181 -2.108 -4.205) 5.679 6.754 ( 9.180 0.397 -6.123) 11.042 7.155 ( -3.426 -4.659 -1.512) 5.977 7.380 ( 8.825 -3.820 -3.350) 10.183 7.902 ( 0.470 -8.290 4.964) 9.674 8.208 ( 0.968 -5.841 0.539) 5.945 8.349 ( -5.149 5.044 -1.751) 7.418 8.411 ( -7.413 4.975 -7.104) 11.409 8.765 ( -0.194 3.262 -1.733) 3.699 8.809 ( 3.408 1.922 -3.896) 5.522 9.744 ( 3.324 -1.055 -0.036) 3.487 10.010 ( 16.647 -6.252 -8.250) 19.603 10.159 ( -11.917 -4.791 3.643) 13.351 10.409 ( -7.247 -1.178 8.867) 11.512 10.813 ( 2.342 -2.565 6.291) 7.187 10.834 ( 2.321 -2.703 -3.134) 4.745 11.138 ( 2.427 0.681 11.342) 11.619 11.660 ( 3.566 4.622 1.701) 6.080 12.296 ( -0.389 -6.245 5.626) 8.414 12.680 ( -1.517 -5.866 -1.078) 6.154 13.409 ( 0.955 7.614 2.929) 8.213 13.765 ( -6.200 5.472 7.977) 11.490 13.980 ( -3.177 -0.269 4.526) 5.537 14.573 ( -4.474 2.372 5.328) 7.350 15.698 ( -3.529 2.713 -3.185) 5.473 16.032 ( 6.558 -1.599 -1.580) 6.932 16.210 ( -3.293 -2.162 5.535) 6.793 16.886 ( 10.677 7.694 9.077) 15.987 17.492 ( 0.777 -1.204 0.273) 1.459 18.178 ( -10.879 -9.098 -17.327) 22.391 19.199 ( 5.585 8.378 -5.290) 11.374 19.427 ( 2.183 0.561 -2.291) 3.214 ======================= Grid point 187 (96/230) ======================= q-point: (-0.22 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -30.071 8.844 1.115) 31.364 1.790 ( -11.448 11.361 18.494) 24.538 2.561 ( -10.443 -5.621 6.124) 13.348 2.791 ( -1.447 4.864 7.610) 9.147 3.216 ( -8.458 5.734 4.558) 11.189 3.647 ( 6.487 7.732 4.643) 11.110 3.705 ( -3.458 4.982 -4.128) 7.336 3.977 ( -0.395 -1.529 -5.333) 5.562 4.300 ( -4.737 1.678 1.898) 5.371 4.462 ( 4.690 2.096 1.889) 5.474 5.145 ( 1.252 3.130 -6.152) 7.015 5.518 ( 6.190 -2.955 -3.840) 7.861 5.739 ( 9.473 3.159 -0.886) 10.026 5.774 ( -5.483 -1.925 3.761) 6.922 6.125 ( 5.716 0.162 -6.302) 8.510 6.469 ( 7.029 2.091 -7.576) 10.544 6.595 ( -4.810 -1.235 -0.714) 5.017 6.978 ( 14.874 2.428 -0.415) 15.076 7.061 ( -3.427 -4.367 -2.537) 6.103 7.559 ( 11.630 -3.452 -4.027) 12.783 7.921 ( -0.917 -9.441 3.557) 10.131 8.182 ( -4.705 4.139 -5.085) 8.070 8.246 ( -0.632 -3.181 2.653) 4.190 8.310 ( -0.009 8.468 -0.890) 8.515 8.785 ( 2.270 1.098 -1.931) 3.176 8.887 ( 6.122 0.687 -2.124) 6.516 9.630 ( -14.353 1.074 1.452) 14.466 9.899 ( -17.059 -1.999 2.037) 17.296 10.239 ( 13.083 -4.876 -10.140) 17.256 10.377 ( 0.267 -3.411 1.514) 3.741 10.858 ( 2.536 -1.964 -5.751) 6.585 10.917 ( 3.467 -0.771 2.521) 4.355 11.246 ( 0.199 -5.068 17.288) 18.016 11.803 ( 9.342 3.141 1.900) 10.038 12.343 ( 0.548 -5.483 6.967) 8.882 12.670 ( 0.739 -7.046 1.454) 7.232 13.451 ( 1.229 8.445 1.601) 8.683 13.739 ( -1.712 3.061 9.029) 9.686 13.966 ( -1.730 -0.678 5.002) 5.336 14.445 ( -10.747 0.683 2.845) 11.138 15.543 ( -13.277 -3.101 2.394) 13.843 16.138 ( 6.311 -1.876 -2.920) 7.202 16.210 ( 0.622 -0.785 1.897) 2.145 17.208 ( 14.451 2.550 9.176) 17.307 17.548 ( 2.725 -1.914 4.811) 5.851 17.796 ( -14.239 -4.795 -18.047) 23.483 19.285 ( 7.265 10.557 -5.883) 14.101 19.455 ( 2.307 2.082 -2.827) 4.202 ======================= Grid point 188 (97/230) ======================= q-point: (-0.11 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -7.406 15.473 15.844) 23.352 1.756 ( -6.671 17.615 22.757) 29.541 2.510 ( -1.680 -8.710 12.867) 15.629 2.823 ( -4.520 12.392 19.717) 23.722 3.108 ( -4.127 4.160 -0.332) 5.869 3.571 ( -4.982 4.988 -7.971) 10.641 3.829 ( 9.176 5.762 3.351) 11.341 4.008 ( 3.311 0.111 1.429) 3.608 4.230 ( -3.617 -0.150 2.303) 4.291 4.539 ( 1.147 0.177 3.104) 3.314 5.143 ( 2.815 0.675 -4.579) 5.417 5.583 ( 4.496 -5.701 -6.614) 9.822 5.710 ( -2.701 -0.326 1.590) 3.151 5.915 ( 7.019 5.286 0.084) 8.787 6.128 ( 3.043 -1.854 -9.330) 9.987 6.402 ( -5.895 -0.632 -9.071) 10.837 6.551 ( -2.869 -4.192 0.021) 5.080 7.065 ( 4.014 -2.829 2.204) 5.383 7.237 ( 12.030 8.624 -4.074) 15.352 7.737 ( 8.942 -2.005 -4.188) 10.076 7.924 ( -2.354 -11.466 4.389) 12.501 8.104 ( -1.347 -0.854 -1.477) 2.174 8.284 ( 5.632 2.744 1.827) 6.525 8.406 ( 7.818 5.916 3.851) 10.534 8.814 ( 2.955 0.751 -4.005) 5.034 8.985 ( 5.539 0.884 -3.769) 6.758 9.310 ( -18.431 -0.321 2.614) 18.618 9.556 ( -20.338 1.496 5.026) 21.003 10.361 ( 7.065 -2.933 -10.386) 12.899 10.392 ( 1.788 -3.399 -5.046) 6.342 10.811 ( -3.659 1.562 -5.031) 6.414 10.983 ( 5.361 -2.751 -5.890) 8.426 11.400 ( 1.901 -4.766 19.511) 20.174 11.972 ( 5.620 2.503 0.287) 6.159 12.395 ( -1.202 -7.050 8.514) 11.119 12.741 ( 4.665 -11.357 3.625) 12.801 13.466 ( -0.821 7.915 3.384) 8.647 13.846 ( 7.656 1.347 5.118) 9.307 13.970 ( -1.765 1.194 4.112) 4.631 14.264 ( -7.807 0.412 2.310) 8.152 15.218 ( -24.273 -10.241 9.089) 27.868 16.211 ( 2.195 1.666 -1.418) 3.099 16.265 ( 5.711 0.621 -3.171) 6.562 17.096 ( -19.631 3.479 -23.330) 30.688 17.689 ( 2.835 -1.560 6.883) 7.605 17.793 ( 17.265 -6.571 15.795) 24.305 19.384 ( 6.855 8.853 -7.233) 13.330 19.471 ( 2.436 3.233 -5.165) 6.562 ======================= Grid point 189 (98/230) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 16.365 16.308 15.901) 28.046 2.240 ( 3.443 16.680 14.047) 22.077 2.465 ( 5.567 -4.752 16.041) 17.632 2.975 ( 6.302 -7.101 3.128) 9.996 3.143 ( -5.022 4.277 5.809) 8.790 3.479 ( -4.707 1.573 -10.651) 11.751 3.986 ( 5.056 -2.204 8.312) 9.975 4.076 ( -8.915 -0.022 7.098) 11.396 4.318 ( 8.090 7.165 1.864) 10.966 4.511 ( -7.930 -0.120 5.030) 9.392 5.267 ( 2.327 6.394 7.792) 10.345 5.468 ( 3.464 -6.940 -4.262) 8.850 5.711 ( -0.379 1.827 -6.482) 6.745 6.002 ( -5.745 -0.703 -6.053) 8.375 6.127 ( 4.798 -1.822 2.990) 5.939 6.153 ( -3.451 -2.688 -3.234) 5.440 6.539 ( 4.306 1.087 -1.695) 4.753 7.167 ( 7.785 0.195 -2.003) 8.041 7.526 ( 4.604 7.738 -6.145) 10.901 7.676 ( -5.575 -4.888 -0.011) 7.415 7.822 ( 6.303 -3.338 -2.727) 7.636 7.922 ( -4.929 -7.618 -1.935) 9.277 8.498 ( 9.990 0.200 -3.257) 10.510 8.746 ( 6.496 5.775 7.528) 11.499 8.791 ( -9.282 -1.377 -7.391) 11.945 8.976 ( 1.766 -1.268 -0.694) 2.282 9.108 ( 1.479 0.673 -4.222) 4.524 9.287 ( -15.939 2.281 10.862) 19.423 10.333 ( 1.146 -1.146 -5.704) 5.930 10.380 ( 4.933 -0.586 -9.872) 11.052 10.725 ( -6.607 2.844 -5.335) 8.956 10.972 ( 6.977 -4.275 -9.171) 12.291 11.538 ( 1.226 -0.417 25.003) 25.037 12.051 ( -3.870 3.022 1.403) 5.107 12.227 ( -6.440 -6.740 4.418) 10.316 12.657 ( 2.343 -5.777 2.907) 6.878 13.631 ( 1.468 5.235 6.886) 8.773 13.932 ( -3.632 1.841 -0.939) 4.179 14.111 ( 14.012 -0.659 -3.063) 14.358 14.255 ( 3.662 0.398 6.419) 7.401 14.694 ( -22.169 -2.609 15.173) 26.991 16.258 ( 0.486 1.212 0.574) 1.427 16.408 ( 6.049 2.317 -4.545) 7.913 16.720 ( -15.671 5.891 -18.709) 25.106 17.750 ( 0.845 -2.295 11.212) 11.475 18.042 ( 13.458 -5.307 9.601) 17.363 19.450 ( -0.976 2.771 -6.936) 7.533 19.532 ( 1.930 -0.201 -8.619) 8.835 ======================= Grid point 190 (99/230) ======================= q-point: ( 0.11 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 18.485 18.084 7.454) 26.912 2.435 ( 8.812 9.335 16.723) 21.082 2.697 ( 6.780 0.827 13.020) 14.703 3.023 ( -2.521 0.200 -5.282) 5.857 3.200 ( 3.916 -4.449 16.872) 17.883 3.351 ( -1.839 0.198 -6.423) 6.684 3.928 ( -6.973 -0.719 4.002) 8.072 4.147 ( -3.623 -5.306 8.378) 10.558 4.270 ( -2.141 -2.488 2.339) 4.030 4.601 ( 8.994 8.759 3.195) 12.955 5.351 ( -0.896 9.303 8.990) 12.968 5.507 ( 4.040 -6.011 -7.497) 10.424 5.644 ( -1.305 1.528 -6.841) 7.130 5.834 ( -6.628 -3.266 -4.770) 8.795 6.084 ( -2.008 -0.564 4.285) 4.766 6.275 ( 5.985 -1.547 1.780) 6.433 6.652 ( 7.689 1.990 -0.381) 7.951 7.242 ( 2.871 2.843 -9.727) 10.533 7.467 ( -6.731 8.004 0.288) 10.462 7.602 ( -2.230 -1.535 -1.320) 3.012 7.826 ( -2.100 -10.465 -2.368) 10.933 7.873 ( -1.026 -6.148 -1.235) 6.354 8.456 ( -13.086 -5.365 -2.460) 14.355 8.648 ( 7.406 -0.787 -6.137) 9.651 8.864 ( -2.137 1.517 -1.048) 2.823 8.967 ( -3.341 0.124 -2.063) 3.928 9.171 ( 10.441 2.082 -3.224) 11.124 9.276 ( 4.438 3.052 10.704) 11.982 10.298 ( -1.778 -0.142 -1.928) 2.627 10.393 ( 2.088 -0.497 -7.853) 8.141 10.570 ( -3.932 2.153 -6.063) 7.541 11.038 ( 5.987 -3.650 -9.803) 12.053 11.651 ( -6.964 3.186 19.411) 20.867 11.908 ( -10.367 4.852 1.355) 11.526 12.142 ( -4.968 -9.746 7.097) 13.040 12.712 ( 1.575 -4.995 2.166) 5.667 13.682 ( -2.138 6.147 6.715) 9.351 13.892 ( 0.229 0.477 1.418) 1.513 14.279 ( -3.129 0.294 3.803) 4.933 14.391 ( 5.150 1.777 4.029) 6.776 14.592 ( 9.391 -0.152 8.051) 12.371 16.245 ( -3.135 5.097 -4.628) 7.565 16.358 ( -7.032 4.329 -11.365) 14.048 16.469 ( 1.797 1.172 -1.527) 2.633 17.814 ( -1.753 -2.038 9.520) 9.892 18.331 ( 10.111 -4.943 8.087) 13.859 19.369 ( -2.091 3.093 -7.594) 8.463 19.481 ( -0.858 -2.636 -8.530) 8.969 ======================= Grid point 191 (100/230) ======================= q-point: ( 0.22 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( 10.224 20.505 4.203) 23.295 2.741 ( -1.247 3.503 6.701) 7.664 2.908 ( 3.424 6.001 14.605) 16.156 2.951 ( 10.050 -4.849 -2.953) 11.543 3.264 ( 2.809 -1.214 -10.768) 11.194 3.458 ( 3.846 -5.590 21.329) 22.382 3.830 ( -6.197 2.037 1.657) 6.730 4.052 ( -3.097 -12.913 5.789) 14.486 4.357 ( 3.116 0.774 1.403) 3.504 4.770 ( 6.182 11.832 0.582) 13.362 5.326 ( -6.070 9.490 5.096) 12.364 5.466 ( -4.687 -0.553 -7.329) 8.717 5.576 ( 0.631 -3.110 -7.025) 7.708 5.760 ( -0.288 -2.239 2.079) 3.069 6.089 ( -0.883 -1.219 3.641) 3.939 6.385 ( 2.871 -1.178 4.069) 5.117 6.774 ( 4.166 1.820 -1.283) 4.724 7.104 ( -6.456 7.295 -11.685) 15.213 7.434 ( -1.510 5.067 -1.123) 5.405 7.494 ( -4.436 -0.609 2.044) 4.922 7.753 ( -7.459 -9.406 -6.211) 13.516 7.826 ( 0.985 -11.177 2.596) 11.516 8.279 ( -4.693 -4.684 -1.292) 6.755 8.687 ( 0.689 0.755 -4.861) 4.967 8.878 ( -0.283 -0.030 -6.785) 6.791 8.887 ( 7.629 -3.701 -3.538) 9.188 9.347 ( 7.146 2.816 -0.927) 7.736 9.426 ( 3.559 3.319 3.943) 6.263 10.242 ( -3.224 1.108 0.448) 3.439 10.345 ( -2.623 -2.072 -0.357) 3.362 10.544 ( 5.493 1.836 -7.646) 9.592 11.051 ( 1.198 -3.489 -7.579) 8.429 11.499 ( -18.906 1.476 15.450) 24.461 11.777 ( -3.970 9.338 1.780) 10.302 12.136 ( -2.336 -10.581 8.828) 13.977 12.742 ( 0.535 -3.953 0.225) 3.995 13.644 ( -5.783 6.150 6.516) 10.664 13.958 ( 4.776 0.204 3.621) 5.997 14.206 ( -8.183 2.890 14.342) 16.763 14.457 ( 0.272 3.375 -0.700) 3.458 14.957 ( 22.326 0.406 -3.458) 22.596 16.078 ( -3.748 7.987 -9.396) 12.889 16.300 ( -0.757 -0.303 0.614) 1.021 16.482 ( 0.883 0.938 -1.430) 1.925 17.812 ( -3.613 -1.306 5.286) 6.535 18.529 ( 5.195 -2.594 6.785) 8.930 19.269 ( -2.257 2.553 -9.689) 10.270 19.408 ( -1.099 -4.138 -5.702) 7.130 ======================= Grid point 192 (101/230) ======================= q-point: ( 0.33 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( -12.162 2.879 -2.260) 12.701 2.775 ( 2.561 13.181 -1.533) 13.515 3.000 ( 3.426 2.083 9.707) 10.503 3.276 ( 5.416 -0.387 -6.585) 8.536 3.326 ( 15.577 -1.975 9.237) 18.217 3.626 ( 0.244 -4.971 12.879) 13.807 3.737 ( -3.919 1.089 2.521) 4.785 4.121 ( 5.042 -6.501 2.032) 8.474 4.358 ( -2.340 2.553 -1.750) 3.880 4.783 ( -4.939 6.974 -2.584) 8.928 5.257 ( -0.331 7.054 -1.367) 7.193 5.318 ( -5.550 4.785 -3.956) 8.328 5.538 ( -0.880 -2.027 -4.602) 5.105 5.785 ( -0.995 1.245 4.408) 4.687 6.086 ( -0.910 -4.840 0.443) 4.945 6.401 ( -6.076 -0.315 8.027) 10.072 6.793 ( 0.024 0.927 -0.759) 1.199 6.945 ( -0.851 6.705 -13.955) 15.505 7.271 ( -7.514 -0.970 -3.191) 8.221 7.497 ( -7.336 -5.415 -0.277) 9.123 7.609 ( 2.983 -3.380 -6.351) 7.788 7.921 ( 5.943 -6.143 7.212) 11.184 8.194 ( -3.828 -3.818 -2.051) 5.782 8.668 ( 1.199 1.315 -4.923) 5.234 8.899 ( 6.377 -1.865 -1.155) 6.744 9.078 ( 12.926 -4.759 -3.508) 14.214 9.394 ( -0.218 3.478 -5.727) 6.704 9.423 ( -2.951 2.945 -5.475) 6.882 10.208 ( -1.239 0.961 3.437) 3.777 10.324 ( -0.538 -3.322 3.002) 4.510 10.648 ( 8.789 2.129 -2.975) 9.520 10.978 ( -4.228 -3.065 -4.688) 7.018 11.236 ( -18.482 0.311 15.881) 24.370 11.755 ( -0.324 9.892 2.495) 10.207 12.140 ( -3.077 -10.297 6.645) 12.635 12.735 ( -0.625 -3.301 -2.006) 3.913 13.575 ( -5.508 5.809 6.507) 10.316 14.104 ( 4.811 1.850 6.226) 8.083 14.158 ( -6.765 3.368 14.138) 16.031 14.405 ( -2.335 3.642 -4.507) 6.247 15.335 ( 19.926 1.265 -6.035) 20.858 16.001 ( -0.017 5.144 -5.727) 7.698 16.287 ( -1.614 -0.492 2.177) 2.754 16.505 ( 2.420 1.481 0.714) 2.925 17.751 ( -4.686 -0.159 0.497) 4.715 18.608 ( -1.061 -0.592 3.507) 3.712 19.169 ( 0.032 -0.559 -10.880) 10.894 19.371 ( 0.044 -2.548 -2.495) 3.567 ======================= Grid point 193 (102/230) ======================= q-point: (-0.56 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( -11.542 2.683 -0.869) 11.882 2.742 ( -3.485 0.609 -1.379) 3.797 3.079 ( 1.495 5.244 -4.135) 6.843 3.377 ( 1.534 2.440 8.554) 9.027 3.534 ( -3.529 -2.660 2.973) 5.326 3.645 ( 0.630 0.435 1.208) 1.430 3.735 ( 1.485 1.486 2.635) 3.370 4.112 ( -6.756 1.798 -0.840) 7.041 4.343 ( 0.934 -1.669 0.334) 1.941 4.671 ( -0.265 -1.417 -4.302) 4.537 5.180 ( -0.712 6.395 -7.589) 9.950 5.336 ( 5.747 8.818 0.994) 10.573 5.499 ( -0.267 2.554 -2.035) 3.276 5.741 ( -5.745 4.273 1.585) 7.333 6.079 ( -0.437 -7.112 1.718) 7.330 6.296 ( -9.308 -2.048 9.284) 13.305 6.770 ( -2.607 -0.434 -2.277) 3.488 6.873 ( 3.839 3.214 -15.028) 15.840 7.154 ( -2.621 -1.399 -2.956) 4.191 7.321 ( -5.780 -6.786 -6.539) 11.055 7.674 ( 4.078 0.018 1.292) 4.278 8.106 ( -1.914 -8.496 1.870) 8.907 8.129 ( 7.264 0.271 4.525) 8.562 8.662 ( 1.334 1.459 -4.782) 5.175 9.037 ( 2.586 0.130 2.025) 3.287 9.227 ( -5.882 4.374 -10.253) 12.603 9.301 ( 6.439 -0.965 -4.194) 7.744 9.377 ( 10.053 -3.493 -9.059) 13.976 10.235 ( -0.244 0.005 6.682) 6.686 10.356 ( 1.249 -3.516 3.573) 5.166 10.814 ( 7.825 1.957 0.005) 8.066 10.848 ( -5.365 -2.554 -3.609) 6.952 11.027 ( -14.450 -0.249 18.065) 23.135 11.771 ( -0.768 9.117 2.645) 9.524 12.118 ( -2.288 -10.058 4.181) 11.130 12.695 ( -1.323 -3.072 -3.665) 4.962 13.532 ( -3.427 5.821 6.090) 9.095 14.072 ( -9.487 4.454 12.572) 16.367 14.160 ( -4.352 2.656 -0.215) 5.103 14.433 ( 6.680 1.685 3.151) 7.576 15.625 ( 14.545 1.625 -6.607) 16.058 15.962 ( -0.197 2.374 -5.884) 6.348 16.268 ( -3.011 -0.192 5.022) 5.858 16.600 ( 6.027 2.830 3.476) 7.511 17.644 ( -5.284 0.573 -3.113) 6.160 18.530 ( -6.551 -1.681 -4.088) 7.903 19.146 ( 3.838 -1.181 -7.233) 8.273 19.372 ( 1.246 -0.573 -1.135) 1.780 ======================= Grid point 194 (103/230) ======================= q-point: (-0.44 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( -8.496 4.828 1.924) 9.959 2.648 ( -5.083 -6.767 -3.138) 9.026 2.981 ( -8.727 5.711 -6.362) 12.217 3.173 ( -22.267 0.962 -1.553) 22.342 3.476 ( -5.340 -1.041 8.191) 9.833 3.694 ( 1.436 3.326 -0.293) 3.635 3.706 ( -2.759 6.710 0.330) 7.262 4.058 ( 3.358 -5.211 -3.935) 7.343 4.356 ( 1.131 0.359 3.388) 3.590 4.603 ( -5.383 0.913 -8.072) 9.745 5.278 ( 10.170 9.614 1.197) 14.046 5.427 ( 1.753 9.603 -0.240) 9.764 5.570 ( 10.087 1.544 -1.080) 10.262 5.632 ( -2.897 2.771 -0.928) 4.115 6.026 ( -9.144 -2.002 6.530) 11.413 6.271 ( 3.035 -8.830 5.689) 10.934 6.668 ( -4.364 0.430 -4.789) 6.493 6.860 ( 4.662 1.634 -15.944) 16.692 7.120 ( 0.351 -1.795 -2.886) 3.417 7.221 ( -0.608 -5.974 -3.512) 6.957 7.765 ( 3.272 0.615 2.845) 4.379 8.055 ( -1.536 -8.931 -0.245) 9.065 8.324 ( 6.625 -0.038 5.990) 8.931 8.634 ( -1.264 1.464 -6.310) 6.599 8.935 ( -6.720 3.724 -5.566) 9.487 8.995 ( -8.816 4.937 -8.022) 12.901 9.509 ( 15.286 -1.228 -2.520) 15.541 9.618 ( 16.489 -5.751 -6.055) 18.482 10.238 ( -6.289 -1.453 7.751) 10.087 10.405 ( 0.280 -2.579 4.548) 5.235 10.745 ( -1.636 -2.650 -3.111) 4.402 10.817 ( -7.586 -1.334 7.783) 10.950 11.055 ( 3.758 3.010 11.782) 12.728 11.741 ( -3.117 5.115 0.992) 6.072 12.132 ( 1.112 -7.020 3.381) 7.871 12.640 ( -1.606 -3.160 -4.104) 5.423 13.527 ( -1.144 6.194 5.182) 8.157 13.961 ( -9.282 4.579 8.995) 13.712 14.055 ( -5.751 0.896 1.350) 5.974 14.579 ( 3.073 1.023 6.102) 6.908 15.782 ( 5.392 2.491 -5.749) 8.266 15.939 ( 3.481 0.216 -6.607) 7.471 16.233 ( -4.915 -0.201 7.061) 8.606 16.773 ( 8.583 3.936 5.366) 10.861 17.526 ( -3.923 0.168 -3.657) 5.366 18.326 ( -9.013 -4.167 -10.842) 14.702 19.202 ( 5.753 0.705 -4.229) 7.175 19.401 ( 2.553 0.831 -0.956) 2.850 ======================= Grid point 195 (104/230) ======================= q-point: (-0.33 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( -4.938 8.372 5.318) 11.080 2.396 ( -21.386 1.053 -8.011) 22.862 2.675 ( -17.392 -4.832 1.973) 18.159 2.826 ( -7.996 0.195 -1.976) 8.239 3.391 ( -7.251 0.448 5.220) 8.945 3.676 ( 1.516 6.150 1.993) 6.641 3.744 ( 1.550 -0.415 -0.632) 1.725 4.071 ( 0.634 -1.904 -8.915) 9.138 4.422 ( -4.554 1.377 -5.006) 6.906 4.457 ( 2.852 5.328 6.994) 9.243 5.338 ( -4.406 12.166 2.741) 13.226 5.462 ( 1.901 3.649 -3.726) 5.551 5.639 ( 6.770 3.214 -0.005) 7.495 5.797 ( -2.666 -5.273 8.533) 10.379 5.965 ( 10.577 2.263 -2.072) 11.013 6.431 ( 7.817 -5.811 3.143) 10.235 6.571 ( -3.495 -0.018 -0.300) 3.508 6.832 ( 4.247 0.053 -13.902) 14.537 7.078 ( -0.299 -1.458 -6.795) 6.956 7.284 ( 8.272 -5.629 -1.715) 10.151 7.811 ( -0.005 -0.706 0.861) 1.113 8.055 ( 1.158 -9.081 0.853) 9.195 8.432 ( 0.996 3.142 2.035) 3.874 8.502 ( -6.367 3.825 -7.768) 10.748 8.833 ( -0.759 1.860 -2.592) 3.280 8.846 ( -1.125 3.265 -4.581) 5.737 9.741 ( 7.938 0.935 -1.971) 8.232 9.895 ( 16.905 -5.616 -8.178) 19.600 10.080 ( -12.538 -3.162 2.735) 13.217 10.385 ( -6.660 -1.140 7.474) 10.075 10.752 ( 3.545 -2.905 -2.762) 5.351 10.795 ( -0.553 -1.598 11.113) 11.240 11.174 ( 0.010 2.262 8.926) 9.208 11.722 ( 1.917 2.003 1.380) 3.097 12.192 ( 2.512 -4.367 2.723) 5.727 12.586 ( -1.229 -3.397 -2.864) 4.610 13.557 ( 1.069 6.625 3.723) 7.674 13.852 ( -8.232 3.597 9.023) 12.733 13.977 ( -3.549 -0.268 2.800) 4.528 14.591 ( -5.972 -0.067 4.885) 7.715 15.746 ( -6.995 2.022 -1.733) 7.485 15.998 ( 6.683 -1.415 -5.718) 8.908 16.199 ( -1.723 0.264 4.182) 4.531 16.995 ( 10.412 3.848 6.488) 12.857 17.471 ( -0.242 -0.916 0.062) 0.949 18.047 ( -10.873 -4.658 -14.836) 18.974 19.299 ( 6.880 2.522 -3.590) 8.160 19.452 ( 3.464 1.756 -1.739) 4.256 ======================= Grid point 196 (105/230) ======================= q-point: (-0.22 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -21.480 11.823 -1.582) 24.570 2.032 ( -3.210 12.635 11.158) 17.160 2.409 ( -12.482 -9.210 6.622) 16.866 2.786 ( 2.084 -4.611 -0.480) 5.083 3.291 ( -6.396 2.066 4.471) 8.072 3.744 ( 0.595 0.792 5.090) 5.185 3.772 ( 4.544 3.409 -7.675) 9.548 3.980 ( -1.551 0.738 -4.254) 4.588 4.319 ( -5.067 1.211 2.495) 5.777 4.580 ( 2.948 7.890 5.767) 10.208 5.244 ( -5.637 8.327 2.468) 10.355 5.466 ( 0.686 -1.871 -2.600) 3.276 5.730 ( -1.092 -3.261 0.337) 3.455 5.799 ( 6.210 0.983 3.757) 7.324 6.169 ( 6.830 4.464 -5.089) 9.616 6.487 ( 1.439 -1.273 -8.307) 8.526 6.517 ( -6.070 -4.250 4.132) 8.484 6.879 ( 5.039 -7.353 -1.793) 9.092 7.142 ( 14.416 7.130 -7.062) 17.565 7.470 ( 11.860 -5.569 -2.814) 13.401 7.791 ( -1.579 -3.350 -0.636) 3.757 8.083 ( 0.478 -7.589 -0.517) 7.622 8.335 ( -3.840 5.680 -4.682) 8.302 8.450 ( 1.014 5.427 0.212) 5.525 8.820 ( 1.494 2.237 -3.291) 4.251 8.891 ( 5.114 -0.163 0.430) 5.134 9.663 ( -15.652 2.067 0.149) 15.788 9.851 ( -10.945 -2.840 0.212) 11.310 10.155 ( 14.309 -3.436 -9.463) 17.495 10.327 ( -1.236 -1.801 2.195) 3.097 10.806 ( 4.339 -2.611 -4.757) 6.948 10.905 ( 3.026 -0.811 7.447) 8.079 11.192 ( -3.996 -0.965 14.937) 15.493 11.848 ( 8.626 1.671 2.682) 9.186 12.253 ( 1.725 -3.739 2.460) 4.797 12.564 ( 0.160 -3.784 -0.257) 3.796 13.600 ( 0.091 6.246 2.657) 6.789 13.791 ( -2.927 2.306 8.228) 9.033 13.963 ( -0.438 0.023 4.106) 4.129 14.439 ( -11.347 -0.862 2.420) 11.635 15.482 ( -20.244 -2.721 3.995) 20.813 16.129 ( 10.363 0.593 -5.641) 11.814 16.218 ( 1.058 0.694 1.345) 1.846 17.241 ( 9.820 1.068 2.832) 10.276 17.515 ( 2.503 -1.397 5.744) 6.419 17.730 ( -10.438 -2.276 -12.671) 16.573 19.407 ( 6.933 3.177 -4.498) 8.854 19.501 ( 3.322 2.274 -3.638) 5.426 ======================= Grid point 197 (106/230) ======================= q-point: (-0.11 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -2.679 17.539 11.952) 21.393 2.103 ( 0.901 15.505 13.697) 20.708 2.327 ( -2.828 -7.853 13.538) 15.904 2.855 ( 5.093 -6.666 -0.268) 8.393 3.210 ( -5.454 3.623 4.639) 8.024 3.656 ( -5.177 2.928 -11.553) 12.994 3.837 ( 4.561 -2.559 4.021) 6.597 4.090 ( 9.038 5.659 6.229) 12.349 4.222 ( -8.659 1.351 6.809) 11.098 4.612 ( -3.253 5.700 3.460) 7.419 5.202 ( -0.645 5.868 4.304) 7.306 5.454 ( 0.297 -6.625 -2.253) 7.004 5.729 ( 1.073 0.299 -2.112) 2.388 5.961 ( 8.049 -0.997 2.437) 8.469 6.138 ( -2.954 2.875 -8.751) 9.673 6.336 ( -8.596 -4.875 -6.352) 11.747 6.500 ( 1.335 -1.306 -1.279) 2.263 7.006 ( 8.113 -2.683 1.568) 8.688 7.403 ( 13.193 8.107 -5.692) 16.498 7.668 ( 10.173 -5.726 -2.880) 12.023 7.755 ( -1.630 -4.381 -0.828) 4.748 8.033 ( -4.238 -5.648 -2.658) 7.545 8.337 ( 6.277 2.839 -1.301) 7.011 8.534 ( 7.087 5.826 3.272) 9.740 8.844 ( 3.432 2.251 -3.696) 5.523 8.991 ( 4.536 -0.281 -1.839) 4.903 9.298 ( -19.862 -0.823 0.395) 19.883 9.584 ( -18.362 1.231 5.981) 19.351 10.306 ( 7.688 -2.328 -9.069) 12.115 10.348 ( 3.987 -1.454 -6.517) 7.777 10.835 ( 1.182 0.705 -6.621) 6.763 10.932 ( 0.732 -2.125 -4.054) 4.636 11.320 ( 1.704 -3.238 26.771) 27.020 12.019 ( 5.779 2.287 2.054) 6.545 12.278 ( -1.454 -4.804 3.197) 5.951 12.593 ( 2.126 -4.799 2.067) 5.642 13.591 ( -2.028 4.710 4.984) 7.151 13.878 ( 7.160 2.024 2.515) 7.854 13.999 ( 0.420 1.419 3.406) 3.713 14.250 ( -7.909 -1.432 2.835) 8.523 15.080 ( -25.110 -4.558 9.014) 27.065 16.240 ( 1.182 1.084 0.393) 1.652 16.292 ( 9.020 1.639 -4.530) 10.226 17.145 ( -12.853 1.850 -19.404) 23.348 17.644 ( 2.517 -2.893 9.766) 10.492 17.718 ( 11.635 -1.701 9.080) 14.856 19.479 ( 3.196 2.949 -5.533) 7.037 19.527 ( 3.446 1.652 -6.865) 7.857 ======================= Grid point 198 (107/230) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 14.951 -0.000 14.551) 20.863 2.219 ( 5.641 0.000 15.454) 16.451 2.665 ( 7.632 0.000 20.354) 21.738 2.766 ( 7.320 -0.000 -8.716) 11.382 3.172 ( -5.188 0.000 3.823) 6.444 3.487 ( -4.411 0.000 -13.711) 14.404 3.961 ( 6.870 0.000 8.972) 11.300 4.081 ( -13.437 0.000 10.022) 16.763 4.430 ( 12.589 0.000 6.808) 14.312 4.491 ( -15.114 0.000 1.715) 15.211 5.370 ( -1.069 -0.000 17.751) 17.783 5.373 ( 6.634 0.000 -8.608) 10.868 5.728 ( 0.998 0.000 -7.752) 7.816 5.974 ( -7.245 -0.000 -6.018) 9.418 6.118 ( 6.389 -0.000 2.490) 6.857 6.120 ( -5.090 0.000 -0.975) 5.182 6.550 ( 4.833 0.000 -1.042) 4.944 7.168 ( 9.229 0.000 -2.158) 9.478 7.611 ( 1.556 -0.000 -4.662) 4.915 7.641 ( 1.925 -0.000 -6.117) 6.413 7.782 ( 4.863 0.000 -1.982) 5.252 7.832 ( -6.978 0.000 -2.358) 7.366 8.498 ( 9.836 0.000 -4.595) 10.856 8.774 ( -17.366 0.000 -6.328) 18.483 8.817 ( 8.535 0.000 8.946) 12.364 8.954 ( 4.113 -0.000 -2.607) 4.870 9.115 ( 1.899 0.000 -4.468) 4.855 9.311 ( -15.301 0.000 11.055) 18.877 10.322 ( 1.574 0.000 -5.521) 5.741 10.374 ( 5.468 0.000 -10.521) 11.857 10.761 ( -7.572 0.000 -5.154) 9.159 10.921 ( 7.979 -0.000 -9.468) 12.382 11.533 ( 1.766 0.000 29.679) 29.731 12.085 ( -4.381 0.000 2.499) 5.043 12.159 ( -5.985 0.000 0.487) 6.005 12.604 ( 2.370 -0.000 2.824) 3.687 13.682 ( 2.039 0.000 7.131) 7.417 13.956 ( -5.137 -0.000 -1.222) 5.280 14.099 ( 13.934 0.000 -3.791) 14.441 14.258 ( 4.894 0.000 7.291) 8.781 14.671 ( -20.351 0.000 14.316) 24.882 16.270 ( 0.620 -0.000 0.995) 1.172 16.430 ( 5.683 0.000 -3.625) 6.740 16.777 ( -14.124 0.000 -19.313) 23.927 17.725 ( 0.869 0.000 11.762) 11.794 17.993 ( 12.890 -0.000 8.765) 15.588 19.486 ( -0.930 0.000 -7.626) 7.683 19.520 ( 0.852 -0.000 -7.735) 7.782 ======================= Grid point 200 (108/230) ======================= q-point: ( 0.11 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 9.216 -0.000 14.465) 17.151 2.569 ( 18.645 0.000 10.531) 21.413 2.870 ( 9.067 -0.000 -8.426) 12.378 2.951 ( 6.795 0.000 11.913) 13.715 3.098 ( -5.449 0.000 12.864) 13.971 3.341 ( -1.902 -0.000 -10.823) 10.989 3.911 ( -9.829 0.000 9.686) 13.799 4.104 ( -7.629 -0.000 7.913) 10.992 4.247 ( -1.614 0.000 2.402) 2.895 4.706 ( 11.632 -0.000 5.000) 12.660 5.429 ( 5.509 0.000 -11.280) 12.553 5.476 ( -1.271 -0.000 15.360) 15.413 5.683 ( 0.455 0.000 -4.952) 4.972 5.763 ( -9.658 0.000 -7.241) 12.071 6.076 ( -2.283 0.000 6.421) 6.815 6.257 ( 5.910 0.000 2.040) 6.252 6.670 ( 7.296 0.000 0.749) 7.334 7.268 ( 4.094 -0.000 -9.214) 10.083 7.585 ( -3.651 -0.000 -1.078) 3.806 7.606 ( 1.100 0.000 -1.975) 2.261 7.687 ( -6.593 0.000 -3.690) 7.555 7.794 ( -2.625 0.000 -3.322) 4.234 8.403 ( -14.311 0.000 -2.326) 14.499 8.638 ( 8.184 0.000 -6.056) 10.181 8.878 ( -6.864 0.000 -2.955) 7.473 8.969 ( -0.790 -0.000 -1.089) 1.345 9.190 ( 10.973 0.000 -3.374) 11.480 9.310 ( 4.595 0.000 10.880) 11.810 10.296 ( -1.701 0.000 -0.444) 1.758 10.388 ( 2.405 0.000 -9.912) 10.200 10.593 ( -4.378 0.000 -6.070) 7.484 10.997 ( 6.243 -0.000 -9.640) 11.485 11.687 ( -8.776 0.000 26.062) 27.500 11.970 ( -5.813 0.000 3.894) 6.997 12.027 ( -7.200 -0.000 -0.079) 7.200 12.666 ( 2.248 -0.000 1.821) 2.893 13.747 ( -1.714 -0.000 7.192) 7.394 13.893 ( -0.499 0.000 0.795) 0.939 14.279 ( -0.644 0.000 2.684) 2.760 14.411 ( 5.362 0.000 4.782) 7.185 14.590 ( 9.379 0.000 8.386) 12.581 16.285 ( 0.175 -0.000 0.999) 1.014 16.409 ( -10.811 0.000 -16.378) 19.624 16.482 ( 2.170 0.000 -2.658) 3.431 17.793 ( -1.464 0.000 9.552) 9.663 18.282 ( 10.744 -0.000 8.324) 13.591 19.414 ( -1.193 0.000 -6.300) 6.412 19.442 ( -2.751 -0.000 -9.696) 10.078 ======================= Grid point 202 (109/230) ======================= q-point: ( 0.22 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( 10.998 -0.000 10.974) 15.536 2.862 ( -7.306 0.000 -9.854) 12.267 2.960 ( 5.239 0.000 -5.855) 7.857 2.963 ( 12.647 -0.000 12.843) 18.025 3.271 ( 1.072 0.000 -7.437) 7.514 3.313 ( 5.977 -0.000 22.990) 23.754 3.882 ( -12.176 0.000 4.442) 12.961 3.884 ( 2.641 -0.000 4.537) 5.249 4.366 ( 3.930 0.000 3.632) 5.352 4.913 ( 5.476 0.000 3.492) 6.495 5.436 ( 4.003 0.000 -10.552) 11.286 5.466 ( -10.722 -0.000 9.690) 14.452 5.540 ( -5.105 0.000 -8.268) 9.717 5.706 ( 2.272 0.000 1.949) 2.993 6.084 ( -2.264 0.000 6.624) 7.000 6.368 ( 3.112 -0.000 3.704) 4.837 6.789 ( 3.429 0.000 0.141) 3.432 7.184 ( -3.487 -0.000 -13.268) 13.718 7.488 ( -10.722 -0.000 -3.688) 11.339 7.558 ( -0.487 -0.000 2.559) 2.605 7.623 ( -4.841 0.000 -7.464) 8.896 7.672 ( 0.693 0.000 5.217) 5.263 8.232 ( -3.708 0.000 -1.513) 4.005 8.693 ( 1.155 0.000 -5.355) 5.478 8.846 ( 7.719 0.000 -4.396) 8.883 8.883 ( -1.485 -0.000 -8.458) 8.587 9.375 ( 7.463 0.000 -0.665) 7.493 9.462 ( 3.411 0.000 4.462) 5.617 10.257 ( -3.081 0.000 2.753) 4.132 10.319 ( -3.130 -0.000 -3.341) 4.578 10.563 ( 5.506 0.000 -7.720) 9.482 11.013 ( 1.352 -0.000 -7.760) 7.877 11.515 ( -20.504 0.000 17.920) 27.231 11.915 ( -3.782 0.000 -0.107) 3.783 11.985 ( -1.059 -0.000 9.994) 10.050 12.705 ( 1.068 0.000 -0.090) 1.072 13.709 ( -6.045 -0.000 6.235) 8.685 13.955 ( 5.186 0.000 3.874) 6.473 14.234 ( -7.136 0.000 13.635) 15.389 14.489 ( 0.669 0.000 -0.281) 0.725 14.962 ( 22.634 0.000 -2.773) 22.804 16.166 ( -4.507 0.000 -11.769) 12.603 16.287 ( -0.709 0.000 1.260) 1.446 16.492 ( 0.817 0.000 -1.257) 1.499 17.799 ( -2.966 0.000 5.095) 5.895 18.502 ( 6.307 0.000 7.395) 9.719 19.297 ( -4.340 0.000 -11.534) 12.324 19.366 ( -0.164 0.000 -3.668) 3.671 ======================= Grid point 204 (110/230) ======================= q-point: ( 0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( -11.686 0.000 -6.885) 13.563 2.859 ( -4.820 0.000 1.816) 5.151 3.104 ( 10.195 0.000 -6.728) 12.215 3.256 ( 8.091 0.000 12.937) 15.259 3.325 ( 10.179 0.000 1.015) 10.229 3.516 ( 1.480 -0.000 12.855) 12.940 3.749 ( -4.209 0.000 2.065) 4.689 4.050 ( 10.853 -0.000 1.252) 10.925 4.390 ( -2.250 0.000 -0.275) 2.267 4.855 ( -13.088 0.000 0.254) 13.091 5.376 ( 1.644 -0.000 1.109) 1.982 5.401 ( -6.781 0.000 -4.941) 8.390 5.463 ( 4.093 -0.000 -4.694) 6.227 5.762 ( 0.801 0.000 3.695) 3.781 6.058 ( -3.847 0.000 3.132) 4.961 6.388 ( -5.935 -0.000 7.900) 9.881 6.805 ( -0.256 0.000 -0.934) 0.968 7.017 ( -3.843 -0.000 -12.651) 13.222 7.260 ( -8.902 0.000 -2.917) 9.367 7.426 ( -6.049 0.000 -11.318) 12.833 7.599 ( 2.314 -0.000 3.343) 4.066 7.844 ( 8.568 0.000 9.092) 12.493 8.158 ( -3.210 0.000 -3.747) 4.934 8.680 ( 1.785 0.000 -5.686) 5.960 8.882 ( 6.407 -0.000 -3.272) 7.194 9.030 ( 13.247 0.000 -4.148) 13.881 9.428 ( 0.414 0.000 -6.506) 6.519 9.457 ( -4.076 0.000 -3.744) 5.535 10.230 ( -2.348 0.000 5.772) 6.232 10.278 ( 0.050 -0.000 0.095) 0.108 10.669 ( 9.063 0.000 -3.308) 9.648 10.944 ( -3.294 -0.000 -6.420) 7.216 11.241 ( -20.216 0.000 19.062) 27.786 11.894 ( 1.082 0.000 1.290) 1.684 11.995 ( -4.315 -0.000 7.282) 8.465 12.704 ( -0.330 0.000 -2.226) 2.250 13.635 ( -5.454 0.000 5.909) 8.042 14.120 ( 6.948 0.000 6.597) 9.581 14.189 ( -8.078 0.000 14.737) 16.806 14.441 ( -2.693 0.000 -4.841) 5.539 15.349 ( 20.165 0.000 -5.748) 20.969 16.055 ( -0.807 0.000 -8.736) 8.773 16.278 ( -1.571 0.000 2.814) 3.222 16.521 ( 2.839 0.000 1.213) 3.087 17.750 ( -4.026 0.000 0.270) 4.035 18.602 ( -0.623 0.000 3.905) 3.955 19.153 ( -1.398 0.000 -11.238) 11.325 19.356 ( 0.856 0.000 -1.612) 1.825 ======================= Grid point 206 (111/230) ======================= q-point: (-0.56 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( -9.406 0.000 -4.721) 10.524 2.728 ( -8.537 0.000 0.656) 8.562 3.144 ( 2.508 0.000 -11.614) 11.882 3.434 ( -0.983 0.000 16.203) 16.233 3.514 ( -7.954 0.000 3.513) 8.695 3.617 ( 14.642 0.000 1.479) 14.717 3.714 ( 1.020 -0.000 -5.343) 5.440 4.154 ( -7.168 -0.000 1.767) 7.383 4.326 ( -2.617 0.000 0.856) 2.753 4.652 ( -0.645 0.000 -2.270) 2.360 5.254 ( -1.642 0.000 -6.034) 6.253 5.471 ( 6.081 -0.000 0.149) 6.083 5.514 ( 2.915 0.000 -0.966) 3.071 5.755 ( -4.173 0.000 1.411) 4.405 6.018 ( -0.309 -0.000 1.938) 1.962 6.256 ( -13.995 0.000 11.695) 18.238 6.778 ( -1.774 0.000 -2.627) 3.170 6.893 ( 0.367 0.000 -12.622) 12.627 7.137 ( -2.606 0.000 -1.880) 3.214 7.256 ( -3.358 0.000 -11.454) 11.936 7.689 ( 4.200 0.000 4.462) 6.128 8.006 ( -1.185 0.000 0.003) 1.185 8.133 ( 6.480 0.000 4.255) 7.752 8.676 ( 1.468 0.000 -5.482) 5.675 9.036 ( 5.946 0.000 1.677) 6.178 9.263 ( 6.125 0.000 -8.918) 10.819 9.297 ( -0.185 -0.000 -2.560) 2.567 9.351 ( 2.421 0.000 -12.625) 12.855 10.244 ( -1.917 0.000 8.642) 8.852 10.311 ( 2.770 -0.000 0.990) 2.942 10.818 ( -4.482 -0.000 -6.978) 8.294 10.832 ( 7.117 0.000 -0.365) 7.126 11.030 ( -14.954 0.000 22.544) 27.053 11.920 ( -6.967 0.000 3.286) 7.703 11.958 ( 3.728 -0.000 2.760) 4.638 12.667 ( -1.261 0.000 -3.787) 3.991 13.591 ( -3.133 0.000 5.536) 6.361 14.116 ( -9.636 0.000 13.611) 16.677 14.184 ( -4.894 0.000 0.613) 4.933 14.447 ( 6.578 0.000 1.737) 6.803 15.642 ( 14.750 0.000 -6.690) 16.196 15.986 ( -0.499 0.000 -8.561) 8.576 16.265 ( -3.014 0.000 5.715) 6.462 16.629 ( 6.601 0.000 3.748) 7.591 17.651 ( -5.080 0.000 -3.399) 6.112 18.514 ( -7.707 0.000 -4.730) 9.042 19.124 ( 4.239 0.000 -5.973) 7.324 19.374 ( 1.818 0.000 -0.723) 1.956 ======================= Grid point 208 (112/230) ======================= q-point: (-0.44 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( -4.721 0.000 -2.732) 5.454 2.563 ( -8.669 0.000 -0.264) 8.673 3.038 ( -7.308 0.000 -7.634) 10.568 3.179 ( -23.519 0.000 -3.831) 23.829 3.474 ( -5.503 0.000 9.099) 10.633 3.723 ( 2.478 0.000 -3.413) 4.218 3.773 ( -2.030 0.000 0.563) 2.106 3.998 ( 1.267 0.000 -3.486) 3.709 4.359 ( 3.494 0.000 6.515) 7.393 4.613 ( -4.458 0.000 -8.677) 9.755 5.396 ( 16.054 0.000 2.894) 16.313 5.555 ( 1.529 0.000 0.066) 1.530 5.592 ( 6.380 -0.000 0.687) 6.417 5.631 ( -6.439 0.000 -3.577) 7.366 6.043 ( -14.693 0.000 10.250) 17.915 6.114 ( 7.080 -0.000 5.868) 9.196 6.702 ( -3.901 -0.000 -2.052) 4.407 6.847 ( 3.618 0.000 -15.433) 15.851 7.121 ( 1.824 0.000 -0.083) 1.826 7.143 ( -1.036 -0.000 -10.075) 10.128 7.810 ( 5.011 -0.000 4.314) 6.612 7.928 ( -3.452 0.000 -3.011) 4.581 8.326 ( 7.210 0.000 6.450) 9.674 8.648 ( -0.806 0.000 -6.279) 6.331 8.973 ( -7.089 0.000 -5.172) 8.775 9.046 ( -8.797 0.000 -7.771) 11.738 9.517 ( 18.240 -0.000 -7.122) 19.581 9.541 ( 14.571 0.000 -3.107) 14.899 10.226 ( -7.437 0.000 7.959) 10.893 10.377 ( 1.726 -0.000 3.094) 3.543 10.714 ( -0.415 -0.000 -6.585) 6.598 10.807 ( -9.565 0.000 12.739) 15.931 11.086 ( 3.997 0.000 11.593) 12.263 11.797 ( -6.357 0.000 0.630) 6.388 12.056 ( 4.253 -0.000 2.559) 4.963 12.610 ( -1.713 0.000 -4.070) 4.416 13.589 ( -0.738 0.000 4.816) 4.872 14.009 ( -10.322 0.000 11.775) 15.659 14.060 ( -5.941 -0.000 -1.137) 6.049 14.586 ( 2.740 0.000 5.755) 6.374 15.812 ( 6.502 0.000 -5.449) 8.483 15.938 ( 2.495 0.000 -8.934) 9.276 16.232 ( -5.014 -0.000 7.368) 8.912 16.811 ( 8.957 0.000 5.152) 10.333 17.529 ( -4.328 0.000 -4.007) 5.898 18.285 ( -9.856 0.000 -10.968) 14.746 19.203 ( 6.499 0.000 -2.926) 7.128 19.415 ( 2.948 0.000 -0.817) 3.059 ======================= Grid point 210 (113/230) ======================= q-point: (-0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( -0.444 0.000 -1.710) 1.766 2.379 ( -10.810 -0.000 -0.850) 10.844 2.638 ( -27.531 -0.000 -3.665) 27.774 2.815 ( -10.396 0.000 0.658) 10.417 3.398 ( -6.174 0.000 3.804) 7.252 3.737 ( -0.407 0.000 1.446) 1.502 3.738 ( 1.656 -0.000 -0.276) 1.679 4.042 ( 3.452 0.000 -9.973) 10.554 4.436 ( -5.954 -0.000 -6.919) 9.128 4.514 ( 6.169 0.000 8.854) 10.792 5.485 ( -4.461 0.000 -5.409) 7.011 5.597 ( 2.843 0.000 -1.509) 3.218 5.618 ( -5.405 -0.000 11.791) 12.971 5.688 ( -0.149 -0.000 7.365) 7.366 6.012 ( 13.831 -0.000 -2.362) 14.031 6.322 ( 7.897 0.000 8.347) 11.491 6.613 ( -5.634 -0.000 1.646) 5.870 6.793 ( 2.734 0.000 -17.198) 17.414 7.092 ( 4.566 -0.000 -10.923) 11.839 7.213 ( 7.752 0.000 -0.324) 7.759 7.846 ( -2.988 -0.000 -3.064) 4.280 7.925 ( 4.206 0.000 2.601) 4.945 8.462 ( 2.847 -0.000 3.408) 4.440 8.539 ( -5.341 0.000 -7.508) 9.213 8.846 ( -1.364 -0.000 -2.863) 3.171 8.888 ( -2.971 0.000 -4.707) 5.566 9.767 ( 10.364 -0.000 -3.979) 11.102 9.823 ( 16.494 0.000 -7.262) 18.022 10.049 ( -13.024 0.000 2.402) 13.244 10.373 ( -5.882 0.000 6.578) 8.824 10.722 ( 3.882 -0.000 -3.643) 5.323 10.779 ( -1.812 0.000 13.980) 14.097 11.199 ( -0.677 0.000 8.311) 8.339 11.740 ( 1.231 0.000 1.362) 1.836 12.148 ( 3.828 0.000 1.308) 4.045 12.555 ( -1.459 0.000 -2.631) 3.008 13.625 ( 1.286 0.000 3.548) 3.774 13.890 ( -9.510 0.000 10.066) 13.847 13.971 ( -3.139 -0.000 1.467) 3.465 14.587 ( -6.370 0.000 4.577) 7.844 15.766 ( -10.073 0.000 -0.416) 10.082 15.985 ( 8.555 0.000 -7.988) 11.705 16.203 ( -1.187 -0.000 3.887) 4.064 17.031 ( 10.120 0.000 5.460) 11.499 17.461 ( -0.733 0.000 -0.053) 0.735 18.003 ( -10.660 -0.000 -13.898) 17.516 19.318 ( 7.254 0.000 -2.657) 7.725 19.472 ( 3.812 0.000 -1.894) 4.257 ======================= Grid point 212 (114/230) ======================= q-point: (-0.22 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( -12.239 -0.000 -4.361) 12.993 2.163 ( -10.936 0.000 4.447) 11.805 2.292 ( -4.489 0.000 11.326) 12.183 2.708 ( -1.925 0.000 0.534) 1.997 3.310 ( -5.304 0.000 3.304) 6.249 3.742 ( -0.251 0.000 3.948) 3.956 3.807 ( 4.894 0.000 -9.661) 10.830 3.984 ( -0.194 0.000 -2.750) 2.756 4.331 ( -3.483 0.000 -0.099) 3.485 4.671 ( 3.122 0.000 7.785) 8.388 5.378 ( -2.174 0.000 -6.931) 7.264 5.456 ( -16.134 0.000 19.334) 25.182 5.657 ( 4.612 -0.000 -2.660) 5.324 5.796 ( 6.468 -0.000 0.801) 6.517 6.241 ( 6.880 -0.000 -4.377) 8.154 6.421 ( -1.888 0.000 -2.797) 3.375 6.503 ( -5.498 -0.000 1.513) 5.703 6.799 ( 8.167 0.000 -5.573) 9.887 7.232 ( 16.187 -0.000 -7.108) 17.679 7.396 ( 11.590 0.000 -2.572) 11.872 7.773 ( -2.305 -0.000 -3.374) 4.087 7.992 ( 1.467 0.000 -0.007) 1.467 8.393 ( -3.705 0.000 -5.736) 6.829 8.502 ( 1.660 -0.000 0.666) 1.788 8.847 ( 1.037 0.000 -3.464) 3.616 8.888 ( 4.686 0.000 1.489) 4.917 9.689 ( -19.192 -0.000 -0.763) 19.207 9.815 ( -5.230 0.000 -0.472) 5.252 10.121 ( 14.624 0.000 -9.165) 17.259 10.310 ( -1.724 0.000 2.309) 2.882 10.779 ( 4.473 0.000 -4.169) 6.114 10.895 ( 3.275 0.000 9.832) 10.363 11.187 ( -5.553 0.000 12.848) 13.997 11.864 ( 8.673 0.000 3.181) 9.238 12.215 ( 2.280 0.000 0.549) 2.345 12.528 ( -0.251 0.000 0.099) 0.270 13.662 ( -1.207 0.000 3.203) 3.422 13.816 ( -2.525 0.000 7.232) 7.661 13.962 ( 0.172 -0.000 3.964) 3.967 14.428 ( -11.571 0.000 2.132) 11.766 15.455 ( -22.023 0.000 4.021) 22.387 16.138 ( 11.525 0.000 -6.180) 13.078 16.225 ( 1.020 -0.000 1.252) 1.614 17.251 ( 8.509 -0.000 1.124) 8.583 17.501 ( 2.375 0.000 6.029) 6.480 17.708 ( -9.303 0.000 -11.201) 14.561 19.434 ( 6.781 0.000 -3.798) 7.772 19.524 ( 3.369 0.000 -4.023) 5.247 ======================= Grid point 214 (115/230) ======================= q-point: (-0.11 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -0.330 -0.000 9.929) 9.935 2.085 ( -2.377 0.000 11.878) 12.114 2.418 ( 5.188 0.000 15.312) 16.167 2.711 ( 3.360 0.000 -5.038) 6.055 3.239 ( -4.818 0.000 3.935) 6.221 3.680 ( -4.430 0.000 -16.673) 17.251 3.805 ( 3.488 0.000 6.449) 7.331 4.142 ( 10.739 0.000 6.577) 12.593 4.248 ( -8.106 0.000 6.892) 10.640 4.690 ( -6.752 0.000 5.173) 8.505 5.329 ( 3.047 0.000 -8.360) 8.898 5.335 ( -9.210 -0.000 19.082) 21.188 5.720 ( 3.858 -0.000 -4.169) 5.681 5.938 ( 7.636 0.000 0.998) 7.701 6.178 ( -6.764 -0.000 -4.889) 8.346 6.276 ( -6.592 0.000 -8.619) 10.850 6.490 ( 2.461 -0.000 -0.877) 2.612 6.979 ( 10.219 0.000 1.102) 10.278 7.515 ( 14.041 -0.000 -4.641) 14.788 7.577 ( 8.837 0.000 -5.186) 10.247 7.725 ( 0.236 -0.000 -2.649) 2.659 7.962 ( -4.077 0.000 -2.003) 4.543 8.368 ( 4.899 0.000 -3.590) 6.074 8.592 ( 7.253 0.000 3.091) 7.884 8.875 ( 4.043 0.000 -2.425) 4.714 8.984 ( 3.380 0.000 -1.738) 3.800 9.288 ( -20.578 -0.000 -0.395) 20.582 9.597 ( -17.527 0.000 6.301) 18.625 10.284 ( 8.358 0.000 -9.258) 12.473 10.334 ( 4.594 0.000 -6.615) 8.054 10.839 ( 6.090 0.000 -6.999) 9.277 10.913 ( -4.029 -0.000 -3.704) 5.473 11.288 ( 1.335 0.000 28.826) 28.857 12.045 ( 6.177 0.000 3.037) 6.883 12.229 ( -1.519 0.000 0.594) 1.631 12.548 ( 1.355 0.000 2.336) 2.701 13.636 ( -2.399 0.000 5.501) 6.001 13.903 ( 7.234 0.000 1.618) 7.413 14.013 ( 1.032 0.000 2.980) 3.154 14.232 ( -8.240 -0.000 3.007) 8.772 15.038 ( -24.730 0.000 8.600) 26.182 16.250 ( 0.796 -0.000 0.901) 1.202 16.310 ( 9.699 -0.000 -4.706) 10.780 17.164 ( -10.881 -0.000 -18.303) 21.293 17.611 ( 2.690 0.000 10.510) 10.849 17.705 ( 9.701 -0.000 7.304) 12.144 19.513 ( 4.535 0.000 -5.689) 7.275 19.534 ( 1.230 -0.000 -6.506) 6.621 ======================= Grid point 243 (116/230) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 13.808 0.000 25.550) 29.043 1.908 ( -9.437 0.000 27.513) 29.086 2.977 ( 2.567 0.000 -3.068) 4.000 3.107 ( 4.297 0.000 -4.068) 5.917 3.243 ( -1.847 0.000 38.538) 38.583 3.442 ( -3.338 0.000 1.020) 3.490 3.657 ( -1.743 0.000 17.867) 17.952 4.035 ( -3.233 0.000 5.217) 6.137 4.380 ( 8.123 0.000 0.886) 8.171 4.791 ( 5.360 0.000 -7.032) 8.842 4.944 ( 3.950 0.000 -7.815) 8.756 5.563 ( -1.683 0.000 -2.363) 2.901 5.618 ( 1.878 0.000 -3.803) 4.242 5.874 ( 0.616 0.000 -10.580) 10.598 6.057 ( 3.092 0.000 -3.556) 4.712 6.162 ( 11.304 0.000 -3.535) 11.844 6.319 ( -12.711 0.000 -1.082) 12.757 7.017 ( -0.619 0.000 -8.070) 8.094 7.340 ( 2.845 0.000 4.408) 5.246 7.760 ( 1.387 0.000 -3.192) 3.480 8.299 ( 4.246 0.000 2.724) 5.045 8.348 ( 5.187 0.000 -3.717) 6.382 8.394 ( -0.351 0.000 4.084) 4.099 8.604 ( -2.562 0.000 -10.702) 11.004 8.685 ( 10.906 0.000 -0.069) 10.906 8.796 ( 4.881 0.000 -0.317) 4.891 9.248 ( -15.552 0.000 7.439) 17.239 9.377 ( -3.734 0.000 14.007) 14.496 10.275 ( -2.741 0.000 -8.655) 9.079 10.305 ( 6.899 0.000 -4.684) 8.339 10.548 ( -7.982 0.000 -4.207) 9.023 10.818 ( 3.050 0.000 -12.820) 13.178 11.587 ( -0.934 0.000 3.281) 3.411 11.846 ( -4.206 0.000 -2.887) 5.102 12.792 ( -2.850 0.000 9.859) 10.263 13.392 ( 3.192 0.000 4.752) 5.725 13.456 ( 3.941 0.000 -3.005) 4.956 13.928 ( -9.975 0.000 1.425) 10.076 13.998 ( 4.163 0.000 0.160) 4.166 14.157 ( 7.664 0.000 -2.565) 8.082 15.400 ( -41.060 0.000 2.558) 41.139 15.547 ( 3.875 0.000 -2.620) 4.678 16.253 ( 0.168 0.000 1.241) 1.253 16.377 ( 0.237 0.000 -1.446) 1.465 18.061 ( 2.173 0.000 12.701) 12.885 18.777 ( -5.670 0.000 5.117) 7.638 19.031 ( 16.989 0.000 -9.038) 19.244 19.299 ( 5.593 0.000 -6.242) 8.381 ======================= Grid point 244 (117/230) ======================= q-point: ( 0.11 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -1.634 0.000 24.250) 24.305 2.389 ( 19.374 0.000 20.082) 27.904 3.033 ( 5.128 0.000 -2.181) 5.572 3.110 ( 0.770 0.000 -4.865) 4.926 3.374 ( -4.163 0.000 0.833) 4.246 3.519 ( 5.573 0.000 26.327) 26.911 3.646 ( -11.082 0.000 15.951) 19.423 4.077 ( 2.043 0.000 7.323) 7.603 4.485 ( 3.241 0.000 -3.766) 4.968 4.803 ( 0.995 0.000 -7.656) 7.720 4.957 ( 3.077 0.000 -7.943) 8.518 5.500 ( -5.304 0.000 1.134) 5.424 5.554 ( -4.739 0.000 -3.704) 6.015 5.881 ( 6.026 0.000 -8.079) 10.079 5.932 ( -8.808 0.000 -8.309) 12.109 6.291 ( 5.716 0.000 5.286) 7.785 6.349 ( 9.687 0.000 -1.890) 9.870 7.006 ( 5.497 0.000 -11.251) 12.522 7.250 ( -12.982 0.000 4.719) 13.813 7.694 ( -4.699 0.000 -4.303) 6.372 8.317 ( -2.830 0.000 -13.951) 14.235 8.338 ( -1.477 0.000 -8.487) 8.614 8.432 ( 0.736 0.000 4.774) 4.830 8.507 ( 1.172 0.000 2.045) 2.357 8.855 ( 6.523 0.000 -4.454) 7.899 8.947 ( 9.610 0.000 -1.851) 9.787 9.144 ( -2.638 0.000 13.500) 13.755 9.453 ( -0.265 0.000 14.664) 14.666 10.176 ( -0.422 0.000 -9.253) 9.262 10.390 ( 2.828 0.000 0.942) 2.981 10.402 ( -3.955 0.000 -1.704) 4.306 10.812 ( 6.479 0.000 -13.526) 14.998 11.566 ( -3.505 0.000 2.781) 4.475 11.688 ( -10.661 0.000 0.581) 10.677 12.788 ( -3.798 0.000 9.244) 9.994 13.428 ( -4.810 0.000 2.319) 5.340 13.466 ( 1.528 0.000 0.500) 1.608 13.792 ( -5.915 0.000 1.557) 6.117 14.055 ( 2.751 0.000 -2.191) 3.517 14.331 ( 8.910 0.000 -2.955) 9.388 14.843 ( -20.096 0.000 13.963) 24.471 15.625 ( 4.659 0.000 2.565) 5.318 16.271 ( 0.620 0.000 1.305) 1.444 16.382 ( 1.201 0.000 -1.815) 2.177 18.128 ( -4.376 0.000 10.768) 11.623 18.718 ( -3.292 0.000 4.934) 5.932 19.032 ( -2.057 0.000 -12.631) 12.797 19.454 ( 10.334 0.000 -9.417) 13.981 ======================= Grid point 245 (118/230) ======================= q-point: ( 0.22 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 3.628 0.000 18.321) 18.677 2.885 ( 19.350 0.000 15.717) 24.929 3.089 ( 0.220 0.000 -4.102) 4.108 3.120 ( 1.721 0.000 3.789) 4.162 3.316 ( 0.255 0.000 -2.776) 2.788 3.494 ( -14.577 0.000 13.796) 20.071 3.763 ( 5.980 0.000 10.150) 11.780 4.146 ( -1.475 0.000 8.589) 8.714 4.435 ( -3.689 0.000 -9.340) 10.042 4.731 ( -3.051 0.000 -6.768) 7.424 4.961 ( 3.258 0.000 -8.259) 8.879 5.359 ( -10.265 0.000 3.643) 10.892 5.453 ( -2.852 0.000 -2.978) 4.123 5.745 ( -4.819 0.000 -8.156) 9.473 5.943 ( 5.839 0.000 -9.335) 11.011 6.468 ( 6.686 0.000 7.295) 9.895 6.502 ( 6.933 0.000 -0.014) 6.933 7.001 ( -14.985 0.000 6.112) 16.184 7.022 ( 5.330 0.000 -17.253) 18.057 7.572 ( -2.503 0.000 -9.956) 10.266 8.109 ( -6.966 0.000 -8.950) 11.342 8.206 ( -5.625 0.000 -5.951) 8.188 8.484 ( 0.492 0.000 6.344) 6.363 8.574 ( -0.050 0.000 6.885) 6.886 8.977 ( 11.429 0.000 -4.509) 12.286 9.053 ( 3.774 0.000 -8.882) 9.651 9.192 ( -2.607 0.000 6.473) 6.978 9.504 ( -2.534 0.000 6.923) 7.373 10.174 ( 5.097 0.000 -2.762) 5.797 10.407 ( 4.340 0.000 2.094) 4.819 10.434 ( 1.088 0.000 3.137) 3.321 10.892 ( 9.167 0.000 -8.817) 12.719 11.478 ( -12.865 0.000 5.763) 14.097 11.493 ( -5.581 0.000 2.041) 5.942 12.781 ( -3.183 0.000 8.246) 8.839 13.325 ( -7.715 0.000 4.186) 8.777 13.472 ( -0.564 0.000 -0.264) 0.623 13.690 ( -5.788 0.000 -0.089) 5.789 14.099 ( 3.644 0.000 -0.643) 3.700 14.326 ( -10.421 0.000 15.201) 18.431 14.885 ( 14.705 0.000 -1.655) 14.798 15.761 ( 5.516 0.000 7.616) 9.403 16.292 ( 0.562 0.000 1.629) 1.723 16.391 ( 1.111 0.000 -2.354) 2.603 18.025 ( -11.379 0.000 4.883) 12.383 18.733 ( 0.378 0.000 6.706) 6.717 18.885 ( -3.194 0.000 -14.205) 14.560 19.517 ( 3.856 0.000 -10.358) 11.053 ======================= Grid point 246 (119/230) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 5.912 0.000 12.341) 13.684 3.060 ( -0.743 0.000 -3.314) 3.396 3.084 ( -10.017 0.000 12.002) 15.634 3.255 ( -7.586 0.000 9.210) 11.932 3.361 ( 8.971 0.000 12.258) 15.189 3.393 ( 9.992 0.000 -8.564) 13.160 3.842 ( -5.204 0.000 6.687) 8.473 4.142 ( -0.931 0.000 1.364) 1.651 4.252 ( -6.733 0.000 -11.731) 13.526 4.611 ( -4.395 0.000 -6.561) 7.897 4.970 ( 3.253 0.000 -7.667) 8.328 5.221 ( -5.357 0.000 4.080) 6.734 5.389 ( -2.383 0.000 -2.714) 3.612 5.600 ( -5.870 0.000 -6.709) 8.914 5.971 ( 5.304 0.000 -13.059) 14.095 6.545 ( -7.298 0.000 7.557) 10.506 6.602 ( 2.293 0.000 1.451) 2.714 6.857 ( -1.689 0.000 8.027) 8.203 6.997 ( 5.530 0.000 -17.012) 17.888 7.427 ( -2.222 0.000 -20.506) 20.626 8.016 ( -0.514 0.000 3.665) 3.701 8.100 ( -2.527 0.000 0.517) 2.580 8.530 ( -0.280 0.000 5.976) 5.983 8.596 ( -1.724 0.000 5.993) 6.236 8.959 ( -4.803 0.000 -13.809) 14.620 9.070 ( -5.584 0.000 -9.610) 11.114 9.237 ( 11.983 0.000 3.171) 12.396 9.486 ( -0.127 0.000 -0.563) 0.577 10.312 ( 7.385 0.000 4.801) 8.808 10.495 ( 2.265 0.000 5.410) 5.865 10.563 ( 8.925 0.000 3.250) 9.499 11.004 ( 6.265 0.000 -5.465) 8.314 11.293 ( -11.789 0.000 10.240) 15.616 11.400 ( -4.848 0.000 2.197) 5.322 12.766 ( -4.040 0.000 6.838) 7.942 13.192 ( -10.221 0.000 7.554) 12.709 13.464 ( 1.553 0.000 -4.048) 4.336 13.574 ( -4.956 0.000 -2.078) 5.374 14.200 ( 5.707 0.000 3.874) 6.898 14.248 ( -9.499 0.000 18.509) 20.804 15.203 ( 19.218 0.000 -4.416) 19.719 15.906 ( 2.344 0.000 9.407) 9.694 16.317 ( 0.669 0.000 2.732) 2.813 16.399 ( 1.604 0.000 -1.832) 2.435 17.802 ( -12.249 0.000 -0.489) 12.259 18.727 ( -2.314 0.000 -16.742) 16.901 18.797 ( 0.768 0.000 7.436) 7.475 19.484 ( 0.355 0.000 -9.810) 9.816 ======================= Grid point 247 (120/230) ======================= q-point: (-0.56 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 4.894 0.000 9.355) 10.557 2.945 ( -12.632 0.000 12.770) 17.962 3.010 ( -5.439 0.000 3.565) 6.504 3.028 ( -13.790 0.000 1.079) 13.832 3.509 ( 7.275 0.000 -8.664) 11.313 3.523 ( -9.637 0.000 -4.952) 10.835 3.788 ( 1.162 0.000 19.095) 19.131 4.062 ( -3.875 0.000 -12.463) 13.051 4.159 ( 2.833 0.000 -4.101) 4.985 4.489 ( -3.355 0.000 -6.305) 7.142 4.983 ( 1.108 0.000 -2.055) 2.335 5.229 ( 3.452 0.000 1.697) 3.847 5.330 ( -1.545 0.000 -1.337) 2.043 5.444 ( -4.368 0.000 -3.787) 5.781 5.982 ( 6.262 0.000 -15.879) 17.069 6.378 ( -11.387 0.000 6.005) 12.874 6.570 ( -5.571 0.000 -3.858) 6.776 6.967 ( 3.880 0.000 8.955) 9.759 7.033 ( 8.883 0.000 -12.767) 15.553 7.266 ( -0.641 0.000 -13.856) 13.870 8.090 ( 4.414 0.000 2.688) 5.168 8.115 ( 1.793 0.000 3.473) 3.909 8.522 ( -5.095 0.000 -0.031) 5.095 8.599 ( -2.036 0.000 5.375) 5.747 8.755 ( -4.977 0.000 -8.108) 9.514 8.833 ( -10.532 0.000 -9.447) 14.148 9.501 ( 14.826 0.000 -3.937) 15.339 9.521 ( 5.542 0.000 -4.213) 6.962 10.481 ( 5.169 0.000 7.425) 9.048 10.583 ( 2.070 0.000 7.156) 7.450 10.750 ( 7.497 0.000 1.941) 7.745 10.996 ( -3.870 0.000 -5.260) 6.530 11.183 ( -7.267 0.000 13.461) 15.297 11.378 ( 1.039 0.000 2.706) 2.898 12.718 ( -5.224 0.000 5.730) 7.754 13.050 ( -9.856 0.000 8.720) 13.160 13.472 ( 2.287 0.000 -5.627) 6.074 13.496 ( -1.512 0.000 -1.593) 2.196 14.202 ( -7.984 0.000 16.621) 18.439 14.359 ( 6.484 0.000 7.263) 9.736 15.539 ( 17.818 0.000 -1.813) 17.910 15.927 ( -5.843 0.000 5.029) 7.710 16.368 ( 2.306 0.000 5.333) 5.810 16.445 ( 3.246 0.000 1.203) 3.462 17.593 ( -7.538 0.000 -2.438) 7.922 18.559 ( -2.423 0.000 -21.098) 21.237 18.852 ( -0.212 0.000 7.034) 7.037 19.416 ( -0.616 0.000 -8.181) 8.204 ======================= Grid point 248 (121/230) ======================= q-point: (-0.44 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( -10.838 0.000 18.396) 21.351 2.676 ( -23.929 0.000 0.856) 23.945 2.841 ( -0.327 0.000 1.914) 1.942 2.943 ( -4.738 0.000 3.475) 5.876 3.216 ( -14.326 0.000 -0.213) 14.328 3.545 ( 1.564 0.000 -4.204) 4.486 3.910 ( -4.169 0.000 13.166) 13.811 3.937 ( 0.053 0.000 -13.903) 13.903 4.175 ( 1.121 0.000 -2.205) 2.474 4.422 ( 0.710 0.000 -4.397) 4.454 4.931 ( -5.655 0.000 2.073) 6.023 5.339 ( 7.136 0.000 -0.907) 7.193 5.341 ( 3.192 0.000 0.349) 3.211 5.526 ( 14.558 0.000 0.992) 14.592 5.995 ( 6.673 0.000 -17.047) 18.307 6.239 ( -6.907 0.000 4.911) 8.475 6.357 ( -9.480 0.000 -12.159) 15.418 7.076 ( 1.235 0.000 6.934) 7.043 7.153 ( 11.043 0.000 -9.153) 14.343 7.227 ( 1.431 0.000 -2.235) 2.654 8.152 ( -1.358 0.000 -2.649) 2.977 8.172 ( 2.867 0.000 -2.597) 3.869 8.339 ( -7.039 0.000 -2.036) 7.327 8.533 ( -9.492 0.000 1.723) 9.648 8.651 ( -0.307 0.000 -3.112) 3.127 8.724 ( 1.117 0.000 2.042) 2.327 9.628 ( 8.444 0.000 -5.885) 10.293 9.739 ( 14.865 0.000 -9.846) 17.830 10.578 ( -1.113 0.000 7.083) 7.170 10.625 ( -6.128 0.000 7.820) 9.935 10.837 ( 0.917 0.000 1.822) 2.040 10.845 ( -4.410 0.000 -5.637) 7.157 11.242 ( 4.484 0.000 11.971) 12.783 11.438 ( 2.669 0.000 1.906) 3.280 12.659 ( -4.542 0.000 5.947) 7.483 12.955 ( -6.232 0.000 10.099) 11.867 13.458 ( -0.256 0.000 -5.335) 5.341 13.504 ( 2.759 0.000 0.363) 2.783 14.167 ( -5.950 0.000 12.662) 13.990 14.522 ( 4.043 0.000 9.007) 9.872 15.771 ( -10.618 0.000 -1.375) 10.707 15.846 ( 13.845 0.000 1.127) 13.891 16.504 ( 1.152 0.000 1.327) 1.757 16.514 ( 8.720 0.000 10.714) 13.814 17.510 ( -0.270 0.000 0.630) 0.686 18.321 ( -6.254 0.000 -27.035) 27.749 18.883 ( -1.285 0.000 6.458) 6.585 19.363 ( 0.260 0.000 -5.858) 5.863 ======================= Grid point 249 (122/230) ======================= q-point: (-0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( -29.341 0.000 3.387) 29.536 2.411 ( -20.832 0.000 23.429) 31.351 2.905 ( -5.264 0.000 14.910) 15.812 2.911 ( 5.713 0.000 -4.182) 7.081 3.018 ( -7.632 0.000 1.946) 7.876 3.532 ( -1.793 0.000 1.584) 2.392 3.802 ( -14.216 0.000 12.649) 19.029 3.895 ( 4.577 0.000 -9.275) 10.343 4.175 ( -0.857 0.000 1.297) 1.554 4.458 ( 5.566 0.000 -3.671) 6.668 4.875 ( -0.226 0.000 -1.037) 1.062 5.436 ( 6.081 0.000 -1.211) 6.201 5.477 ( 7.787 0.000 -1.944) 8.026 5.888 ( 16.766 0.000 1.081) 16.801 6.002 ( 5.827 0.000 -17.148) 18.111 6.104 ( -6.196 0.000 -14.172) 15.467 6.207 ( 2.976 0.000 6.368) 7.029 7.081 ( -4.490 0.000 1.508) 4.736 7.259 ( 0.934 0.000 2.342) 2.521 7.321 ( 12.079 0.000 -7.286) 14.106 8.025 ( -4.382 0.000 -2.915) 5.263 8.124 ( -4.525 0.000 -3.521) 5.734 8.323 ( 0.599 0.000 4.475) 4.515 8.425 ( -2.588 0.000 3.262) 4.164 8.672 ( 3.130 0.000 -2.446) 3.972 8.766 ( 1.497 0.000 1.492) 2.113 9.712 ( 3.023 0.000 -6.081) 6.792 9.935 ( 13.986 0.000 -14.033) 19.812 10.389 ( -19.181 0.000 2.756) 19.378 10.535 ( -6.478 0.000 5.615) 8.572 10.826 ( 2.459 0.000 -2.752) 3.690 10.857 ( 0.207 0.000 0.618) 0.651 11.466 ( 11.335 0.000 5.878) 12.769 11.494 ( 1.874 0.000 1.751) 2.564 12.640 ( -1.947 0.000 7.328) 7.582 12.966 ( -0.184 0.000 11.916) 11.918 13.390 ( -3.203 0.000 -3.619) 4.833 13.597 ( 5.671 0.000 2.312) 6.125 14.146 ( -3.719 0.000 8.065) 8.881 14.594 ( -4.321 0.000 9.139) 10.109 15.561 ( -6.775 0.000 -6.431) 9.342 16.055 ( 7.090 0.000 1.173) 7.186 16.499 ( -1.485 0.000 -0.985) 1.782 16.899 ( 22.151 0.000 16.103) 27.385 17.578 ( 4.412 0.000 5.805) 7.291 17.928 ( -14.772 0.000 -30.060) 33.493 18.892 ( -2.269 0.000 6.188) 6.591 19.347 ( 1.422 0.000 -4.489) 4.709 ======================= Grid point 250 (123/230) ======================= q-point: (-0.22 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -22.499 0.000 16.724) 28.034 2.168 ( -21.025 0.000 25.310) 32.904 2.909 ( -4.848 0.000 12.582) 13.484 2.963 ( 2.826 0.000 -4.827) 5.593 2.987 ( -2.411 0.000 20.386) 20.529 3.508 ( -2.288 0.000 3.340) 4.049 3.624 ( -11.529 0.000 12.184) 16.774 3.995 ( 9.037 0.000 -1.411) 9.147 4.154 ( -3.208 0.000 3.444) 4.707 4.569 ( 8.261 0.000 -3.844) 9.112 4.887 ( 3.095 0.000 -5.070) 5.940 5.526 ( 5.018 0.000 -4.633) 6.830 5.586 ( 4.925 0.000 -3.627) 6.117 5.952 ( 2.430 0.000 -13.411) 13.629 5.996 ( 0.139 0.000 -1.421) 1.428 5.999 ( 3.241 0.000 -13.909) 14.282 6.569 ( 23.428 0.000 7.953) 24.741 6.917 ( -10.950 0.000 -4.159) 11.713 7.251 ( -3.248 0.000 -0.832) 3.353 7.511 ( 12.244 0.000 -6.023) 13.645 8.033 ( 3.875 0.000 5.719) 6.908 8.063 ( -0.362 0.000 4.934) 4.947 8.364 ( 0.471 0.000 4.158) 4.185 8.429 ( -0.151 0.000 3.789) 3.792 8.715 ( 4.105 0.000 -6.989) 8.106 8.789 ( 0.420 0.000 -0.643) 0.768 9.631 ( -8.235 0.000 -1.719) 8.413 9.984 ( -19.778 0.000 1.276) 19.819 10.099 ( 9.332 0.000 -14.340) 17.109 10.454 ( -4.020 0.000 0.718) 4.084 10.832 ( -2.608 0.000 -2.322) 3.492 10.847 ( 2.258 0.000 -5.004) 5.490 11.535 ( 1.090 0.000 2.357) 2.596 11.714 ( 11.581 0.000 -0.385) 11.588 12.682 ( 0.322 0.000 8.778) 8.784 13.104 ( 6.304 0.000 9.966) 11.792 13.315 ( -2.265 0.000 -0.707) 2.373 13.737 ( 6.600 0.000 3.483) 7.463 14.127 ( -2.753 0.000 4.191) 5.015 14.454 ( -14.752 0.000 5.637) 15.792 15.470 ( 1.965 0.000 -7.250) 7.511 16.151 ( 2.784 0.000 0.634) 2.855 16.449 ( -2.256 0.000 -1.952) 2.984 17.164 ( -19.324 0.000 -31.170) 36.674 17.721 ( 26.084 0.000 17.397) 31.353 17.730 ( 5.571 0.000 9.506) 11.018 18.880 ( -3.410 0.000 6.175) 7.054 19.344 ( 1.285 0.000 -4.861) 5.028 ======================= Grid point 251 (124/230) ======================= q-point: (-0.11 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -3.228 0.000 27.274) 27.464 1.977 ( -16.934 0.000 27.270) 32.100 2.968 ( 1.187 0.000 -3.763) 3.946 2.971 ( 1.084 0.000 17.305) 17.339 3.108 ( -2.403 0.000 23.914) 24.034 3.485 ( -2.371 0.000 2.267) 3.281 3.567 ( -3.120 0.000 13.863) 14.209 4.097 ( -5.485 0.000 4.785) 7.279 4.189 ( 10.145 0.000 2.024) 10.345 4.701 ( 8.054 0.000 -5.005) 9.482 4.915 ( 4.110 0.000 -7.088) 8.193 5.576 ( 4.468 0.000 -5.448) 7.046 5.605 ( 0.232 0.000 -4.430) 4.436 5.950 ( 1.029 0.000 -12.905) 12.946 5.997 ( 8.898 0.000 -7.362) 11.549 6.005 ( 2.575 0.000 -1.759) 3.119 6.622 ( -15.010 0.000 -3.449) 15.401 7.067 ( 20.437 0.000 4.809) 20.996 7.132 ( -5.523 0.000 -5.686) 7.926 7.683 ( 8.750 0.000 -4.493) 9.836 8.172 ( 5.100 0.000 8.199) 9.656 8.199 ( 7.821 0.000 5.649) 9.648 8.391 ( -0.913 0.000 4.194) 4.293 8.486 ( 3.870 0.000 5.902) 7.058 8.712 ( 2.240 0.000 -13.110) 13.299 8.774 ( -0.272 0.000 -2.476) 2.491 9.445 ( -10.460 0.000 6.420) 12.273 9.579 ( -21.614 0.000 3.362) 21.874 10.204 ( 9.459 0.000 -11.689) 15.037 10.378 ( -2.878 0.000 -4.898) 5.681 10.722 ( -6.397 0.000 -4.213) 7.660 10.843 ( 2.288 0.000 -8.822) 9.114 11.568 ( 0.408 0.000 3.035) 3.062 11.865 ( 4.781 0.000 -3.370) 5.850 12.752 ( -0.116 0.000 9.704) 9.705 13.296 ( 7.387 0.000 -1.625) 7.563 13.329 ( 4.033 0.000 6.792) 7.899 13.883 ( 5.906 0.000 3.238) 6.735 14.105 ( -0.718 0.000 1.138) 1.346 14.172 ( -15.577 0.000 1.703) 15.670 15.497 ( 4.414 0.000 -5.650) 7.170 16.141 ( -11.107 0.000 -5.734) 12.499 16.379 ( -29.618 0.000 -13.760) 32.658 16.399 ( -1.426 0.000 -1.697) 2.217 17.905 ( 4.858 0.000 11.739) 12.705 18.487 ( 36.352 0.000 6.429) 36.916 18.843 ( -4.836 0.000 5.943) 7.662 19.320 ( 0.081 0.000 -6.185) 6.186 ======================= Grid point 252 (125/230) ======================= q-point: ( 0.00 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 6.555 0.310 23.746) 24.637 2.122 ( 0.552 12.959 26.694) 29.679 2.952 ( 1.130 -0.884 -3.206) 3.512 3.098 ( 2.242 -4.000 4.495) 6.421 3.209 ( 2.519 -4.841 8.273) 9.911 3.431 ( -7.094 6.862 26.602) 28.374 3.821 ( 1.350 10.564 6.422) 12.437 4.076 ( -3.495 4.109 5.350) 7.597 4.348 ( 7.421 -2.888 1.022) 8.028 4.707 ( 2.843 -5.849 -3.093) 7.201 5.031 ( 3.532 7.021 -4.629) 9.121 5.513 ( 3.378 -3.531 -4.592) 6.705 5.641 ( -3.662 0.663 -4.559) 5.886 5.876 ( 2.967 -1.534 -3.531) 4.860 6.027 ( 3.324 2.174 -7.904) 8.846 6.248 ( 8.114 4.041 -0.252) 9.068 6.313 ( -9.700 0.282 -4.300) 10.615 7.023 ( -0.320 0.683 -8.040) 8.075 7.347 ( 3.548 0.922 3.981) 5.412 7.751 ( 1.252 -0.915 -3.526) 3.852 8.209 ( 1.007 -6.994 0.561) 7.089 8.264 ( -1.873 -11.311 3.178) 11.897 8.400 ( 7.120 2.460 -2.891) 8.069 8.627 ( -0.796 1.379 -10.136) 10.260 8.699 ( 10.198 1.710 3.083) 10.790 8.836 ( 4.112 3.379 -2.881) 6.052 9.209 ( -13.411 -3.355 7.777) 15.862 9.408 ( -6.183 2.711 12.958) 14.612 10.237 ( 0.268 -2.747 -9.311) 9.711 10.304 ( 4.445 -1.063 -4.713) 6.565 10.552 ( -6.686 0.820 -4.367) 8.027 10.846 ( 3.081 1.846 -11.591) 12.134 11.625 ( -1.228 4.069 4.076) 5.889 11.880 ( -3.913 3.454 -2.376) 5.735 12.735 ( -3.096 -5.501 9.521) 11.424 13.240 ( 3.658 -17.610 -2.046) 18.102 13.478 ( 0.874 7.322 8.408) 11.184 13.919 ( -6.790 -0.896 0.874) 6.904 14.050 ( 8.291 2.636 -1.207) 8.783 14.206 ( 3.445 4.832 -1.337) 6.083 15.239 ( -25.203 -9.578 9.455) 28.571 15.750 ( -7.676 13.663 -10.400) 18.809 16.263 ( 0.375 0.918 1.080) 1.466 16.396 ( -0.954 1.834 -1.914) 2.817 18.048 ( 1.864 -1.231 12.501) 12.699 18.610 ( 5.382 -12.677 5.612) 14.872 19.141 ( 4.163 7.045 -8.239) 11.612 19.313 ( 6.016 1.396 -6.860) 9.230 ======================= Grid point 253 (126/230) ======================= q-point: ( 0.11 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 2.138 6.579 21.367) 22.459 2.468 ( 16.576 7.721 18.946) 26.331 2.982 ( 3.372 -3.688 -0.691) 5.045 3.117 ( -0.620 0.334 -5.181) 5.229 3.221 ( -2.590 -10.919 6.289) 12.865 3.612 ( 4.146 7.867 23.174) 24.822 3.799 ( -8.567 10.219 9.744) 16.516 4.108 ( 2.327 3.426 4.902) 6.418 4.459 ( 4.045 -2.431 -2.870) 5.523 4.701 ( -1.012 -7.839 -4.027) 8.871 5.044 ( 1.240 6.972 -4.319) 8.294 5.478 ( -7.314 -0.967 -4.985) 8.904 5.560 ( 0.495 -0.582 -1.304) 1.512 5.833 ( -4.735 -0.756 -3.566) 5.976 6.037 ( 4.159 4.967 -9.026) 11.110 6.248 ( 4.125 -0.099 2.192) 4.672 6.414 ( 8.273 3.777 -0.572) 9.113 7.003 ( 3.648 -0.129 -10.166) 10.801 7.281 ( -10.574 3.107 3.474) 11.556 7.681 ( -4.808 -1.297 -4.266) 6.557 8.199 ( -0.867 -8.086 -5.361) 9.740 8.251 ( -2.598 -11.500 -3.443) 12.283 8.430 ( -0.050 2.285 -4.955) 5.457 8.570 ( 1.694 2.390 -1.340) 3.222 8.845 ( 5.246 -0.899 -4.220) 6.792 8.931 ( 5.632 -1.978 -0.653) 6.005 9.146 ( 0.224 0.676 11.162) 11.185 9.446 ( -1.800 -0.316 13.542) 13.665 10.166 ( 0.912 -0.878 -9.636) 9.719 10.362 ( 1.647 -1.391 -1.079) 2.411 10.437 ( -2.243 2.128 0.092) 3.093 10.851 ( 6.780 2.841 -13.016) 14.949 11.599 ( -4.255 3.818 3.369) 6.636 11.731 ( -10.323 4.215 1.068) 11.201 12.724 ( -4.139 -6.208 8.992) 11.684 13.222 ( -3.162 -16.874 -1.268) 17.215 13.531 ( -1.940 7.021 8.356) 11.085 13.856 ( -1.011 3.230 1.238) 3.604 14.146 ( 2.464 7.712 -3.166) 8.693 14.332 ( 9.037 0.205 -3.094) 9.554 14.846 ( -17.826 0.365 14.361) 22.894 15.690 ( 2.525 6.488 -1.027) 7.037 16.280 ( 0.595 0.902 1.189) 1.607 16.393 ( 1.125 1.051 -1.735) 2.319 18.103 ( -4.890 -2.544 10.006) 11.424 18.678 ( 0.295 -3.976 5.208) 6.559 19.062 ( -2.832 2.854 -11.654) 12.328 19.427 ( 8.131 -2.483 -8.815) 12.247 ======================= Grid point 254 (127/230) ======================= q-point: ( 0.22 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 4.164 7.786 15.474) 17.816 2.894 ( 9.901 -0.250 14.132) 17.257 3.012 ( 1.051 -4.678 -1.000) 4.898 3.108 ( 4.886 -0.388 2.143) 5.349 3.238 ( 2.833 -5.195 -0.215) 5.921 3.668 ( -11.119 11.621 10.569) 19.245 3.816 ( 4.124 5.031 8.819) 10.958 4.175 ( -0.235 2.985 6.225) 6.907 4.438 ( -2.670 0.883 -8.400) 8.858 4.626 ( -3.391 -9.353 -2.762) 10.325 5.035 ( 1.171 6.253 -4.686) 7.902 5.280 ( -8.163 -3.719 -6.228) 10.920 5.544 ( -2.240 3.774 0.930) 4.486 5.707 ( -5.447 1.095 -3.114) 6.369 6.075 ( 5.767 8.691 -10.199) 14.589 6.387 ( 6.628 -4.087 2.573) 8.201 6.552 ( 4.980 1.868 2.845) 6.032 6.942 ( -5.882 -2.440 -4.285) 7.675 7.119 ( -3.336 6.336 -6.415) 9.614 7.557 ( -2.651 -1.511 -9.551) 10.026 8.067 ( -7.831 -5.569 -6.990) 11.882 8.130 ( -3.647 -6.077 -2.800) 7.621 8.448 ( 0.560 -3.350 4.592) 5.712 8.598 ( -0.628 1.493 3.436) 3.799 8.939 ( 9.873 -3.753 -3.794) 11.223 9.038 ( 5.315 -2.584 -5.725) 8.228 9.204 ( -1.704 1.746 3.466) 4.238 9.458 ( -3.992 -3.353 5.806) 7.803 10.170 ( 4.651 -0.324 -3.882) 6.067 10.407 ( 4.659 -0.092 1.313) 4.841 10.447 ( 0.859 1.249 3.955) 4.236 10.931 ( 8.705 2.623 -9.285) 12.995 11.499 ( -9.606 3.903 4.444) 11.281 11.548 ( -8.883 4.467 4.604) 10.957 12.706 ( -3.791 -7.126 7.863) 11.269 13.138 ( -4.651 -15.318 -0.364) 16.012 13.512 ( -5.425 6.480 7.715) 11.443 13.858 ( -0.029 9.897 -0.819) 9.931 14.147 ( 1.265 5.233 -3.008) 6.167 14.356 ( -8.691 2.939 14.788) 17.403 14.887 ( 13.977 0.326 -1.263) 14.037 15.784 ( 4.853 2.384 5.462) 7.685 16.301 ( 0.535 0.769 1.571) 1.829 16.402 ( 1.168 1.109 -2.140) 2.679 17.995 ( -10.694 -2.882 4.041) 11.790 18.723 ( -0.426 -0.877 6.299) 6.374 18.923 ( -1.815 3.444 -13.142) 13.706 19.473 ( 3.294 -4.264 -9.193) 10.656 ======================= Grid point 255 (128/230) ======================= q-point: ( 0.33 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 5.844 5.758 9.028) 12.199 2.835 ( -11.949 -11.724 10.744) 19.891 3.098 ( 0.730 -1.426 -6.162) 6.367 3.305 ( 9.136 -3.334 3.804) 10.442 3.420 ( 13.845 4.202 3.310) 14.842 3.522 ( -10.575 14.544 9.468) 20.323 3.856 ( -5.934 1.601 5.353) 8.151 4.171 ( -2.608 1.966 0.878) 3.382 4.275 ( -5.055 3.126 -10.709) 12.247 4.561 ( -1.439 -4.397 -3.194) 5.622 5.021 ( 0.410 4.798 -6.278) 7.912 5.125 ( -2.753 -5.638 -2.913) 6.918 5.494 ( -3.748 3.147 0.496) 4.919 5.574 ( -6.222 3.532 -3.305) 7.881 6.098 ( 4.835 10.318 -13.142) 17.394 6.491 ( 0.932 -6.099 3.336) 7.014 6.576 ( -6.278 -1.077 4.405) 7.744 6.854 ( 0.253 -0.511 2.826) 2.883 7.046 ( 2.366 4.351 -11.734) 12.736 7.417 ( -2.145 -1.058 -19.983) 20.126 7.949 ( -2.511 -6.995 4.760) 8.826 8.087 ( -0.013 -0.819 1.745) 1.927 8.488 ( -0.104 -4.691 5.654) 7.347 8.597 ( -1.550 0.093 3.106) 3.473 8.983 ( -3.145 2.347 -12.894) 13.478 9.098 ( -4.169 2.694 -10.726) 11.819 9.179 ( 10.000 -5.695 4.635) 12.407 9.426 ( 0.231 -5.503 0.228) 5.512 10.283 ( 6.764 -2.536 3.050) 7.842 10.495 ( 2.249 -0.605 5.219) 5.715 10.572 ( 8.460 1.352 3.299) 9.181 11.007 ( 3.101 -0.965 -5.806) 6.653 11.341 ( -10.715 5.043 10.008) 15.505 11.454 ( -3.787 5.738 3.238) 7.600 12.675 ( -4.676 -8.236 6.327) 11.390 13.045 ( -4.990 -13.857 0.282) 14.731 13.447 ( -5.823 5.958 6.264) 10.423 13.815 ( -1.874 14.619 -5.213) 15.634 14.199 ( 2.710 0.749 5.587) 6.255 14.310 ( -6.203 5.342 16.362) 18.296 15.198 ( 19.018 -0.472 -4.915) 19.648 15.906 ( 2.017 -0.008 7.209) 7.485 16.323 ( 0.468 0.608 2.754) 2.859 16.419 ( 2.304 2.013 -1.162) 3.272 17.785 ( -11.294 -1.585 -0.946) 11.444 18.676 ( -4.319 -2.799 -7.342) 8.966 18.878 ( 2.274 5.526 -1.849) 6.255 19.445 ( 0.473 -3.776 -8.476) 9.291 ======================= Grid point 256 (129/230) ======================= q-point: (-0.56 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 6.112 2.454 4.284) 7.857 2.668 ( -14.380 -11.995 15.148) 24.086 3.005 ( -5.971 -1.936 -7.324) 9.646 3.343 ( -10.037 17.268 8.866) 21.852 3.497 ( 6.420 0.149 -5.575) 8.504 3.531 ( -9.954 0.509 -4.278) 10.846 3.773 ( -2.170 -0.945 14.427) 14.620 4.082 ( -1.655 0.868 -7.035) 7.279 4.200 ( 1.534 4.207 -6.309) 7.737 4.506 ( -1.567 1.908 -5.871) 6.369 4.999 ( 0.808 0.797 0.850) 1.418 5.146 ( 4.795 -2.995 -1.916) 5.969 5.408 ( -2.875 -0.925 -0.926) 3.159 5.459 ( -3.507 7.874 -0.787) 8.655 6.083 ( 3.412 9.027 -14.322) 17.270 6.402 ( -8.659 2.368 4.091) 9.865 6.504 ( -4.317 -6.625 -2.686) 8.351 6.915 ( 2.710 -4.391 1.497) 5.373 7.063 ( 5.860 1.738 -7.611) 9.762 7.265 ( -0.115 -0.193 -12.746) 12.748 8.006 ( 3.196 -6.955 6.461) 10.017 8.133 ( 2.665 0.629 1.214) 2.995 8.512 ( -2.185 -2.361 3.519) 4.768 8.575 ( -2.252 -1.832 0.921) 3.045 8.791 ( -6.423 4.145 -8.385) 11.346 8.869 ( -10.030 3.533 -9.485) 14.249 9.424 ( 12.774 -6.869 -3.010) 14.813 9.493 ( 8.494 -3.407 -4.021) 9.997 10.438 ( 5.060 -3.763 6.675) 9.182 10.582 ( 2.187 -0.885 7.144) 7.524 10.751 ( 7.535 0.691 1.504) 7.714 10.947 ( -5.149 -4.425 -4.209) 7.988 11.233 ( -8.278 4.295 12.915) 15.931 11.459 ( 1.576 7.735 2.447) 8.265 12.615 ( -5.343 -8.786 5.294) 11.565 12.956 ( -4.734 -11.702 1.322) 12.693 13.386 ( -4.054 4.686 4.139) 7.452 13.752 ( -0.757 13.186 -4.305) 13.892 14.224 ( -7.490 2.332 15.971) 17.794 14.404 ( 6.342 4.307 7.175) 10.500 15.521 ( 17.053 -1.647 -2.645) 17.335 15.914 ( -4.929 -1.376 2.693) 5.782 16.364 ( 0.856 0.085 5.615) 5.680 16.491 ( 5.033 4.102 1.776) 6.731 17.587 ( -7.167 -0.498 -2.607) 7.643 18.506 ( -4.685 -4.325 -16.674) 17.852 18.922 ( 1.380 5.861 2.678) 6.590 19.392 ( -0.124 -2.258 -6.918) 7.279 ======================= Grid point 257 (130/230) ======================= q-point: (-0.44 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( -15.981 -10.281 18.898) 26.800 2.695 ( 3.239 -1.506 0.158) 3.576 2.721 ( -18.941 2.070 -3.394) 19.353 3.198 ( -16.242 -0.785 1.416) 16.323 3.232 ( -5.308 16.655 2.488) 17.657 3.540 ( 0.970 -0.629 -4.163) 4.320 3.844 ( 0.667 -3.455 5.795) 6.780 4.010 ( -3.614 3.863 -5.354) 7.527 4.207 ( 1.747 3.246 -1.069) 3.838 4.441 ( -0.680 1.686 -4.741) 5.077 4.984 ( -4.608 5.780 3.743) 8.285 5.259 ( 7.387 -2.749 0.483) 7.897 5.428 ( 1.661 4.203 -1.098) 4.651 5.531 ( 15.337 0.844 1.445) 15.428 6.042 ( 1.732 4.595 -11.584) 12.582 6.271 ( -7.592 1.130 -4.802) 9.054 6.357 ( -3.284 1.917 -7.194) 8.137 6.972 ( 1.509 -8.959 3.939) 9.902 7.155 ( 8.745 -0.484 -6.481) 10.896 7.239 ( 1.414 0.168 -3.109) 3.420 8.110 ( 1.908 -5.553 3.729) 6.955 8.168 ( 1.796 0.252 -3.420) 3.871 8.372 ( -8.583 3.639 -4.041) 10.161 8.522 ( -7.620 -1.994 1.533) 8.025 8.679 ( -0.814 2.781 -3.784) 4.767 8.718 ( -0.048 0.357 0.083) 0.369 9.598 ( 9.497 -3.142 -5.503) 11.417 9.691 ( 14.754 -4.720 -9.394) 18.117 10.510 ( -4.520 -4.966 6.505) 9.349 10.644 ( -2.794 -0.227 7.828) 8.315 10.811 ( -2.796 -3.301 -5.023) 6.629 10.846 ( 1.447 1.014 1.469) 2.297 11.246 ( 1.204 1.373 12.802) 12.932 11.514 ( 2.469 6.603 1.545) 7.217 12.561 ( -3.757 -8.230 5.711) 10.699 12.892 ( -3.192 -9.890 3.249) 10.889 13.353 ( -1.725 2.926 2.275) 4.089 13.731 ( 0.119 11.484 -0.685) 11.505 14.178 ( -7.132 1.133 12.856) 14.746 14.570 ( 4.487 4.456 7.685) 9.953 15.718 ( -3.772 -3.981 -1.794) 5.770 15.863 ( 8.536 0.385 -1.101) 8.615 16.417 ( -0.361 -3.227 6.382) 7.160 16.638 ( 8.821 7.042 5.318) 12.477 17.505 ( -0.353 -0.413 0.636) 0.836 18.258 ( -7.782 -5.582 -22.993) 24.908 18.960 ( 0.441 6.722 3.182) 7.450 19.357 ( 0.791 -0.559 -5.098) 5.189 ======================= Grid point 258 (131/230) ======================= q-point: (-0.33 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -28.184 2.555 2.613) 28.420 2.342 ( -17.933 -6.439 21.106) 28.435 2.775 ( 1.188 -1.461 5.714) 6.016 2.982 ( -8.536 -3.392 5.343) 10.626 3.173 ( -2.378 13.473 -1.147) 13.729 3.534 ( 0.294 0.010 1.879) 1.902 3.854 ( -12.944 5.163 10.640) 17.533 3.887 ( 3.944 -0.805 -5.976) 7.205 4.233 ( 0.344 5.827 1.110) 5.942 4.438 ( 3.074 -1.774 -1.744) 3.955 4.939 ( -0.652 6.716 -0.656) 6.779 5.407 ( 6.442 -2.189 -0.616) 6.832 5.496 ( 7.183 1.927 -2.016) 7.706 5.876 ( 12.163 -0.257 -0.226) 12.168 6.002 ( -0.345 -3.247 -5.042) 6.007 6.077 ( 1.561 3.372 -16.397) 16.813 6.342 ( 5.178 9.890 -1.673) 11.288 7.005 ( -2.034 -7.347 2.913) 8.161 7.225 ( -0.793 -3.957 -0.010) 4.036 7.314 ( 11.406 -0.621 -6.894) 13.341 8.055 ( -3.691 1.857 -2.597) 4.880 8.174 ( -2.680 4.748 -2.889) 6.171 8.269 ( -1.134 -4.384 6.457) 7.887 8.402 ( -3.810 -2.584 1.379) 4.805 8.687 ( 2.303 1.143 -3.478) 4.325 8.759 ( 2.809 -0.067 1.421) 3.149 9.697 ( 3.725 -1.512 -6.217) 7.404 9.895 ( 14.505 -3.969 -13.566) 20.253 10.315 ( -16.814 -5.958 1.938) 17.944 10.567 ( -8.357 1.421 6.299) 10.561 10.804 ( 1.882 -1.734 -2.274) 3.423 10.874 ( 0.935 1.279 0.399) 1.634 11.409 ( 6.358 -1.979 8.266) 10.615 11.587 ( 5.073 5.768 1.259) 7.784 12.562 ( -0.674 -6.890 7.187) 9.979 12.889 ( -0.036 -10.587 5.565) 11.961 13.345 ( -0.655 3.331 1.611) 3.757 13.747 ( 0.829 9.522 3.344) 10.126 14.135 ( -4.771 -0.958 8.477) 9.775 14.629 ( -4.903 3.088 7.488) 9.468 15.564 ( -4.516 0.520 -6.893) 8.257 16.048 ( 7.647 -1.290 0.254) 7.759 16.414 ( -3.007 -6.671 2.547) 7.748 16.949 ( 18.118 3.943 9.788) 20.967 17.573 ( 4.238 -0.560 6.064) 7.420 17.886 ( -13.541 -3.703 -24.717) 28.425 18.984 ( 0.039 8.360 3.046) 8.898 19.351 ( 1.701 0.487 -4.324) 4.672 ======================= Grid point 259 (132/230) ======================= q-point: (-0.22 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -22.693 1.967 14.587) 27.049 2.165 ( -17.262 0.856 26.121) 31.321 2.846 ( 0.931 -5.397 10.880) 12.180 2.937 ( -1.236 -0.944 7.819) 7.972 3.105 ( -4.703 8.090 1.635) 9.500 3.591 ( 2.942 3.699 4.436) 6.482 3.664 ( -12.984 7.550 10.854) 18.531 3.973 ( 6.218 -1.512 1.249) 6.520 4.228 ( -2.146 6.796 2.779) 7.650 4.526 ( 6.373 -3.451 -0.915) 7.305 4.943 ( 2.569 5.503 -4.056) 7.303 5.471 ( 4.059 -4.243 -7.377) 9.428 5.646 ( 7.099 4.987 -0.983) 8.731 5.860 ( -2.893 -5.071 -2.733) 6.446 5.947 ( 3.760 -0.842 -12.506) 13.086 6.144 ( 4.845 6.680 -10.378) 13.259 6.624 ( 18.860 5.007 6.915) 20.702 6.887 ( -7.918 -2.663 -5.320) 9.904 7.204 ( -2.143 -4.885 -0.409) 5.350 7.501 ( 12.124 -1.092 -5.825) 13.495 8.042 ( 2.596 1.325 3.585) 4.620 8.131 ( -0.613 4.909 5.118) 7.119 8.312 ( -0.485 -4.110 6.467) 7.678 8.382 ( 0.554 -4.731 1.797) 5.090 8.698 ( 2.411 -1.095 -7.123) 7.599 8.818 ( 2.662 2.452 -0.905) 3.731 9.625 ( -8.079 -0.404 -1.720) 8.270 9.961 ( -19.623 -2.633 0.786) 19.814 10.059 ( 12.202 -3.489 -15.081) 19.710 10.456 ( -5.820 -0.308 2.053) 6.179 10.795 ( -1.026 -1.703 -4.218) 4.663 10.881 ( 0.722 1.488 -2.836) 3.283 11.538 ( 2.424 0.415 5.310) 5.852 11.748 ( 10.125 3.237 -0.624) 10.648 12.624 ( 1.212 -5.534 8.452) 10.176 12.968 ( 4.328 -14.021 5.326) 15.611 13.354 ( 0.217 6.659 3.490) 7.522 13.811 ( 2.690 5.351 5.051) 7.835 14.107 ( -3.158 -1.698 5.229) 6.341 14.473 ( -14.084 1.395 3.616) 14.607 15.494 ( 1.220 2.242 -6.367) 6.860 16.147 ( 2.945 -1.131 -0.280) 3.167 16.353 ( -3.976 -8.075 0.101) 9.001 17.124 ( -13.376 -2.790 -24.628) 28.164 17.667 ( 11.799 -2.083 8.733) 14.826 17.774 ( 11.571 0.761 13.221) 17.586 19.006 ( 0.526 11.082 2.309) 11.333 19.352 ( 1.370 0.772 -5.049) 5.288 ======================= Grid point 260 (133/230) ======================= q-point: (-0.11 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( -4.244 0.820 24.696) 25.072 2.063 ( -12.114 8.065 28.507) 32.007 2.944 ( 2.452 -4.320 2.815) 5.709 3.016 ( 2.244 -1.597 5.791) 6.413 3.063 ( -2.396 3.430 17.451) 17.946 3.501 ( -11.767 3.910 13.958) 18.670 3.709 ( 5.035 10.578 4.457) 12.535 4.098 ( 1.453 -1.029 4.784) 5.104 4.217 ( 1.816 3.851 2.657) 5.019 4.639 ( 5.638 -4.442 -1.452) 7.323 4.981 ( 4.431 5.722 -4.688) 8.623 5.489 ( 3.659 -4.808 -8.018) 10.040 5.701 ( 0.861 5.315 -4.617) 7.093 5.832 ( 1.874 -5.724 -2.364) 6.470 5.992 ( 7.080 1.287 -8.753) 11.332 6.147 ( 3.526 7.031 -6.517) 10.215 6.590 ( -13.921 -3.496 -3.899) 14.874 7.087 ( 17.563 2.554 2.658) 17.946 7.120 ( -2.830 -1.431 -4.279) 5.326 7.675 ( 9.009 -0.878 -4.698) 10.198 8.158 ( 3.376 -1.237 5.041) 6.191 8.215 ( 4.576 -2.252 6.062) 7.922 8.326 ( -1.286 -3.822 4.365) 5.943 8.471 ( 6.657 -0.670 5.998) 8.985 8.682 ( 2.344 -1.057 -10.504) 10.815 8.835 ( 0.937 3.965 -4.535) 6.096 9.423 ( -12.892 -2.043 5.863) 14.309 9.597 ( -18.179 1.506 2.936) 18.476 10.177 ( 9.770 -2.330 -11.909) 15.579 10.362 ( -3.506 -1.928 -4.180) 5.786 10.703 ( -4.986 -0.781 -5.156) 7.215 10.868 ( 1.532 1.363 -7.130) 7.419 11.599 ( 0.711 3.136 4.545) 5.568 11.891 ( 4.837 2.673 -2.844) 6.216 12.701 ( -0.024 -5.002 9.244) 10.511 13.115 ( 8.121 -16.360 1.061) 18.296 13.405 ( 1.267 7.523 6.530) 10.042 13.911 ( 4.944 1.376 2.810) 5.851 14.065 ( -6.354 -1.718 4.140) 7.776 14.235 ( -8.097 3.899 -0.687) 9.013 15.467 ( -3.181 -3.622 -1.484) 5.043 16.108 ( -10.182 -2.548 -7.889) 13.130 16.271 ( -3.081 -2.429 -0.217) 3.929 16.564 ( -17.565 8.230 -13.875) 23.850 17.892 ( 5.502 -1.262 11.301) 12.632 18.289 ( 22.690 -13.442 11.050) 28.594 19.051 ( 4.236 14.085 -0.635) 14.721 19.327 ( 0.219 0.734 -6.533) 6.577 ======================= Grid point 261 (134/230) ======================= q-point: ( 0.00 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 11.018 9.464 17.250) 22.550 2.370 ( 0.779 12.816 24.779) 27.909 2.916 ( 2.522 -9.436 11.352) 14.976 2.982 ( -1.271 0.993 -2.040) 2.601 3.169 ( 1.568 -1.084 -5.394) 5.721 3.562 ( -2.635 2.461 22.169) 22.461 4.010 ( -0.259 11.160 0.529) 11.176 4.151 ( -0.095 2.403 6.784) 7.197 4.303 ( 3.953 -0.889 2.931) 5.001 4.623 ( -1.996 -2.716 2.274) 4.066 5.202 ( 1.803 11.582 3.613) 12.265 5.422 ( 6.588 -6.788 -8.649) 12.817 5.636 ( -4.796 -0.407 -3.093) 5.722 5.875 ( -0.303 2.260 -2.072) 3.081 6.099 ( 1.671 3.315 -4.616) 5.923 6.246 ( -0.270 -2.053 3.991) 4.496 6.370 ( 5.161 3.978 -8.768) 10.924 7.043 ( 0.833 1.278 -8.242) 8.382 7.381 ( 5.156 2.736 1.881) 6.133 7.727 ( 0.226 -1.533 -3.807) 4.110 8.004 ( -1.679 -14.949 2.952) 15.330 8.058 ( -1.505 -8.859 -1.373) 9.090 8.428 ( 7.325 0.234 -4.071) 8.383 8.644 ( -3.403 0.579 -8.643) 9.307 8.756 ( 8.359 4.211 3.992) 10.176 8.899 ( 4.322 2.896 -5.459) 7.541 9.141 ( -10.780 -3.526 7.132) 13.398 9.465 ( -8.414 3.080 12.294) 15.212 10.189 ( 1.285 -2.198 -10.682) 10.982 10.273 ( 5.696 -1.713 -4.494) 7.455 10.579 ( -5.590 1.739 -4.494) 7.380 10.853 ( 3.217 -1.458 -9.681) 10.305 11.736 ( -1.278 7.399 6.533) 9.952 11.968 ( -3.320 5.566 -1.045) 6.565 12.592 ( -3.957 -9.909 9.878) 14.541 12.908 ( 2.362 -15.035 2.134) 15.368 13.639 ( 1.072 8.641 8.202) 11.962 13.903 ( -3.263 -0.568 -0.584) 3.363 14.073 ( 8.625 0.202 -1.627) 8.779 14.299 ( 2.561 4.178 1.410) 5.100 15.088 ( -19.910 -6.285 14.046) 25.164 15.996 ( -4.388 11.764 -15.205) 19.719 16.284 ( 0.804 1.154 0.597) 1.528 16.439 ( -3.423 2.516 -3.384) 5.431 18.018 ( 0.850 -1.870 12.155) 12.327 18.378 ( 10.494 -11.082 7.423) 16.971 19.245 ( -1.967 4.036 -7.811) 9.010 19.344 ( 4.688 1.569 -8.200) 9.575 ======================= Grid point 262 (135/230) ======================= q-point: ( 0.11 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 8.350 11.780 13.880) 20.028 2.640 ( 12.482 9.159 16.749) 22.808 2.937 ( -1.500 -0.945 1.031) 2.051 3.023 ( 0.350 -8.557 3.389) 9.210 3.124 ( -0.416 -0.077 -2.366) 2.403 3.731 ( 3.262 1.625 19.521) 19.858 3.936 ( -7.029 5.057 3.489) 9.336 4.209 ( 2.828 6.541 1.057) 7.204 4.417 ( 3.779 -2.337 2.846) 5.277 4.561 ( -4.426 -5.006 -0.075) 6.682 5.214 ( -1.824 11.339 1.828) 11.629 5.483 ( -7.443 1.114 -8.175) 11.112 5.521 ( 5.481 -3.708 -1.364) 6.756 5.828 ( -2.355 -0.375 0.524) 2.442 6.088 ( 1.366 2.477 -3.006) 4.128 6.316 ( 5.557 4.355 0.823) 7.108 6.477 ( 7.642 3.486 -4.815) 9.682 7.011 ( 1.254 1.080 -9.446) 9.590 7.360 ( -6.668 5.089 1.566) 8.533 7.644 ( -4.946 -2.599 -3.772) 6.742 7.999 ( -0.698 -14.231 -2.014) 14.390 8.032 ( -0.867 -9.374 -1.351) 9.511 8.446 ( -4.301 -0.964 -7.013) 8.283 8.574 ( 4.652 -1.616 -2.729) 5.630 8.829 ( 1.033 -0.649 -3.640) 3.839 8.878 ( -1.187 -2.940 -1.982) 3.739 9.181 ( 5.135 2.812 7.757) 9.718 9.456 ( -3.067 1.588 11.834) 12.328 10.151 ( 3.227 -0.529 -10.902) 11.382 10.343 ( 2.730 -0.691 -0.940) 2.969 10.471 ( -3.028 1.403 -0.009) 3.337 10.874 ( 6.876 -0.848 -11.826) 13.706 11.716 ( -4.593 8.137 4.510) 10.375 11.834 ( -10.333 6.309 2.143) 12.295 12.568 ( -5.071 -10.221 9.874) 15.089 12.920 ( -1.718 -13.405 1.089) 13.558 13.683 ( -2.554 8.086 7.947) 11.622 13.898 ( 2.231 1.501 1.115) 2.911 14.258 ( 8.850 2.464 -2.215) 9.450 14.358 ( 4.464 3.453 -2.365) 6.119 14.856 ( -12.654 0.647 15.549) 20.058 15.847 ( -1.182 9.253 -7.987) 12.280 16.300 ( 0.474 0.968 0.867) 1.383 16.419 ( 1.001 1.547 -1.574) 2.423 18.042 ( -5.668 -3.502 8.495) 10.796 18.581 ( 6.363 -5.763 6.315) 10.657 19.127 ( -3.551 3.769 -10.397) 11.615 19.375 ( 3.839 -2.747 -7.686) 9.020 ======================= Grid point 263 (136/230) ======================= q-point: ( 0.22 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( 5.085 11.571 7.721) 14.811 2.838 ( -9.341 -3.541 7.588) 12.545 3.003 ( 12.822 1.704 -6.418) 14.439 3.117 ( 12.673 -2.072 5.185) 13.849 3.144 ( -0.611 -0.618 8.947) 8.989 3.820 ( -7.427 4.459 5.438) 10.229 3.890 ( 2.024 -0.198 8.210) 8.458 4.250 ( 0.440 5.018 0.025) 5.037 4.412 ( -5.862 -12.451 2.873) 14.058 4.524 ( 1.758 9.054 -2.975) 9.692 5.176 ( -3.162 8.414 0.784) 9.023 5.267 ( -7.259 2.650 -10.312) 12.886 5.558 ( -1.101 -0.981 -0.974) 1.767 5.802 ( -2.818 5.764 3.843) 7.479 6.128 ( 4.795 -2.312 -2.912) 6.068 6.420 ( 5.466 7.003 -5.337) 10.364 6.565 ( 3.371 0.168 0.270) 3.386 6.915 ( -5.344 -0.518 -5.229) 7.495 7.249 ( -3.922 7.331 -4.679) 9.540 7.518 ( -2.804 -2.348 -8.311) 9.080 7.882 ( -8.360 -12.262 -2.303) 15.018 8.026 ( 0.637 -5.686 0.913) 5.794 8.360 ( -2.010 -5.970 0.426) 6.313 8.613 ( -0.046 0.140 -0.569) 0.588 8.851 ( 6.536 -4.997 -2.327) 8.550 8.940 ( 6.998 -6.938 -3.068) 10.321 9.265 ( -0.313 4.322 0.336) 4.347 9.434 ( -5.370 1.256 3.319) 6.437 10.165 ( 4.217 -0.087 -6.003) 7.337 10.397 ( 3.103 -1.200 1.420) 3.617 10.473 ( 2.203 1.350 3.808) 4.602 10.941 ( 6.417 -1.812 -9.122) 11.299 11.627 ( -10.600 8.027 4.817) 14.142 11.652 ( -7.232 7.004 5.844) 11.641 12.537 ( -4.857 -10.437 8.456) 14.284 12.873 ( -2.959 -11.327 -0.930) 11.745 13.659 ( -5.732 7.994 8.698) 13.130 13.980 ( 5.297 3.408 1.455) 6.465 14.280 ( -1.987 7.571 -5.578) 9.612 14.418 ( -3.616 2.960 12.356) 13.210 14.907 ( 11.625 1.992 0.827) 11.824 15.846 ( 3.004 3.975 -0.074) 4.983 16.316 ( 0.394 0.660 1.447) 1.639 16.430 ( 1.409 1.719 -1.640) 2.762 17.932 ( -9.146 -3.323 2.601) 10.072 18.702 ( 0.533 -1.370 6.995) 7.148 18.989 ( -1.198 3.019 -13.285) 13.676 19.382 ( 1.865 -4.522 -6.224) 7.917 ======================= Grid point 264 (137/230) ======================= q-point: ( 0.33 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 1.722 3.742 0.260) 4.128 2.695 ( -9.327 -1.273 10.086) 13.797 3.061 ( -0.586 -2.351 -6.453) 6.893 3.257 ( 9.425 -1.083 3.987) 10.291 3.472 ( 13.646 2.036 5.916) 15.012 3.715 ( -6.650 3.807 3.418) 8.390 3.910 ( -5.005 2.287 5.288) 7.632 4.185 ( -6.885 0.640 -1.927) 7.178 4.330 ( -1.870 -1.344 -2.693) 3.544 4.543 ( 1.794 6.798 -0.466) 7.047 5.048 ( -4.906 -0.811 -9.485) 10.710 5.163 ( -0.886 8.885 0.315) 8.934 5.491 ( -4.068 -0.036 -1.623) 4.380 5.744 ( -5.834 10.176 2.731) 12.044 6.211 ( 5.113 -3.882 -2.662) 6.949 6.427 ( 0.907 4.840 -9.923) 11.078 6.568 ( -5.674 0.067 4.117) 7.011 6.830 ( -0.480 -2.176 -0.776) 2.360 7.134 ( -2.481 4.291 -7.415) 8.919 7.392 ( -2.330 -1.298 -17.753) 17.952 7.777 ( -2.371 -10.048 7.280) 12.632 8.075 ( 2.642 -0.426 3.395) 4.323 8.348 ( -0.575 -9.743 3.183) 10.266 8.599 ( -0.617 0.121 -0.420) 0.756 9.012 ( 7.022 -2.431 -7.102) 10.279 9.042 ( 8.441 -5.579 -2.929) 10.533 9.173 ( -6.624 4.480 -6.341) 10.206 9.336 ( -3.164 -2.333 0.522) 3.965 10.239 ( 5.538 -1.722 0.426) 5.815 10.462 ( 1.814 -2.748 4.873) 5.881 10.610 ( 8.303 2.158 2.779) 9.018 10.952 ( -0.693 -4.447 -5.567) 7.159 11.450 ( -12.303 5.577 11.262) 17.587 11.612 ( -1.008 10.162 2.993) 10.641 12.489 ( -5.469 -11.087 6.486) 13.960 12.802 ( -2.986 -10.235 -2.960) 11.065 13.595 ( -6.575 8.057 8.616) 13.505 14.052 ( -0.608 9.959 -4.346) 10.883 14.233 ( 2.480 2.745 2.865) 4.679 14.419 ( -5.910 5.324 16.804) 18.592 15.195 ( 18.316 0.466 -5.944) 19.262 15.906 ( 1.100 -0.035 1.731) 2.051 16.337 ( 0.338 0.729 3.323) 3.419 16.467 ( 3.689 2.860 -0.214) 4.672 17.753 ( -9.272 -1.578 -1.756) 9.568 18.640 ( -7.153 -1.065 -4.603) 8.572 18.962 ( 4.250 2.685 -5.111) 7.169 19.367 ( 0.669 -3.595 -4.900) 6.114 ======================= Grid point 265 (138/230) ======================= q-point: (-0.56 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( -9.553 -7.474 6.653) 13.834 2.686 ( 0.386 5.137 5.878) 7.816 2.960 ( -4.813 -2.518 -7.445) 9.216 3.465 ( 9.052 1.208 -1.760) 9.301 3.527 ( -12.160 -0.147 -3.886) 12.767 3.622 ( -4.867 3.729 3.983) 7.311 3.818 ( -8.179 7.540 10.147) 15.056 4.066 ( -0.762 -2.155 -3.326) 4.035 4.286 ( 0.237 3.864 -5.339) 6.595 4.558 ( -0.610 3.083 -4.819) 5.753 4.997 ( 5.013 0.957 1.171) 5.236 5.199 ( 3.917 7.428 0.830) 8.438 5.416 ( -1.729 2.567 -0.011) 3.095 5.625 ( -7.047 8.826 0.408) 11.302 6.251 ( -0.393 3.824 -4.365) 5.817 6.350 ( -1.612 -4.389 -5.707) 7.378 6.471 ( -3.609 4.055 -2.039) 5.799 6.808 ( -1.672 -6.801 -2.925) 7.590 7.084 ( 2.042 0.507 -5.620) 6.001 7.258 ( -0.196 -0.587 -10.085) 10.104 7.852 ( 3.046 -8.495 8.259) 12.233 8.139 ( 1.966 -0.345 0.158) 2.002 8.391 ( 1.848 -8.762 5.484) 10.501 8.575 ( -1.610 0.892 -2.545) 3.141 8.900 ( -7.322 6.772 -7.785) 12.652 8.955 ( -9.088 5.208 -9.750) 14.310 9.273 ( 13.867 -8.261 -2.097) 16.277 9.402 ( 9.218 -5.789 -3.318) 11.380 10.367 ( 4.942 -3.199 5.159) 7.828 10.538 ( 1.742 -3.500 6.975) 7.996 10.777 ( 6.840 1.344 -0.326) 6.979 10.850 ( -5.341 -5.146 -3.429) 8.171 11.323 ( -9.733 4.865 14.862) 18.419 11.631 ( 0.630 9.649 1.581) 9.798 12.423 ( -5.022 -11.414 4.982) 13.429 12.727 ( -2.115 -9.844 -4.002) 10.835 13.534 ( -5.434 8.520 7.665) 12.683 13.962 ( -3.080 8.882 -4.322) 10.347 14.287 ( -7.139 4.132 15.104) 17.210 14.493 ( 6.213 4.242 7.232) 10.436 15.491 ( 15.825 -1.131 -4.991) 16.632 15.880 ( -3.276 -2.034 -2.160) 4.420 16.375 ( -0.437 0.876 6.725) 6.796 16.577 ( 7.124 4.576 1.916) 8.681 17.579 ( -6.468 -0.330 -2.991) 7.133 18.426 ( -8.200 -3.808 -13.489) 16.238 19.025 ( 3.604 4.029 -0.531) 5.431 19.350 ( 0.865 -1.625 -3.912) 4.323 ======================= Grid point 266 (139/230) ======================= q-point: (-0.44 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( -10.244 -6.899 13.382) 18.211 2.659 ( -11.127 -1.885 -3.545) 11.830 2.809 ( -3.457 5.209 0.315) 6.260 3.160 ( -19.342 -2.211 -0.528) 19.476 3.483 ( -2.757 3.002 -7.522) 8.555 3.556 ( -3.922 7.483 2.946) 8.947 3.805 ( 0.971 -0.065 7.162) 7.228 4.040 ( -1.896 -1.339 -3.875) 4.517 4.295 ( 2.922 5.786 0.403) 6.494 4.470 ( -3.214 1.154 -4.403) 5.573 5.150 ( 1.139 10.989 7.119) 13.143 5.275 ( 4.858 5.211 1.430) 7.267 5.495 ( 2.252 2.875 -1.924) 4.127 5.568 ( 11.141 2.953 1.408) 11.611 6.140 ( -8.082 3.808 -0.461) 8.946 6.250 ( -2.187 -0.252 -14.031) 14.203 6.454 ( 4.543 6.238 -6.357) 9.998 6.776 ( 0.144 -11.056 1.806) 11.203 7.127 ( 4.302 -2.760 -3.201) 6.031 7.222 ( 1.404 -1.635 -5.892) 6.274 7.960 ( 1.832 -9.103 6.875) 11.554 8.159 ( 1.713 -2.698 -2.194) 3.876 8.439 ( -3.039 -0.622 1.817) 3.595 8.472 ( -5.666 1.416 -3.928) 7.038 8.747 ( -2.748 4.170 -4.156) 6.497 8.767 ( -3.616 4.728 -3.995) 7.169 9.516 ( 13.015 -5.208 -4.839) 14.830 9.583 ( 13.642 -6.017 -8.758) 17.292 10.420 ( -6.519 -4.188 5.556) 9.534 10.596 ( -1.230 -4.530 6.471) 7.994 10.739 ( 0.007 -3.890 -3.048) 4.942 10.874 ( 1.736 1.611 0.832) 2.510 11.303 ( -2.596 4.271 15.146) 15.949 11.646 ( 0.374 6.755 0.918) 6.828 12.382 ( -2.302 -10.764 4.499) 11.892 12.674 ( -0.688 -9.747 -3.224) 10.289 13.495 ( -3.481 9.135 6.394) 11.681 13.905 ( -1.430 6.990 0.020) 7.135 14.210 ( -9.871 2.162 13.376) 16.764 14.660 ( 4.161 4.180 6.525) 8.795 15.656 ( 1.068 -1.955 -4.536) 5.054 15.846 ( 6.793 -1.978 -4.730) 8.510 16.384 ( -4.088 -0.541 7.317) 8.399 16.761 ( 10.261 5.662 3.540) 12.242 17.496 ( -0.715 -0.524 0.558) 1.047 18.147 ( -9.852 -5.518 -18.189) 21.409 19.087 ( 3.088 5.789 0.242) 6.565 19.350 ( 1.807 0.103 -3.551) 3.986 ======================= Grid point 267 (140/230) ======================= q-point: (-0.33 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( -19.524 -3.432 3.057) 20.057 2.272 ( -15.699 3.497 15.107) 22.066 2.800 ( -3.382 2.371 3.495) 5.411 2.894 ( -9.074 -5.451 7.700) 13.090 3.358 ( -4.634 4.695 -5.370) 8.506 3.547 ( 2.234 2.558 -1.011) 3.544 3.867 ( 3.320 -0.993 -2.273) 4.144 3.951 ( -7.762 3.291 8.214) 11.771 4.385 ( 4.189 8.785 2.732) 10.108 4.405 ( -1.720 -0.525 0.068) 1.800 5.132 ( -3.660 13.645 3.421) 14.536 5.369 ( 3.110 -1.601 -3.674) 5.073 5.563 ( 8.457 5.069 1.084) 9.919 5.885 ( 12.873 0.452 -1.451) 12.963 5.958 ( -9.381 0.178 0.227) 9.386 6.167 ( 6.086 5.085 -16.032) 17.887 6.531 ( 7.968 9.505 -4.030) 13.042 6.834 ( 2.187 -9.980 4.429) 11.136 7.105 ( -3.232 -8.514 -3.475) 9.747 7.297 ( 9.662 -1.347 -5.229) 11.069 7.992 ( -1.630 -8.637 3.354) 9.408 8.201 ( 2.903 -4.452 0.568) 5.345 8.285 ( -6.680 5.481 -2.191) 8.914 8.374 ( -5.141 2.500 0.667) 5.756 8.708 ( 0.503 1.467 -4.648) 4.900 8.782 ( 4.063 2.149 0.889) 4.681 9.663 ( 5.978 -1.829 -6.688) 9.155 9.797 ( 15.395 -5.920 -12.612) 20.763 10.200 ( -15.956 -5.674 1.092) 16.969 10.561 ( -7.309 -1.882 6.234) 9.789 10.766 ( 2.009 -2.271 -0.808) 3.138 10.899 ( 0.945 1.227 0.074) 1.550 11.408 ( 2.707 1.766 13.053) 13.447 11.688 ( 4.049 4.677 1.312) 6.324 12.401 ( 0.851 -10.184 5.135) 11.437 12.663 ( 1.027 -9.788 -0.641) 9.863 13.492 ( -1.072 9.615 5.548) 11.152 13.896 ( -1.616 6.102 4.687) 7.862 14.117 ( -7.094 -0.880 8.812) 11.347 14.680 ( -7.184 1.675 5.654) 9.294 15.592 ( -0.221 2.601 -7.513) 7.953 15.987 ( 7.450 -5.099 -2.614) 9.399 16.321 ( -6.133 -2.498 5.136) 8.380 17.016 ( 13.157 2.940 2.705) 13.751 17.558 ( 3.889 -0.971 6.649) 7.764 17.813 ( -11.212 -3.648 -17.209) 20.861 19.148 ( 3.372 7.746 -0.337) 8.455 19.365 ( 2.292 1.035 -4.164) 4.864 ======================= Grid point 268 (141/230) ======================= q-point: (-0.22 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -19.919 5.398 10.508) 23.159 2.229 ( -9.097 5.696 24.895) 27.110 2.729 ( -4.548 -6.711 9.684) 12.630 2.907 ( 1.373 -2.322 7.633) 8.096 3.238 ( -4.323 5.356 -4.533) 8.241 3.590 ( 1.842 -1.961 -2.676) 3.795 3.872 ( -3.201 10.129 8.544) 13.632 3.950 ( 2.644 -0.979 6.075) 6.697 4.367 ( -3.675 5.253 4.188) 7.658 4.499 ( 5.074 3.552 2.061) 6.528 5.094 ( -1.592 10.456 1.967) 10.758 5.386 ( 3.999 -4.062 -9.541) 11.114 5.750 ( 6.579 3.677 2.016) 7.802 5.831 ( -2.881 3.569 1.346) 4.780 5.938 ( 2.567 0.461 -11.391) 11.686 6.239 ( 6.400 3.331 -10.633) 12.850 6.677 ( -2.154 -2.515 4.910) 5.922 6.876 ( 10.538 3.823 -7.924) 13.728 7.077 ( 1.577 -7.864 1.210) 8.111 7.471 ( 11.619 -2.054 -4.953) 12.797 7.990 ( 0.135 -9.179 3.204) 9.723 8.169 ( -4.581 0.158 3.493) 5.763 8.267 ( 0.919 -5.219 -0.327) 5.309 8.350 ( 2.722 7.086 4.911) 9.041 8.692 ( 1.868 0.721 -6.876) 7.162 8.865 ( 3.813 2.205 -0.933) 4.503 9.624 ( -7.811 0.403 -1.933) 8.056 9.880 ( -12.402 -5.512 -3.732) 14.075 9.996 ( 11.297 -2.936 -12.308) 16.963 10.433 ( -8.535 -1.919 3.777) 9.529 10.771 ( -0.226 -1.233 -3.557) 3.771 10.898 ( -0.020 0.541 -2.951) 3.000 11.556 ( 3.221 1.577 12.095) 12.615 11.821 ( 8.511 4.101 0.137) 9.449 12.477 ( 2.474 -10.420 6.786) 12.678 12.707 ( 3.037 -10.487 2.055) 11.110 13.525 ( 0.291 9.980 5.803) 11.548 13.894 ( -2.354 3.192 6.232) 7.387 14.076 ( -2.388 -1.409 5.788) 6.418 14.487 ( -13.542 -0.121 1.424) 13.617 15.534 ( -3.910 1.247 -2.948) 5.053 16.072 ( 4.059 -5.661 -3.624) 7.852 16.260 ( -2.373 -1.027 2.911) 3.894 17.091 ( -7.303 -0.757 -18.654) 20.047 17.641 ( 7.205 -0.841 4.666) 8.625 17.758 ( 7.315 -2.065 12.686) 14.788 19.212 ( 4.041 9.181 -2.061) 10.241 19.372 ( 1.614 1.262 -5.687) 6.044 ======================= Grid point 269 (142/230) ======================= q-point: (-0.11 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -1.734 8.498 18.942) 20.834 2.253 ( -6.254 11.488 26.794) 29.817 2.783 ( 1.190 -10.334 13.481) 17.028 2.995 ( 1.983 -1.256 3.283) 4.036 3.152 ( -0.708 4.006 -2.730) 4.899 3.558 ( -5.688 -0.530 7.890) 9.741 3.936 ( 3.297 12.526 6.378) 14.438 4.066 ( 4.829 -1.076 4.838) 6.920 4.306 ( -5.607 4.406 5.440) 8.970 4.596 ( 2.937 0.806 2.423) 3.893 5.121 ( 2.700 8.937 3.075) 9.829 5.395 ( 4.515 -4.782 -11.687) 13.411 5.730 ( -3.972 -0.606 -0.373) 4.035 5.861 ( 2.959 6.883 -5.188) 9.113 6.012 ( 8.136 0.716 -0.988) 8.227 6.247 ( 1.590 3.004 -6.657) 7.474 6.493 ( -10.001 -6.169 -5.561) 13.000 7.077 ( 1.183 -2.955 -2.534) 4.068 7.170 ( 14.175 5.936 -1.176) 15.413 7.651 ( 9.655 -1.594 -4.593) 10.810 8.020 ( -1.027 -14.154 3.967) 14.735 8.111 ( -3.821 -4.659 1.902) 6.318 8.318 ( 4.720 -0.153 1.088) 4.846 8.513 ( 9.555 5.362 6.792) 12.891 8.689 ( 2.925 1.918 -7.788) 8.537 8.896 ( 1.460 2.320 -5.000) 5.702 9.377 ( -16.162 -2.620 4.410) 16.956 9.628 ( -12.513 1.751 2.049) 12.800 10.133 ( 10.586 -2.116 -11.695) 15.916 10.307 ( -4.527 -3.451 -3.237) 6.548 10.705 ( -3.408 0.660 -5.446) 6.459 10.870 ( 0.567 -1.138 -5.671) 5.812 11.678 ( 1.605 4.897 9.390) 10.711 11.960 ( 5.033 4.374 -1.396) 6.812 12.565 ( 0.427 -10.035 8.648) 13.255 12.807 ( 5.350 -13.236 2.781) 14.544 13.573 ( 0.113 9.111 7.213) 11.621 13.914 ( 1.911 -0.420 1.926) 2.745 14.057 ( -5.240 0.308 4.506) 6.917 14.286 ( -4.469 1.431 -0.322) 4.704 15.364 ( -14.661 -6.386 5.879) 17.038 16.102 ( 2.600 2.098 -8.781) 9.395 16.262 ( 0.490 0.535 1.403) 1.580 16.692 ( -15.215 5.344 -16.628) 23.164 17.864 ( 6.798 -1.518 10.260) 12.401 18.069 ( 13.943 -9.518 12.749) 21.155 19.269 ( 3.909 8.446 -4.702) 10.427 19.346 ( 0.666 1.182 -7.592) 7.712 ======================= Grid point 270 (143/230) ======================= q-point: ( 0.00 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 13.568 13.301 10.359) 21.641 2.578 ( 0.813 6.671 19.094) 20.242 2.727 ( 4.448 -7.793 9.728) 13.234 3.024 ( -0.292 1.147 2.527) 2.790 3.162 ( 0.175 1.598 -6.576) 6.770 3.488 ( 0.508 -8.131 12.128) 14.610 4.159 ( 5.461 -0.345 8.634) 10.222 4.237 ( -12.708 6.578 8.195) 16.490 4.328 ( 6.174 6.860 -0.474) 9.241 4.599 ( -5.666 -0.652 3.091) 6.487 5.261 ( 7.740 -8.055 -8.863) 14.259 5.459 ( 0.089 12.775 4.560) 13.565 5.646 ( -4.695 1.399 0.790) 4.962 5.907 ( -5.361 -0.151 -1.771) 5.648 6.138 ( 1.508 1.364 0.448) 2.082 6.214 ( 3.794 -1.325 5.409) 6.738 6.436 ( 8.009 2.752 -8.520) 12.012 7.066 ( 3.267 0.962 -7.937) 8.637 7.447 ( 6.050 4.102 -1.830) 7.535 7.691 ( -5.195 -4.246 0.446) 6.724 7.747 ( 4.535 -8.631 -4.207) 10.619 7.891 ( -3.689 -8.205 -1.564) 9.131 8.413 ( 7.884 -1.378 -5.065) 9.472 8.653 ( -9.488 0.315 -6.602) 11.564 8.845 ( 5.287 4.599 1.052) 7.086 8.938 ( 5.156 1.198 -6.376) 8.287 9.083 ( -6.989 -2.484 7.308) 10.413 9.519 ( -9.512 2.440 12.242) 15.694 10.158 ( 2.274 -1.088 -11.687) 11.956 10.246 ( 7.126 -1.059 -3.855) 8.171 10.616 ( -5.307 2.326 -5.313) 7.861 10.797 ( 3.132 -3.920 -8.528) 9.895 11.895 ( -0.711 9.082 10.797) 14.127 12.072 ( -2.899 4.744 0.575) 5.589 12.361 ( -3.940 -13.253 9.750) 16.919 12.714 ( 1.583 -5.974 2.565) 6.692 13.769 ( 2.781 4.368 6.204) 8.081 13.906 ( -3.230 0.977 -1.760) 3.806 14.069 ( 7.301 -0.308 -0.075) 7.308 14.357 ( 4.069 1.986 3.497) 5.721 15.000 ( -16.620 -3.025 15.690) 23.055 16.180 ( -0.607 7.269 -14.749) 16.454 16.300 ( 1.021 0.321 -0.193) 1.088 16.482 ( -5.621 1.814 -5.613) 8.148 17.984 ( -0.855 -1.491 12.251) 12.371 18.210 ( 12.565 -6.283 7.661) 16.001 19.303 ( -1.293 2.260 -7.753) 8.179 19.363 ( 1.020 0.363 -8.552) 8.620 ======================= Grid point 271 (144/230) ======================= q-point: ( 0.11 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( 12.488 12.848 4.661) 18.514 2.763 ( 7.142 2.651 15.141) 16.950 2.855 ( 2.625 -6.156 2.014) 6.989 2.993 ( -0.892 3.706 -0.600) 3.859 3.132 ( 0.111 1.022 -1.180) 1.565 3.641 ( 3.839 -8.206 15.250) 17.738 4.043 ( -11.621 5.412 5.957) 14.136 4.297 ( -4.155 -4.152 0.945) 5.949 4.301 ( -0.910 -1.550 6.712) 6.948 4.625 ( 7.109 9.497 -0.494) 11.873 5.335 ( 4.954 -6.770 -5.567) 10.068 5.495 ( -4.170 6.749 -1.681) 8.109 5.539 ( -1.899 5.938 0.723) 6.276 5.819 ( -3.457 -0.829 3.967) 5.326 6.153 ( -0.674 3.706 1.783) 4.167 6.346 ( 5.938 -0.677 5.166) 7.900 6.555 ( 8.819 3.845 -9.021) 13.188 7.042 ( 0.263 1.952 -10.436) 10.620 7.469 ( -2.904 6.063 -0.490) 6.741 7.592 ( -4.646 -2.039 -1.275) 5.231 7.744 ( 0.035 -11.614 -4.063) 12.304 7.856 ( -0.611 -9.039 -0.697) 9.086 8.399 ( -9.973 -3.140 -3.882) 11.153 8.539 ( 7.655 -1.478 -4.163) 8.838 8.821 ( -4.185 -0.211 -3.580) 5.512 8.837 ( -3.830 -1.324 -6.362) 7.543 9.234 ( 7.634 2.392 7.079) 10.682 9.499 ( -2.376 2.450 10.738) 11.267 10.147 ( 5.122 0.016 -12.740) 13.731 10.329 ( 2.168 -0.836 1.117) 2.579 10.496 ( -3.601 1.363 -1.441) 4.112 10.828 ( 6.833 -3.228 -11.034) 13.374 11.888 ( -5.228 9.584 5.673) 12.304 11.949 ( -10.509 5.126 3.055) 12.085 12.348 ( -4.890 -12.116 12.467) 18.060 12.740 ( 0.044 -5.899 0.445) 5.916 13.816 ( -1.748 5.653 5.712) 8.224 13.914 ( 2.526 0.033 1.617) 3.000 14.262 ( 12.710 -0.757 -2.524) 12.980 14.435 ( 1.975 3.456 0.019) 3.980 14.869 ( -7.948 0.619 17.138) 18.902 16.008 ( -3.501 6.985 -13.137) 15.285 16.310 ( 0.185 0.031 0.777) 0.799 16.446 ( 0.969 1.143 -1.468) 2.098 17.983 ( -5.821 -2.426 7.379) 9.707 18.481 ( 10.011 -4.242 7.306) 13.099 19.195 ( -4.030 3.124 -10.295) 11.488 19.329 ( 1.261 -2.092 -6.376) 6.827 ======================= Grid point 272 (145/230) ======================= q-point: ( 0.22 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( 2.552 8.214 -2.789) 9.043 2.803 ( -5.221 -0.121 0.507) 5.247 3.009 ( 6.988 -3.589 2.256) 8.174 3.069 ( 7.921 3.726 1.507) 8.882 3.210 ( 7.276 3.071 10.487) 13.128 3.785 ( 2.024 -7.495 7.892) 11.071 3.885 ( -7.975 2.466 3.277) 8.968 4.169 ( -5.708 -11.859 5.440) 14.242 4.355 ( 0.158 4.423 0.624) 4.470 4.758 ( 5.441 13.909 -1.161) 14.980 5.274 ( -9.003 2.301 -11.386) 14.696 5.380 ( 0.938 2.439 1.056) 2.818 5.536 ( -4.381 2.915 2.952) 6.034 5.839 ( 1.700 -2.267 5.643) 6.315 6.131 ( -2.484 3.297 0.214) 4.134 6.496 ( 4.830 -0.250 6.067) 7.759 6.611 ( 4.955 4.546 -13.128) 14.750 6.922 ( -5.301 1.213 -8.144) 9.792 7.372 ( -7.574 3.669 -4.627) 9.604 7.497 ( -0.779 2.013 -5.434) 5.847 7.653 ( -7.105 -10.430 -0.173) 12.622 7.903 ( 4.496 -7.278 5.412) 10.122 8.241 ( -4.773 -5.568 -2.854) 7.870 8.611 ( 0.926 -0.250 -2.344) 2.532 8.770 ( 3.433 -3.160 -3.487) 5.825 8.819 ( 6.406 -5.008 -3.317) 8.782 9.344 ( 0.566 3.465 0.184) 3.516 9.485 ( -4.805 3.173 1.904) 6.064 10.170 ( 4.674 0.542 -8.421) 9.646 10.362 ( 0.197 -2.197 3.534) 4.166 10.497 ( 3.797 1.117 2.257) 4.556 10.883 ( 4.789 -3.446 -8.770) 10.570 11.740 ( -14.409 4.440 9.041) 17.580 11.822 ( -3.821 8.974 2.776) 10.141 12.332 ( -5.334 -10.265 10.233) 15.445 12.722 ( -1.131 -4.895 -2.313) 5.531 13.792 ( -5.996 5.680 8.288) 11.701 14.012 ( 7.526 0.418 1.886) 7.770 14.399 ( -2.476 4.481 -4.677) 6.934 14.452 ( 1.779 0.640 8.436) 8.646 14.957 ( 9.148 2.717 4.681) 10.629 15.921 ( 0.726 3.395 -6.247) 7.147 16.321 ( 0.220 -0.083 1.686) 1.703 16.461 ( 1.785 1.322 -1.229) 2.538 17.881 ( -7.557 -1.851 1.688) 7.962 18.672 ( 3.437 -1.631 7.997) 8.856 19.026 ( -3.347 0.854 -14.864) 15.260 19.324 ( 1.282 -1.562 -2.997) 3.614 ======================= Grid point 273 (146/230) ======================= q-point: ( 0.33 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( -8.758 -1.070 -0.796) 8.859 2.770 ( 0.799 5.372 -1.113) 5.544 3.015 ( -2.541 -2.270 -4.090) 5.323 3.289 ( 11.004 4.717 5.753) 13.283 3.491 ( 11.400 -0.692 5.682) 12.756 3.735 ( -5.941 -0.048 -2.012) 6.273 3.849 ( -3.117 -6.838 6.825) 10.152 4.166 ( 0.933 -4.106 1.796) 4.578 4.328 ( -1.820 3.394 0.094) 3.852 4.744 ( -7.061 10.342 -0.491) 12.532 5.075 ( -1.940 3.674 -11.963) 12.664 5.361 ( -4.212 10.827 4.074) 12.311 5.480 ( -0.340 -1.970 -0.272) 2.018 5.886 ( -3.156 1.706 5.732) 6.762 6.083 ( -0.757 -3.319 -0.837) 3.506 6.559 ( -3.559 2.403 4.816) 6.452 6.589 ( 3.147 4.913 -14.321) 15.464 6.783 ( -3.716 -2.013 -5.287) 6.768 7.182 ( -6.082 0.628 -6.286) 8.769 7.362 ( -6.753 -3.209 -8.460) 11.291 7.637 ( 2.320 -2.249 5.276) 6.187 8.066 ( 6.868 -1.559 7.194) 10.068 8.149 ( -2.897 -9.361 -2.241) 10.052 8.601 ( 0.333 0.025 -1.918) 1.946 8.894 ( 10.465 -5.313 -0.633) 11.753 8.980 ( 11.495 -3.601 -6.080) 13.493 9.258 ( -6.691 3.862 -6.455) 10.067 9.351 ( -7.784 2.623 -2.350) 8.544 10.223 ( 4.946 -0.014 -2.094) 5.371 10.401 ( 0.683 -3.266 6.088) 6.943 10.643 ( 8.765 1.344 1.661) 9.021 10.863 ( -1.936 -4.295 -5.708) 7.401 11.540 ( -13.957 3.685 13.380) 19.683 11.804 ( -0.192 9.469 2.212) 9.726 12.275 ( -6.524 -10.697 6.917) 14.312 12.670 ( -1.664 -4.044 -4.632) 6.370 13.723 ( -6.488 4.979 8.271) 11.631 14.185 ( 3.701 4.236 0.665) 5.664 14.294 ( 0.847 3.152 -2.989) 4.426 14.489 ( -6.680 2.015 17.186) 18.548 15.218 ( 16.975 1.637 -6.096) 18.111 15.904 ( -0.048 -0.158 -4.215) 4.219 16.348 ( 0.537 0.372 4.373) 4.421 16.516 ( 4.845 2.041 0.147) 5.260 17.732 ( -7.539 -0.611 -2.309) 7.909 18.630 ( -9.253 -0.189 -4.014) 10.088 18.970 ( 5.503 -1.241 -6.346) 8.491 19.331 ( 1.097 -0.332 -1.676) 2.031 ======================= Grid point 274 (147/230) ======================= q-point: (-0.56 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( -9.338 -2.563 4.088) 10.511 2.756 ( -4.383 1.774 3.236) 5.730 2.929 ( -0.223 -0.327 -8.963) 8.972 3.505 ( 2.658 1.481 -7.053) 7.681 3.528 ( -7.120 2.159 1.531) 7.596 3.625 ( -3.090 -0.734 1.523) 3.522 3.855 ( 0.866 -5.900 7.884) 9.885 4.100 ( -8.564 5.772 -1.482) 10.433 4.335 ( 1.661 1.553 -0.640) 2.363 4.599 ( -4.835 1.068 -3.418) 6.017 5.067 ( 8.836 5.237 -1.877) 10.442 5.370 ( 3.194 9.529 2.503) 10.357 5.491 ( 0.192 4.405 2.174) 4.916 5.766 ( -10.262 4.563 0.818) 11.260 6.116 ( 3.121 -7.801 1.503) 8.536 6.450 ( -8.101 5.220 1.117) 9.702 6.552 ( 1.884 4.420 -11.485) 12.450 6.678 ( -3.029 -5.739 -7.354) 9.808 7.086 ( -0.682 0.081 -3.855) 3.915 7.223 ( -3.285 -4.000 -3.718) 6.373 7.738 ( 3.958 -1.937 4.708) 6.449 8.072 ( -2.097 -7.791 -2.219) 8.368 8.268 ( 7.373 -2.403 6.642) 10.210 8.589 ( -0.344 0.540 -2.864) 2.934 9.020 ( -6.425 5.105 -5.842) 10.073 9.048 ( -7.108 3.996 -9.983) 12.890 9.143 ( 14.880 -4.863 -3.391) 16.018 9.295 ( 7.864 -4.811 -2.900) 9.664 10.328 ( 5.129 -0.862 3.035) 6.021 10.464 ( 0.373 -3.795 7.769) 8.654 10.740 ( -4.550 -3.960 -5.176) 7.948 10.818 ( 6.396 0.776 0.257) 6.448 11.405 ( -10.430 3.398 16.959) 20.197 11.810 ( -1.404 9.262 1.266) 9.453 12.197 ( -4.587 -11.820 3.818) 13.241 12.606 ( -1.214 -3.488 -5.495) 6.621 13.668 ( -4.767 5.126 7.576) 10.315 14.090 ( -4.831 4.594 -4.401) 7.988 14.371 ( -8.651 4.406 15.589) 18.365 14.539 ( 7.194 0.421 7.215) 10.197 15.487 ( 15.283 0.544 -7.464) 17.017 15.842 ( -2.211 -1.768 -6.418) 7.015 16.391 ( -0.980 0.697 7.617) 7.711 16.651 ( 8.360 2.868 1.528) 8.970 17.577 ( -6.029 0.082 -3.410) 6.927 18.368 ( -10.887 -2.263 -12.612) 16.814 19.061 ( 5.509 0.258 -0.813) 5.575 19.344 ( 1.506 0.701 -1.782) 2.436 ======================= Grid point 275 (148/230) ======================= q-point: (-0.44 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -7.119 -2.199 7.666) 10.690 2.623 ( -11.078 -1.722 1.334) 11.290 2.894 ( -0.442 3.404 -2.575) 4.291 3.125 ( -22.799 -1.358 -1.424) 22.884 3.462 ( -2.353 -1.790 -8.693) 9.182 3.698 ( 0.186 5.364 2.446) 5.898 3.845 ( -6.506 3.197 5.240) 8.945 3.968 ( 0.006 -5.278 -1.570) 5.507 4.402 ( 3.430 4.851 1.254) 6.072 4.481 ( -2.861 -0.005 -2.702) 3.935 5.347 ( 11.217 9.342 4.713) 15.340 5.444 ( -0.632 9.780 2.899) 10.220 5.543 ( 4.680 2.509 -1.137) 5.431 5.614 ( 2.580 0.780 -0.614) 2.765 6.149 ( -5.385 0.636 4.276) 6.906 6.316 ( -1.863 2.775 -6.432) 7.249 6.522 ( 3.833 -0.985 -5.670) 6.914 6.622 ( 1.988 -1.488 -5.713) 6.229 7.051 ( -2.562 -4.989 -4.215) 7.016 7.178 ( 1.520 -3.095 -1.732) 3.859 7.826 ( 1.566 -3.208 3.532) 5.021 8.037 ( 0.057 -9.244 -1.360) 9.344 8.421 ( 4.038 0.362 3.573) 5.404 8.526 ( -4.167 2.047 -4.709) 6.612 8.831 ( -5.334 4.077 -4.541) 8.106 8.865 ( -5.844 4.790 -5.198) 9.171 9.420 ( 16.403 -4.388 -5.896) 17.974 9.482 ( 13.125 -4.206 -7.597) 15.738 10.363 ( -9.123 -1.700 4.553) 10.336 10.500 ( 1.162 -4.734 4.600) 6.703 10.673 ( 1.603 -2.751 -0.764) 3.274 10.899 ( 1.539 0.982 0.491) 1.891 11.386 ( -3.899 3.812 17.504) 18.333 11.762 ( -3.529 5.413 1.437) 6.619 12.172 ( 0.249 -10.222 0.788) 10.256 12.558 ( -0.132 -3.134 -4.196) 5.239 13.644 ( -2.777 5.862 6.685) 9.315 14.001 ( -2.394 3.323 -0.753) 4.164 14.252 ( -12.709 2.072 14.199) 19.168 14.710 ( 2.868 1.144 6.981) 7.634 15.654 ( 5.347 1.563 -7.158) 9.070 15.796 ( 5.247 -3.128 -8.049) 10.104 16.384 ( -5.648 0.268 7.965) 9.768 16.845 ( 10.464 3.045 1.893) 11.061 17.488 ( -1.335 -0.314 0.311) 1.406 18.062 ( -10.920 -3.241 -15.450) 19.196 19.160 ( 5.118 1.990 -0.112) 5.493 19.365 ( 2.304 1.213 -2.834) 3.848 ======================= Grid point 276 (149/230) ======================= q-point: (-0.33 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( -9.031 -1.333 3.978) 9.958 2.371 ( -14.248 5.566 8.454) 17.478 2.767 ( -15.131 -5.567 7.488) 17.777 2.857 ( -4.145 1.403 5.193) 6.791 3.373 ( -1.990 -1.127 -5.243) 5.720 3.619 ( -2.143 3.450 -7.071) 8.155 3.862 ( 3.111 0.793 1.468) 3.530 3.958 ( -3.201 -1.968 6.418) 7.437 4.375 ( -1.738 -1.087 0.035) 2.051 4.567 ( 5.687 7.595 4.124) 10.345 5.347 ( -3.320 0.539 -6.135) 6.996 5.430 ( -2.516 14.568 4.659) 15.500 5.645 ( 6.498 2.244 1.750) 7.093 5.904 ( 15.611 2.492 -1.593) 15.889 6.007 ( -10.651 3.840 9.134) 14.547 6.256 ( 3.623 4.061 -17.288) 18.124 6.643 ( 0.564 -4.364 4.988) 6.651 6.694 ( 14.130 2.032 -1.771) 14.385 6.920 ( -4.361 -9.755 -8.275) 13.515 7.259 ( 7.181 -2.572 -1.227) 7.726 7.833 ( -2.068 -5.827 1.556) 6.376 8.054 ( 1.739 -8.849 -0.621) 9.039 8.384 ( -6.277 4.159 -3.737) 8.406 8.455 ( -0.628 3.776 0.443) 3.854 8.755 ( -0.819 3.259 -4.932) 5.968 8.820 ( 2.668 1.455 0.760) 3.132 9.634 ( 9.270 -1.050 -7.621) 12.046 9.691 ( 15.796 -4.715 -11.605) 20.160 10.113 ( -16.107 -3.325 0.836) 16.467 10.516 ( -5.008 -2.280 5.698) 7.921 10.722 ( 2.152 -2.074 0.333) 3.007 10.916 ( 0.606 0.596 0.048) 0.851 11.461 ( -1.188 3.146 17.665) 17.982 11.757 ( 2.792 2.533 2.519) 4.534 12.206 ( 3.030 -8.846 -0.645) 9.373 12.550 ( 1.199 -3.028 -1.093) 3.435 13.654 ( -0.681 6.679 6.169) 9.118 13.981 ( -1.384 2.985 3.760) 4.996 14.104 ( -10.425 -0.437 9.540) 14.138 14.689 ( -9.289 -0.359 5.059) 10.584 15.658 ( 0.976 4.101 -6.679) 7.898 15.880 ( 6.841 -5.440 -6.108) 10.663 16.304 ( -6.169 -0.016 5.704) 8.402 17.058 ( 10.219 1.426 -1.016) 10.368 17.540 ( 3.613 -0.824 7.200) 8.098 17.757 ( -9.598 -2.072 -13.073) 16.349 19.255 ( 5.070 3.400 -0.993) 6.185 19.389 ( 2.673 1.287 -4.666) 5.529 ======================= Grid point 277 (150/230) ======================= q-point: (-0.22 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -12.260 8.010 6.145) 15.882 2.335 ( -2.636 3.358 18.352) 18.842 2.620 ( -8.661 -3.059 14.029) 16.769 2.842 ( -1.052 -4.560 7.807) 9.103 3.306 ( -2.264 2.115 -3.449) 4.636 3.543 ( 0.328 -2.479 -11.686) 11.951 3.930 ( -2.054 -0.895 11.749) 11.961 3.999 ( 6.128 3.628 3.362) 7.875 4.374 ( -0.109 -1.656 3.274) 3.670 4.678 ( 2.077 10.427 4.481) 11.537 5.234 ( -3.471 0.387 -5.580) 6.583 5.432 ( 0.420 11.962 1.142) 12.023 5.759 ( 1.942 -0.966 3.615) 4.216 5.921 ( -2.995 2.109 6.671) 7.610 6.017 ( 2.899 8.336 -9.652) 13.079 6.265 ( 5.182 -0.925 -9.931) 11.240 6.558 ( -9.492 -7.778 -2.151) 12.458 6.909 ( 5.233 -5.915 1.836) 8.108 7.019 ( 19.176 6.218 -3.959) 20.544 7.419 ( 10.415 -3.578 -2.491) 11.291 7.796 ( -2.210 -8.513 1.142) 8.869 8.064 ( -0.716 -7.698 -1.148) 7.816 8.279 ( -1.999 2.888 -1.275) 3.736 8.476 ( 2.908 4.845 2.621) 6.229 8.731 ( 2.012 3.164 -5.287) 6.481 8.893 ( 3.631 0.669 -0.908) 3.802 9.641 ( -9.129 1.370 -2.299) 9.513 9.776 ( -4.241 -4.907 -6.596) 9.251 9.949 ( 10.152 -1.883 -9.839) 14.262 10.397 ( -9.778 -1.584 4.409) 10.842 10.742 ( 0.710 -1.552 -2.337) 2.894 10.905 ( -0.904 0.163 -4.120) 4.221 11.594 ( 1.777 2.163 20.377) 20.568 11.889 ( 8.285 2.784 1.643) 8.893 12.271 ( 3.616 -9.264 0.448) 9.955 12.587 ( 2.166 -3.296 2.099) 4.467 13.694 ( -0.272 7.029 6.699) 9.714 13.935 ( -6.254 1.312 5.993) 8.761 14.057 ( -0.032 -0.653 5.300) 5.340 14.472 ( -13.488 -1.167 0.695) 13.556 15.531 ( -12.489 -1.155 1.451) 12.626 16.006 ( 10.896 -1.175 -6.937) 12.970 16.263 ( -1.346 0.534 3.026) 3.355 17.087 ( -4.657 0.096 -16.330) 16.981 17.632 ( 5.044 -0.201 2.958) 5.850 17.713 ( 5.316 -2.180 12.641) 13.885 19.335 ( 4.520 3.928 -2.990) 6.693 19.396 ( 1.938 1.131 -6.912) 7.267 ======================= Grid point 278 (151/230) ======================= q-point: (-0.11 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 2.660 12.888 12.418) 18.094 2.444 ( -0.264 3.576 19.759) 20.081 2.614 ( -1.880 -2.749 13.780) 14.176 2.931 ( 3.265 -5.788 10.041) 12.041 3.230 ( -2.226 4.747 -6.109) 8.050 3.477 ( -1.488 -6.659 -2.852) 7.395 4.008 ( 2.459 -1.230 11.289) 11.619 4.168 ( 8.676 6.521 1.736) 10.991 4.370 ( -5.824 2.398 7.803) 10.027 4.683 ( -4.210 7.537 3.700) 9.392 5.191 ( 4.095 -3.485 -7.252) 9.028 5.444 ( -0.204 11.336 1.551) 11.444 5.732 ( -5.847 0.082 4.033) 7.103 5.957 ( 3.074 1.760 -4.841) 5.999 6.051 ( 4.214 3.993 3.407) 6.731 6.228 ( -4.166 -5.330 -3.887) 7.802 6.408 ( 0.397 -1.647 -8.760) 8.922 7.021 ( 4.895 -2.589 -1.245) 5.676 7.299 ( 11.960 7.457 -3.963) 14.641 7.607 ( 10.794 -4.021 -3.414) 12.014 7.765 ( -2.543 -10.456 1.376) 10.848 7.999 ( -4.986 -6.168 -1.247) 8.028 8.305 ( 5.329 -0.777 -2.212) 5.822 8.620 ( 9.335 4.497 4.973) 11.493 8.756 ( 3.223 4.853 -4.674) 7.469 8.917 ( 1.020 -0.228 -5.335) 5.436 9.329 ( -18.321 -2.289 2.779) 18.671 9.660 ( -7.994 1.520 1.636) 8.300 10.103 ( 11.297 -0.994 -10.363) 15.363 10.248 ( -5.136 -2.463 -3.189) 6.528 10.719 ( -0.901 0.673 -5.278) 5.396 10.835 ( -1.956 -2.207 -5.680) 6.400 11.775 ( 2.483 4.984 17.710) 18.564 12.042 ( 5.554 3.885 0.281) 6.783 12.339 ( 1.404 -11.567 4.152) 12.370 12.652 ( 2.395 -4.347 3.441) 6.039 13.712 ( -1.794 4.776 6.665) 8.393 13.923 ( 1.939 1.652 2.464) 3.544 14.061 ( -5.015 -0.016 2.780) 5.734 14.293 ( -2.229 -0.435 1.236) 2.585 15.259 ( -18.279 -4.127 9.267) 20.905 16.159 ( 9.198 3.013 -8.393) 12.812 16.274 ( 0.511 0.500 1.696) 1.841 16.769 ( -12.685 2.792 -17.550) 21.834 17.843 ( 8.108 -0.527 9.299) 12.348 17.927 ( 8.413 -5.529 12.891) 16.356 19.366 ( 0.270 1.260 -7.742) 7.849 19.378 ( 2.970 2.934 -6.406) 7.646 ======================= Grid point 279 (152/230) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 14.777 -0.000 6.175) 16.015 2.525 ( 5.314 0.000 14.289) 15.245 2.726 ( 0.544 0.000 5.921) 5.946 3.021 ( 1.995 -0.000 12.304) 12.464 3.217 ( -1.765 -0.000 -13.294) 13.411 3.366 ( 0.323 0.000 16.102) 16.106 4.154 ( 5.974 0.000 9.882) 11.548 4.251 ( -8.054 0.000 7.390) 10.931 4.522 ( -16.624 0.000 0.160) 16.625 4.531 ( 9.976 -0.000 3.017) 10.422 5.171 ( 5.897 0.000 -10.429) 11.980 5.597 ( 2.141 0.000 -2.732) 3.471 5.670 ( -5.901 0.000 7.309) 9.394 5.895 ( -6.506 0.000 2.452) 6.953 6.161 ( 1.123 0.000 3.566) 3.739 6.188 ( 5.289 -0.000 4.823) 7.158 6.464 ( 8.624 -0.000 -7.859) 11.668 7.075 ( 4.881 0.000 -7.272) 8.758 7.537 ( 3.320 -0.000 -2.526) 4.172 7.549 ( 2.090 0.000 -3.279) 3.888 7.727 ( 3.793 0.000 -3.391) 5.088 7.789 ( -7.829 0.000 -2.324) 8.167 8.396 ( 8.282 0.000 -5.164) 9.760 8.655 ( -12.599 0.000 -5.955) 13.936 8.899 ( 1.995 0.000 -2.990) 3.594 8.947 ( 7.191 0.000 -5.365) 8.972 9.055 ( -4.897 -0.000 8.817) 10.086 9.545 ( -9.788 0.000 12.312) 15.729 10.147 ( 2.821 0.000 -12.113) 12.437 10.236 ( 7.482 0.000 -3.419) 8.226 10.653 ( -6.635 0.000 -5.536) 8.641 10.742 ( 4.527 -0.000 -8.556) 9.679 12.036 ( 1.980 0.000 18.128) 18.236 12.142 ( -4.098 0.000 6.123) 7.368 12.155 ( -4.742 0.000 -0.689) 4.792 12.659 ( 1.123 0.000 2.409) 2.658 13.806 ( 4.683 0.000 4.074) 6.207 13.922 ( -4.704 -0.000 -2.280) 5.227 14.066 ( 6.628 0.000 1.893) 6.893 14.376 ( 5.013 0.000 4.234) 6.562 14.972 ( -15.463 0.000 16.061) 22.295 16.258 ( 1.728 -0.000 -15.692) 15.787 16.295 ( 0.268 0.000 1.555) 1.578 16.501 ( -6.564 0.000 -6.952) 9.561 17.969 ( -1.936 0.000 12.596) 12.744 18.149 ( 13.469 -0.000 7.284) 15.313 19.328 ( 0.669 0.000 -8.181) 8.209 19.363 ( -1.678 -0.000 -8.158) 8.329 ======================= Grid point 281 (153/230) ======================= q-point: ( 0.11 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( 13.114 0.000 -0.218) 13.116 2.729 ( 7.381 -0.000 5.956) 9.484 2.801 ( 3.180 -0.000 6.180) 6.950 3.052 ( -1.814 0.000 5.406) 5.702 3.142 ( 1.890 0.000 -7.334) 7.574 3.541 ( 2.702 0.000 20.928) 21.102 4.105 ( -11.198 0.000 9.397) 14.618 4.201 ( -15.912 0.000 -0.146) 15.912 4.320 ( 5.166 0.000 5.078) 7.244 4.758 ( 11.673 -0.000 -0.031) 11.673 5.219 ( 5.592 0.000 -6.136) 8.302 5.538 ( -7.112 0.000 -9.511) 11.876 5.663 ( 4.552 -0.000 2.347) 5.121 5.800 ( -9.217 0.000 10.659) 14.091 6.198 ( -0.936 0.000 5.173) 5.257 6.328 ( 5.994 0.000 5.489) 8.127 6.594 ( 9.207 0.000 -8.697) 12.665 7.065 ( 0.222 -0.000 -11.092) 11.094 7.539 ( -1.192 -0.000 -4.281) 4.444 7.588 ( 2.813 -0.000 0.146) 2.816 7.629 ( -6.170 0.000 -1.708) 6.402 7.730 ( -1.141 0.000 -2.355) 2.617 8.364 ( -12.094 0.000 -2.585) 12.368 8.524 ( 8.347 0.000 -4.707) 9.582 8.820 ( -6.189 -0.000 -2.708) 6.756 8.824 ( -4.598 0.000 -9.047) 10.148 9.259 ( 8.405 0.000 7.173) 11.050 9.527 ( -1.783 0.000 10.370) 10.523 10.148 ( 6.013 0.000 -13.817) 15.068 10.319 ( 1.305 0.000 2.498) 2.818 10.513 ( -4.085 0.000 -2.033) 4.563 10.789 ( 7.274 -0.000 -11.130) 13.296 12.001 ( -11.450 0.000 4.538) 12.317 12.034 ( -7.070 0.000 0.746) 7.109 12.176 ( -2.257 -0.000 18.082) 18.222 12.685 ( 0.667 0.000 -0.159) 0.685 13.891 ( 2.845 -0.000 -1.068) 3.039 13.894 ( -1.669 0.000 7.462) 7.647 14.253 ( 12.947 0.000 -2.485) 13.184 14.470 ( 2.040 0.000 0.678) 2.150 14.875 ( -6.098 0.000 17.957) 18.965 16.081 ( -4.235 0.000 -15.381) 15.953 16.307 ( 0.020 0.000 1.321) 1.322 16.457 ( 0.983 0.000 -1.442) 1.745 17.959 ( -5.686 0.000 7.029) 9.041 18.438 ( 10.987 -0.000 7.614) 13.367 19.231 ( -5.016 0.000 -11.556) 12.597 19.303 ( 1.394 0.000 -4.686) 4.889 ======================= Grid point 283 (154/230) ======================= q-point: ( 0.22 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( -4.924 0.000 -4.996) 7.015 2.811 ( 4.224 -0.000 -8.250) 9.269 2.966 ( 5.265 0.000 7.529) 9.187 3.179 ( 10.303 0.000 7.019) 12.466 3.192 ( 5.388 -0.000 2.136) 5.796 3.698 ( 0.470 0.000 14.693) 14.700 3.935 ( -11.156 0.000 -1.018) 11.202 4.016 ( -2.725 -0.000 7.620) 8.093 4.399 ( 0.568 -0.000 1.426) 1.535 4.938 ( 5.887 0.000 -1.137) 5.996 5.299 ( -8.448 -0.000 -13.132) 15.615 5.314 ( 6.217 0.000 -0.071) 6.218 5.654 ( -11.866 -0.000 6.475) 13.517 5.775 ( 3.742 0.000 4.852) 6.127 6.179 ( -3.879 0.000 2.540) 4.637 6.482 ( 4.533 0.000 7.741) 8.971 6.660 ( 5.461 0.000 -12.876) 13.986 6.943 ( -4.154 -0.000 -11.598) 12.320 7.385 ( -9.184 0.000 -6.537) 11.272 7.514 ( -9.240 0.000 -3.362) 9.833 7.597 ( 1.207 -0.000 1.661) 2.053 7.797 ( 6.932 0.000 7.139) 9.951 8.184 ( -5.361 0.000 -3.745) 6.539 8.608 ( 1.289 0.000 -2.704) 2.996 8.740 ( 1.860 0.000 -4.770) 5.120 8.769 ( 6.129 0.000 -3.457) 7.037 9.379 ( 0.883 0.000 0.357) 0.953 9.521 ( -4.420 0.000 1.596) 4.699 10.178 ( 5.472 0.000 -10.245) 11.615 10.335 ( -1.431 -0.000 5.325) 5.514 10.509 ( 4.053 0.000 1.695) 4.393 10.844 ( 4.519 0.000 -8.895) 9.977 11.786 ( -15.189 0.000 9.792) 18.072 11.931 ( -3.684 0.000 1.437) 3.955 12.208 ( -5.243 -0.000 12.212) 13.290 12.677 ( -0.381 0.000 -2.948) 2.972 13.852 ( -7.010 -0.000 8.138) 10.741 14.012 ( 9.168 0.000 1.740) 9.332 14.443 ( -3.259 0.000 -4.612) 5.647 14.454 ( 4.482 0.000 7.256) 8.529 14.986 ( 8.411 0.000 6.621) 10.704 15.956 ( -0.407 0.000 -9.179) 9.188 16.319 ( 0.200 0.000 2.125) 2.134 16.474 ( 1.975 0.000 -1.103) 2.262 17.864 ( -6.854 0.000 1.413) 6.998 18.654 ( 4.929 0.000 8.338) 9.686 19.032 ( -5.074 0.000 -15.448) 16.260 19.312 ( 1.576 0.000 -1.844) 2.425 ======================= Grid point 285 (155/230) ======================= q-point: ( 0.33 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( -10.005 0.000 -1.454) 10.110 2.825 ( 2.228 0.000 -6.088) 6.483 2.990 ( -2.880 0.000 -2.615) 3.890 3.400 ( 11.459 0.000 6.125) 12.993 3.432 ( 10.946 -0.000 2.869) 11.316 3.726 ( -6.158 0.000 3.071) 6.881 3.773 ( -5.501 0.000 4.337) 7.005 4.114 ( 7.225 -0.000 3.903) 8.212 4.371 ( -3.012 0.000 -0.263) 3.024 4.846 ( -13.978 0.000 -1.015) 14.015 5.142 ( 1.008 0.000 -13.905) 13.941 5.436 ( 5.113 -0.000 2.934) 5.895 5.492 ( -6.281 0.000 4.392) 7.664 5.842 ( -0.549 0.000 4.253) 4.288 6.099 ( -5.000 0.000 0.791) 5.062 6.560 ( -3.224 -0.000 9.163) 9.714 6.654 ( 3.953 0.000 -14.369) 14.903 6.772 ( -4.909 0.000 -12.286) 13.231 7.185 ( -5.976 0.000 -4.720) 7.615 7.299 ( -9.880 -0.000 -1.699) 10.025 7.659 ( 3.472 -0.000 2.700) 4.398 7.987 ( 4.934 0.000 3.087) 5.820 8.094 ( 0.312 0.000 0.255) 0.403 8.601 ( 0.722 0.000 -2.309) 2.420 8.843 ( 10.511 -0.000 -1.448) 10.611 8.939 ( 12.562 0.000 -4.950) 13.502 9.298 ( -6.670 0.000 -6.164) 9.082 9.383 ( -8.422 0.000 -3.450) 9.101 10.227 ( 5.170 0.000 -4.157) 6.634 10.363 ( -0.154 -0.000 7.837) 7.838 10.658 ( 8.968 0.000 1.425) 9.081 10.816 ( -2.166 0.000 -6.100) 6.473 11.577 ( -14.602 0.000 14.195) 20.365 11.924 ( 1.675 0.000 1.246) 2.088 12.141 ( -8.726 -0.000 7.804) 11.707 12.634 ( -1.123 0.000 -5.090) 5.213 13.772 ( -6.514 0.000 7.812) 10.171 14.224 ( 6.444 -0.000 3.024) 7.119 14.328 ( -0.031 0.000 -5.631) 5.631 14.505 ( -7.400 0.000 17.292) 18.808 15.237 ( 16.164 0.000 -5.650) 17.123 15.902 ( -0.618 0.000 -6.932) 6.959 16.351 ( 0.707 -0.000 4.941) 4.991 16.537 ( 5.283 0.000 0.174) 5.286 17.727 ( -6.885 0.000 -2.499) 7.325 18.628 ( -10.082 0.000 -4.084) 10.878 18.952 ( 5.861 0.000 -6.064) 8.433 19.332 ( 1.444 0.000 -0.926) 1.715 ======================= Grid point 287 (156/230) ======================= q-point: (-0.56 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( -8.788 0.000 2.484) 9.133 2.767 ( -8.253 0.000 3.636) 9.018 2.932 ( 3.000 0.000 -10.280) 10.709 3.506 ( -7.797 0.000 -7.292) 10.676 3.579 ( -7.684 0.000 -4.669) 8.991 3.637 ( 9.922 0.000 0.774) 9.952 3.747 ( 0.303 0.000 13.958) 13.961 4.164 ( -8.162 -0.000 -1.551) 8.308 4.351 ( 1.957 0.000 1.791) 2.653 4.606 ( -6.813 0.000 -2.822) 7.374 5.128 ( 8.874 0.000 -3.889) 9.689 5.496 ( 2.788 -0.000 1.921) 3.386 5.537 ( 2.684 0.000 3.995) 4.813 5.771 ( -9.639 0.000 0.130) 9.640 6.062 ( 2.656 0.000 1.888) 3.258 6.473 ( -12.181 0.000 8.824) 15.042 6.620 ( -0.945 -0.000 -14.299) 14.331 6.624 ( 3.190 0.000 -11.978) 12.396 7.111 ( -0.268 -0.000 -1.004) 1.039 7.135 ( -6.773 0.000 -1.407) 6.917 7.758 ( 4.724 0.000 2.552) 5.369 7.950 ( -2.927 0.000 -3.422) 4.503 8.257 ( 8.142 0.000 6.557) 10.454 8.594 ( 0.029 0.000 -3.047) 3.047 9.070 ( -2.080 0.000 1.167) 2.385 9.088 ( -0.260 0.000 -8.121) 8.125 9.098 ( 7.994 -0.000 -12.067) 14.474 9.246 ( 4.690 0.000 -3.094) 5.619 10.325 ( 6.019 0.000 0.960) 6.095 10.421 ( -1.083 0.000 9.343) 9.405 10.698 ( -5.071 0.000 -5.025) 7.139 10.826 ( 7.290 0.000 -0.269) 7.295 11.439 ( -10.592 0.000 17.708) 20.634 11.987 ( 3.906 0.000 -0.374) 3.924 11.993 ( -10.688 -0.000 4.808) 11.719 12.575 ( -0.896 0.000 -5.679) 5.750 13.718 ( -4.374 0.000 7.183) 8.410 14.134 ( -5.422 0.000 -4.431) 7.002 14.425 ( -12.802 0.000 17.729) 21.868 14.531 ( 11.002 -0.000 5.471) 12.288 15.496 ( 15.259 0.000 -8.311) 17.376 15.823 ( -1.980 0.000 -8.161) 8.398 16.398 ( -1.114 0.000 7.938) 8.015 16.679 ( 8.745 0.000 1.274) 8.837 17.578 ( -5.920 0.000 -3.614) 6.936 18.345 ( -11.877 0.000 -12.497) 17.241 19.060 ( 6.260 0.000 -0.218) 6.263 19.354 ( 1.730 0.000 -1.419) 2.238 ======================= Grid point 289 (157/230) ======================= q-point: (-0.44 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -5.879 0.000 4.760) 7.565 2.604 ( -10.578 0.000 4.219) 11.388 2.928 ( 0.297 0.000 -3.686) 3.698 3.112 ( -24.269 0.000 -1.849) 24.339 3.443 ( -2.593 0.000 -9.089) 9.452 3.766 ( 1.972 0.000 -1.070) 2.243 3.866 ( -0.147 0.000 14.014) 14.014 3.907 ( -8.769 0.000 -6.637) 10.997 4.465 ( -5.604 -0.000 -4.664) 7.291 4.467 ( 7.076 0.000 4.225) 8.241 5.464 ( 20.382 0.000 4.553) 20.884 5.539 ( -10.073 -0.000 -5.841) 11.644 5.588 ( 0.001 0.000 3.657) 3.657 5.590 ( 7.498 -0.000 -0.123) 7.499 6.213 ( 9.520 0.000 1.652) 9.662 6.259 ( -15.187 0.000 9.473) 17.899 6.536 ( 2.213 -0.000 -13.359) 13.541 6.631 ( 3.949 -0.000 -5.628) 6.876 6.981 ( -7.339 0.000 -5.831) 9.374 7.138 ( 2.529 0.000 1.550) 2.966 7.864 ( 4.677 -0.000 1.559) 4.930 7.872 ( -3.185 0.000 -2.465) 4.028 8.429 ( 5.334 0.000 3.756) 6.524 8.544 ( -2.986 0.000 -4.444) 5.354 8.874 ( -6.180 0.000 -4.118) 7.427 8.917 ( -6.986 -0.000 -5.545) 8.919 9.373 ( 17.421 -0.000 -7.264) 18.874 9.440 ( 13.756 0.000 -6.724) 15.312 10.350 ( -12.062 0.000 3.986) 12.703 10.449 ( 4.120 -0.000 4.077) 5.796 10.645 ( 2.042 0.000 0.072) 2.043 10.909 ( 1.434 0.000 0.406) 1.491 11.426 ( -3.942 0.000 18.557) 18.971 11.829 ( -8.287 0.000 3.601) 9.036 12.054 ( 4.228 -0.000 -2.890) 5.121 12.532 ( -0.019 0.000 -4.152) 4.152 13.701 ( -2.200 0.000 6.476) 6.839 14.033 ( -2.842 0.000 -1.259) 3.108 14.275 ( -13.984 0.000 14.650) 20.253 14.717 ( 2.375 0.000 7.272) 7.650 15.686 ( 9.278 0.000 -6.943) 11.588 15.750 ( 2.361 0.000 -10.464) 10.727 16.388 ( -6.018 -0.000 8.169) 10.146 16.874 ( 10.407 0.000 1.242) 10.481 17.485 ( -1.680 0.000 0.146) 1.687 18.030 ( -11.177 0.000 -14.543) 18.341 19.176 ( 5.873 0.000 0.231) 5.878 19.380 ( 2.400 0.000 -2.867) 3.739 ======================= Grid point 291 (158/230) ======================= q-point: (-0.33 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -5.904 -0.000 2.148) 6.282 2.438 ( -10.107 0.000 6.749) 12.153 2.699 ( -18.168 0.000 10.267) 20.869 2.872 ( -6.396 0.000 4.576) 7.864 3.358 ( -0.890 0.000 -5.783) 5.851 3.652 ( -4.194 0.000 -9.034) 9.960 3.892 ( 5.731 -0.000 -3.690) 6.816 3.913 ( -4.261 0.000 13.490) 14.147 4.365 ( -2.638 0.000 -0.453) 2.677 4.642 ( 7.354 0.000 4.513) 8.629 5.352 ( -4.417 0.000 -8.410) 9.499 5.598 ( -0.569 0.000 1.894) 1.977 5.657 ( 4.726 0.000 1.271) 4.894 5.940 ( 17.025 -0.000 3.551) 17.392 6.060 ( -12.286 0.000 12.378) 17.441 6.296 ( 2.322 -0.000 -15.390) 15.565 6.614 ( 9.944 -0.000 3.786) 10.640 6.663 ( -6.150 0.000 3.525) 7.089 6.838 ( 7.769 -0.000 -15.222) 17.090 7.225 ( 5.502 0.000 1.583) 5.725 7.792 ( -3.416 -0.000 -2.445) 4.201 7.947 ( 3.119 0.000 0.048) 3.119 8.424 ( -5.602 0.000 -4.356) 7.097 8.491 ( 0.541 -0.000 0.279) 0.608 8.799 ( -1.897 0.000 -4.485) 4.870 8.829 ( 2.176 -0.000 0.581) 2.252 9.628 ( 10.900 -0.000 -8.991) 14.130 9.639 ( 15.933 0.000 -10.277) 18.960 10.081 ( -16.301 0.000 0.811) 16.321 10.492 ( -3.958 0.000 5.476) 6.757 10.700 ( 2.182 0.000 0.666) 2.281 10.922 ( 0.377 0.000 0.122) 0.396 11.497 ( -2.997 0.000 20.251) 20.472 11.782 ( 1.910 0.000 3.397) 3.897 12.115 ( 4.753 0.000 -4.197) 6.341 12.524 ( 1.116 0.000 -1.050) 1.532 13.721 ( -0.259 0.000 6.212) 6.218 14.009 ( -0.138 0.000 2.388) 2.392 14.100 ( -12.884 -0.000 10.577) 16.670 14.683 ( -9.923 0.000 4.914) 11.073 15.716 ( -3.429 0.000 -3.633) 4.995 15.811 ( 11.128 0.000 -10.022) 14.976 16.305 ( -5.972 -0.000 5.758) 8.296 17.071 ( 9.276 0.000 -2.118) 9.515 17.531 ( 3.501 0.000 7.413) 8.198 17.737 ( -9.064 0.000 -11.860) 14.927 19.285 ( 5.528 0.000 -0.770) 5.582 19.403 ( 2.755 0.000 -5.122) 5.815 ======================= Grid point 293 (159/230) ======================= q-point: (-0.22 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( -5.462 -0.000 2.960) 6.212 2.336 ( -6.720 0.000 12.514) 14.204 2.628 ( -2.349 0.000 22.081) 22.206 2.772 ( -7.024 0.000 6.413) 9.511 3.326 ( -0.269 0.000 -1.304) 1.331 3.516 ( -1.831 0.000 -15.979) 16.083 3.920 ( -3.098 0.000 12.507) 12.886 4.032 ( 8.508 0.000 3.436) 9.176 4.354 ( 0.387 0.000 2.761) 2.788 4.786 ( 3.710 0.000 4.529) 5.855 5.225 ( -3.127 0.000 -9.684) 10.177 5.606 ( 1.257 0.000 -1.756) 2.160 5.739 ( -0.085 -0.000 7.038) 7.039 5.937 ( -7.961 0.000 15.907) 17.788 6.158 ( 3.965 -0.000 -4.195) 5.773 6.197 ( -0.144 0.000 -14.599) 14.600 6.468 ( -6.876 -0.000 -6.359) 9.366 6.839 ( 8.627 0.000 4.777) 9.862 7.103 ( 20.952 -0.000 -5.160) 21.578 7.366 ( 8.194 0.000 -0.208) 8.196 7.716 ( -2.483 -0.000 -2.408) 3.459 7.977 ( 0.362 0.000 -1.370) 1.417 8.309 ( -2.985 0.000 -3.006) 4.236 8.521 ( 3.274 -0.000 1.627) 3.656 8.774 ( 2.118 0.000 -3.897) 4.435 8.895 ( 3.396 0.000 -1.220) 3.608 9.664 ( -15.548 -0.000 -1.736) 15.644 9.718 ( 4.196 0.000 -7.779) 8.839 9.930 ( 10.301 0.000 -9.150) 13.778 10.380 ( -9.996 0.000 4.473) 10.951 10.725 ( 1.025 0.000 -1.901) 2.160 10.906 ( -1.185 -0.000 -4.674) 4.822 11.619 ( 0.443 0.000 25.283) 25.287 11.918 ( 8.647 0.000 2.298) 8.947 12.176 ( 4.184 0.000 -3.763) 5.627 12.558 ( 1.862 0.000 2.089) 2.798 13.765 ( -0.799 0.000 7.085) 7.130 13.947 ( -7.511 0.000 5.645) 9.396 14.050 ( 1.329 -0.000 4.977) 5.152 14.458 ( -13.603 0.000 0.551) 13.614 15.516 ( -15.648 0.000 2.850) 15.905 16.001 ( 13.840 0.000 -8.080) 16.026 16.269 ( -1.247 -0.000 3.019) 3.266 17.088 ( -3.878 0.000 -15.718) 16.189 17.631 ( 4.138 -0.000 2.133) 4.656 17.690 ( 4.970 0.000 13.038) 13.953 19.370 ( 4.370 -0.000 -2.678) 5.125 19.408 ( 2.087 0.000 -7.740) 8.017 ======================= Grid point 295 (160/230) ======================= q-point: (-0.11 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 6.424 -0.000 7.692) 10.022 2.366 ( -0.192 0.000 15.843) 15.844 2.712 ( -3.468 0.000 6.129) 7.042 2.817 ( 4.181 -0.000 23.132) 23.507 3.321 ( -1.240 -0.000 4.123) 4.305 3.363 ( -2.646 0.000 -15.770) 15.990 3.994 ( 2.296 0.000 11.853) 12.074 4.221 ( 7.751 0.000 2.122) 8.036 4.398 ( 0.285 0.000 7.580) 7.585 4.778 ( -9.292 0.000 3.706) 10.004 5.141 ( 3.563 0.000 -11.543) 12.080 5.604 ( 0.998 0.000 -5.414) 5.505 5.719 ( -9.533 -0.000 18.940) 21.203 5.971 ( 1.441 0.000 0.734) 1.617 6.104 ( -2.193 -0.000 -0.564) 2.264 6.136 ( 1.012 0.000 -4.496) 4.608 6.401 ( 3.850 -0.000 -8.663) 9.480 6.993 ( 6.360 0.000 -0.917) 6.426 7.424 ( 13.275 -0.000 -4.199) 13.924 7.498 ( 5.712 0.000 -2.462) 6.220 7.681 ( 1.077 -0.000 -1.991) 2.264 7.929 ( -4.646 0.000 -1.637) 4.925 8.297 ( 4.306 0.000 -3.741) 5.703 8.663 ( 9.267 0.000 3.631) 9.953 8.826 ( 5.298 0.000 -2.416) 5.823 8.899 ( -1.066 0.000 -6.313) 6.402 9.304 ( -19.045 -0.000 2.140) 19.165 9.677 ( -6.308 0.000 1.613) 6.511 10.094 ( 11.588 0.000 -9.295) 14.855 10.223 ( -5.422 -0.000 -3.619) 6.519 10.727 ( 1.872 0.000 -4.669) 5.030 10.808 ( -4.775 -0.000 -6.473) 8.044 11.834 ( 2.934 0.000 25.151) 25.322 12.090 ( 6.525 -0.000 1.684) 6.739 12.206 ( 0.627 0.000 -2.464) 2.543 12.612 ( 1.574 0.000 3.504) 3.841 13.752 ( -2.837 0.000 5.347) 6.053 13.950 ( 3.236 0.000 3.943) 5.101 14.059 ( -6.086 0.000 1.678) 6.313 14.285 ( -1.167 -0.000 2.012) 2.326 15.219 ( -18.695 0.000 9.954) 21.180 16.191 ( 10.954 0.000 -8.149) 13.653 16.278 ( 0.135 -0.000 1.938) 1.943 16.796 ( -11.676 0.000 -17.809) 21.295 17.846 ( 12.460 0.000 6.857) 14.222 17.865 ( 2.615 -0.000 14.968) 15.195 19.377 ( 0.864 0.000 -9.349) 9.389 19.405 ( 1.864 -0.000 -5.213) 5.536 ======================= Grid point 324 (161/230) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 10.976 0.000 13.489) 17.390 2.326 ( -7.340 0.000 13.433) 15.307 2.992 ( -1.429 0.000 5.363) 5.550 3.069 ( 2.681 0.000 1.164) 2.923 3.463 ( -1.756 0.000 1.805) 2.518 3.650 ( -1.563 0.000 4.842) 5.088 3.959 ( -1.948 0.000 9.075) 9.282 4.217 ( -0.553 0.000 11.077) 11.090 4.323 ( 5.821 0.000 -7.119) 9.196 4.612 ( 5.309 0.000 -10.324) 11.609 5.019 ( -4.135 0.000 18.916) 19.363 5.545 ( 0.305 0.000 0.684) 0.750 5.552 ( 2.841 0.000 -3.485) 4.496 5.701 ( 1.387 0.000 -7.018) 7.153 5.995 ( -4.257 0.000 -1.848) 4.641 6.114 ( 12.901 0.000 -2.445) 13.131 6.337 ( -4.979 0.000 2.922) 5.772 6.783 ( -1.196 0.000 -16.219) 16.263 7.435 ( 1.905 0.000 5.404) 5.730 7.671 ( 1.726 0.000 -5.755) 6.009 8.208 ( -1.733 0.000 -8.961) 9.127 8.233 ( 0.521 0.000 -6.747) 6.768 8.458 ( -0.548 0.000 2.253) 2.319 8.467 ( 1.663 0.000 0.302) 1.690 8.763 ( 3.257 0.000 3.494) 4.776 8.807 ( 4.618 0.000 0.745) 4.678 9.428 ( -10.035 0.000 10.396) 14.449 9.611 ( 2.546 0.000 8.028) 8.422 10.131 ( -7.974 0.000 -4.497) 9.154 10.236 ( 13.274 0.000 -3.043) 13.618 10.471 ( -5.654 0.000 -3.230) 6.511 10.584 ( -0.791 0.000 -10.570) 10.600 11.657 ( -0.910 0.000 3.816) 3.923 11.791 ( -2.039 0.000 -2.864) 3.515 12.981 ( -3.241 0.000 9.486) 10.024 13.307 ( 4.914 0.000 -7.050) 8.593 13.582 ( 1.316 0.000 9.209) 9.302 13.898 ( -4.631 0.000 -4.954) 6.781 14.003 ( -1.946 0.000 1.157) 2.264 14.094 ( 5.483 0.000 -3.409) 6.456 15.451 ( -25.163 0.000 2.366) 25.274 15.511 ( 8.743 0.000 -1.304) 8.839 16.279 ( 0.201 0.000 1.456) 1.470 16.345 ( 0.213 0.000 -1.780) 1.792 18.322 ( 0.719 0.000 13.873) 13.892 18.832 ( 8.253 0.000 -11.437) 14.104 18.890 ( -6.861 0.000 6.354) 9.351 19.165 ( 6.722 0.000 -7.307) 9.928 ======================= Grid point 325 (162/230) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( -1.564 0.000 8.721) 8.861 2.612 ( 15.268 0.000 2.705) 15.506 3.020 ( 2.670 0.000 0.704) 2.761 3.153 ( 2.779 0.000 9.087) 9.503 3.452 ( -3.269 0.000 8.169) 8.799 3.616 ( 0.720 0.000 -9.520) 9.548 3.917 ( -9.377 0.000 12.264) 15.438 4.314 ( 2.633 0.000 7.298) 7.758 4.317 ( 0.712 0.000 -13.175) 13.194 4.616 ( 2.313 0.000 -10.779) 11.024 5.037 ( -7.111 0.000 16.815) 18.257 5.501 ( -3.900 0.000 -1.962) 4.365 5.544 ( -2.693 0.000 3.403) 4.340 5.729 ( 4.904 0.000 -8.182) 9.539 5.798 ( -10.779 0.000 -4.424) 11.652 6.330 ( 11.258 0.000 -1.711) 11.387 6.426 ( 6.999 0.000 8.996) 11.398 6.680 ( 2.928 0.000 -20.335) 20.544 7.350 ( -12.108 0.000 5.600) 13.340 7.552 ( -7.717 0.000 -9.835) 12.501 8.121 ( -2.500 0.000 -2.995) 3.901 8.190 ( -0.710 0.000 -5.333) 5.380 8.507 ( 3.046 0.000 2.227) 3.773 8.570 ( 7.342 0.000 2.174) 7.657 8.792 ( 0.743 0.000 -2.501) 2.609 8.884 ( 3.506 0.000 -4.627) 5.805 9.380 ( -4.668 0.000 10.369) 11.372 9.690 ( -2.907 0.000 9.136) 9.588 9.992 ( 1.090 0.000 -8.931) 8.998 10.413 ( 0.126 0.000 3.202) 3.204 10.437 ( 4.840 0.000 3.684) 6.083 10.561 ( 9.397 0.000 -11.784) 15.072 11.633 ( -4.451 0.000 3.905) 5.921 11.695 ( -6.379 0.000 -0.183) 6.382 12.962 ( -4.494 0.000 8.515) 9.628 13.300 ( 0.282 0.000 -8.062) 8.067 13.634 ( -2.995 0.000 9.253) 9.725 13.769 ( -5.186 0.000 -4.412) 6.809 14.023 ( 2.985 0.000 -0.144) 2.988 14.276 ( 15.003 0.000 -2.422) 15.197 15.075 ( -18.296 0.000 10.050) 20.875 15.702 ( 9.841 0.000 5.082) 11.076 16.298 ( 0.659 0.000 1.448) 1.590 16.343 ( 0.777 0.000 -2.158) 2.294 18.323 ( -9.847 0.000 8.865) 13.250 18.761 ( -2.788 0.000 -14.969) 15.227 18.838 ( -2.269 0.000 7.470) 7.807 19.278 ( 7.989 0.000 -8.667) 11.787 ======================= Grid point 326 (163/230) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 3.028 0.000 4.201) 5.179 2.857 ( 10.574 0.000 -6.585) 12.456 3.106 ( 7.116 0.000 -3.860) 8.095 3.299 ( 3.780 0.000 13.922) 14.426 3.435 ( -6.357 0.000 13.352) 14.789 3.582 ( 3.256 0.000 -11.628) 12.075 3.791 ( -9.605 0.000 7.362) 12.102 4.178 ( -4.144 0.000 -16.563) 17.074 4.376 ( -1.271 0.000 5.209) 5.362 4.555 ( -0.948 0.000 -10.372) 10.415 4.985 ( -7.207 0.000 11.487) 13.561 5.431 ( -2.874 0.000 0.551) 2.927 5.448 ( -10.346 0.000 5.465) 11.701 5.617 ( -4.407 0.000 -4.288) 6.149 5.733 ( 2.957 0.000 -12.986) 13.319 6.511 ( 10.045 0.000 -7.579) 12.583 6.627 ( 4.345 0.000 -13.327) 14.017 6.642 ( 6.764 0.000 11.043) 12.950 7.131 ( -13.776 0.000 6.988) 15.447 7.296 ( -8.588 0.000 -15.460) 17.686 8.085 ( -1.553 0.000 3.724) 4.034 8.147 ( -1.463 0.000 0.313) 1.496 8.573 ( 1.915 0.000 1.934) 2.722 8.682 ( 0.055 0.000 4.095) 4.096 8.824 ( 7.325 0.000 -10.172) 12.535 8.846 ( -1.517 0.000 -11.365) 11.466 9.339 ( -5.204 0.000 7.487) 9.118 9.588 ( -9.145 0.000 2.714) 9.539 10.117 ( 13.563 0.000 -2.772) 13.843 10.500 ( 4.450 0.000 6.562) 7.929 10.509 ( 2.721 0.000 4.113) 4.932 10.744 ( 12.521 0.000 -5.895) 13.839 11.547 ( -6.594 0.000 3.306) 7.376 11.565 ( -7.804 0.000 2.975) 8.351 12.936 ( -4.029 0.000 7.547) 8.555 13.240 ( -0.254 0.000 -8.247) 8.251 13.589 ( -7.378 0.000 7.679) 10.649 13.629 ( -5.579 0.000 -5.621) 7.920 14.122 ( 6.325 0.000 2.599) 6.838 14.575 ( 10.625 0.000 8.567) 13.649 14.899 ( -3.341 0.000 4.406) 5.529 15.937 ( 8.242 0.000 10.139) 13.066 16.325 ( 1.123 0.000 1.756) 2.084 16.346 ( 1.283 0.000 -1.966) 2.348 18.088 ( -16.718 0.000 1.587) 16.793 18.581 ( -4.318 0.000 -16.573) 17.126 18.888 ( 0.542 0.000 8.899) 8.915 19.325 ( 3.574 0.000 -9.265) 9.931 ======================= Grid point 327 (164/230) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( 5.844 0.000 1.525) 6.040 2.921 ( 1.678 0.000 -7.003) 7.202 3.225 ( 8.755 0.000 -7.088) 11.264 3.379 ( -9.855 0.000 15.623) 18.471 3.409 ( -3.710 0.000 2.570) 4.513 3.542 ( -2.835 0.000 6.060) 6.690 3.725 ( 3.423 0.000 -9.210) 9.826 3.967 ( -5.105 0.000 -16.933) 17.686 4.334 ( -5.997 0.000 6.736) 9.018 4.456 ( -2.319 0.000 -8.003) 8.332 4.971 ( -0.783 0.000 10.094) 10.124 5.306 ( -6.350 0.000 4.643) 7.866 5.382 ( -3.336 0.000 1.649) 3.721 5.518 ( -5.011 0.000 -1.018) 5.113 5.692 ( 3.812 0.000 -15.649) 16.107 6.591 ( 5.168 0.000 -20.979) 21.606 6.638 ( 2.780 0.000 -2.053) 3.456 6.713 ( -9.909 0.000 9.979) 14.063 7.024 ( 0.018 0.000 8.742) 8.742 7.096 ( 0.049 0.000 -11.725) 11.725 8.099 ( -0.187 0.000 4.229) 4.233 8.149 ( -0.208 0.000 4.029) 4.034 8.575 ( -2.622 0.000 -5.265) 5.882 8.671 ( -1.549 0.000 -0.233) 1.567 8.729 ( -1.709 0.000 -5.570) 5.827 8.819 ( -1.266 0.000 -11.401) 11.471 9.348 ( 1.758 0.000 6.115) 6.362 9.457 ( -4.048 0.000 -0.988) 4.167 10.384 ( 13.029 0.000 2.367) 13.242 10.606 ( 3.541 0.000 5.551) 6.584 10.642 ( 5.983 0.000 4.676) 7.594 10.905 ( 6.951 0.000 -4.585) 8.327 11.448 ( -7.235 0.000 5.459) 9.064 11.449 ( -4.976 0.000 2.570) 5.601 12.901 ( -4.992 0.000 6.962) 8.567 13.183 ( -0.439 0.000 -7.258) 7.272 13.483 ( -7.272 0.000 4.995) 8.822 13.502 ( -3.374 0.000 -4.820) 5.883 14.289 ( 8.331 0.000 4.466) 9.453 14.634 ( -10.968 0.000 19.540) 22.408 15.119 ( 21.565 0.000 -4.000) 21.933 16.080 ( -1.373 0.000 6.662) 6.802 16.370 ( 2.244 0.000 2.683) 3.498 16.402 ( 4.692 0.000 4.146) 6.262 17.767 ( -14.681 0.000 -3.117) 15.008 18.377 ( -4.707 0.000 -18.615) 19.200 18.953 ( -0.131 0.000 8.310) 8.311 19.306 ( 1.156 0.000 -8.419) 8.498 ======================= Grid point 328 (165/230) ======================= q-point: (-0.56 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( 6.995 0.000 0.433) 7.009 2.850 ( -4.197 0.000 -7.399) 8.506 3.225 ( -14.537 0.000 7.371) 16.299 3.238 ( -12.154 0.000 13.027) 17.816 3.367 ( 7.158 0.000 -3.578) 8.002 3.464 ( -9.766 0.000 -0.330) 9.772 3.780 ( -2.688 0.000 -15.146) 15.383 3.785 ( 9.515 0.000 -10.945) 14.503 4.300 ( -2.348 0.000 6.732) 7.130 4.377 ( -1.281 0.000 -4.415) 4.597 5.091 ( 1.961 0.000 15.406) 15.530 5.285 ( 0.570 0.000 4.299) 4.337 5.340 ( -1.633 0.000 1.756) 2.398 5.425 ( -2.512 0.000 1.652) 3.006 5.680 ( 5.559 0.000 -14.857) 15.863 6.359 ( -10.306 0.000 -18.910) 21.536 6.525 ( -13.375 0.000 9.186) 16.225 6.769 ( 13.303 0.000 -12.221) 18.064 7.130 ( 2.382 0.000 7.220) 7.602 7.131 ( 5.494 0.000 -1.264) 5.638 8.120 ( 0.402 0.000 0.243) 0.470 8.158 ( -1.582 0.000 -0.398) 1.632 8.428 ( -5.492 0.000 -4.503) 7.102 8.611 ( -2.516 0.000 -9.122) 9.463 8.705 ( -4.469 0.000 2.275) 5.014 8.727 ( 1.066 0.000 1.370) 1.736 9.436 ( 3.224 0.000 -3.187) 4.533 9.447 ( 5.990 0.000 -1.526) 6.181 10.605 ( 6.655 0.000 5.085) 8.376 10.706 ( 2.863 0.000 5.009) 5.769 10.780 ( 5.922 0.000 1.295) 6.062 10.911 ( -3.823 0.000 -3.548) 5.216 11.373 ( -4.280 0.000 6.278) 7.599 11.418 ( 0.395 0.000 1.294) 1.353 12.844 ( -5.596 0.000 7.243) 9.153 13.119 ( -2.354 0.000 -3.105) 3.896 13.403 ( -2.842 0.000 0.263) 2.854 13.450 ( 0.861 0.000 -2.930) 3.054 14.488 ( 8.732 0.000 5.167) 10.146 14.530 ( -11.484 0.000 14.908) 18.818 15.527 ( 20.791 0.000 0.913) 20.811 15.978 ( -10.541 0.000 -0.085) 10.541 16.462 ( 5.647 0.000 4.199) 7.037 16.521 ( 1.607 0.000 6.663) 6.854 17.551 ( -4.807 0.000 -1.304) 4.981 18.139 ( -6.418 0.000 -20.865) 21.829 18.993 ( -1.131 0.000 7.265) 7.352 19.271 ( 0.879 0.000 -6.927) 6.983 ======================= Grid point 329 (166/230) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( -15.954 0.000 -2.648) 16.172 2.748 ( 6.695 0.000 -0.385) 6.706 3.039 ( -7.904 0.000 4.639) 9.164 3.057 ( -16.938 0.000 17.619) 24.441 3.293 ( -8.542 0.000 8.621) 12.136 3.497 ( 7.351 0.000 -1.239) 7.455 3.676 ( 2.159 0.000 -11.596) 11.795 3.873 ( 6.321 0.000 -10.247) 12.040 4.301 ( -2.122 0.000 4.840) 5.285 4.354 ( 1.309 0.000 -2.318) 2.662 5.091 ( -11.358 0.000 15.077) 18.877 5.349 ( 1.700 0.000 -0.028) 1.700 5.359 ( 4.370 0.000 2.017) 4.813 5.606 ( 15.801 0.000 8.808) 18.090 5.696 ( 5.872 0.000 -13.194) 14.441 6.027 ( -8.840 0.000 -21.162) 22.934 6.368 ( -8.841 0.000 8.313) 12.136 6.954 ( 14.038 0.000 -11.098) 17.895 7.167 ( -2.308 0.000 1.917) 3.000 7.228 ( 3.979 0.000 1.133) 4.137 8.076 ( -3.720 0.000 -2.140) 4.291 8.115 ( 0.207 0.000 -2.340) 2.349 8.372 ( -0.977 0.000 3.414) 3.551 8.491 ( -3.984 0.000 -3.834) 5.529 8.679 ( -1.380 0.000 3.385) 3.655 8.758 ( 1.182 0.000 0.846) 1.454 9.514 ( 6.798 0.000 -5.086) 8.490 9.549 ( 8.588 0.000 -8.678) 12.209 10.694 ( -0.985 0.000 4.754) 4.855 10.722 ( -12.651 0.000 0.608) 12.666 10.778 ( 1.171 0.000 -0.184) 1.186 10.860 ( 1.368 0.000 0.525) 1.466 11.389 ( 2.627 0.000 3.962) 4.753 11.460 ( 2.803 0.000 0.327) 2.822 12.800 ( -4.183 0.000 8.470) 9.447 13.074 ( -0.874 0.000 0.802) 1.186 13.365 ( -0.840 0.000 -2.303) 2.451 13.495 ( 5.145 0.000 -1.355) 5.321 14.408 ( -10.009 0.000 10.315) 14.373 14.677 ( 6.421 0.000 5.991) 8.782 15.703 ( -15.407 0.000 -5.390) 16.323 15.883 ( 14.072 0.000 2.570) 14.304 16.529 ( -2.596 0.000 0.878) 2.740 16.674 ( 13.827 0.000 4.596) 14.571 17.575 ( 4.217 0.000 6.669) 7.891 17.842 ( -9.757 0.000 -20.306) 22.529 19.012 ( -1.765 0.000 6.646) 6.876 19.251 ( 1.558 0.000 -5.882) 6.085 ======================= Grid point 330 (167/230) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( -19.373 0.000 8.698) 21.236 2.810 ( -9.555 0.000 5.415) 10.983 2.886 ( -4.482 0.000 14.056) 14.753 2.972 ( -2.134 0.000 2.259) 3.108 3.281 ( -1.918 0.000 16.651) 16.761 3.570 ( 0.112 0.000 1.648) 1.652 3.759 ( 11.477 0.000 -4.658) 12.386 3.881 ( 0.068 0.000 -4.445) 4.446 4.284 ( -2.988 0.000 4.768) 5.627 4.396 ( 4.701 0.000 -2.443) 5.298 4.979 ( -9.489 0.000 14.447) 17.284 5.387 ( 3.146 0.000 -4.081) 5.153 5.460 ( 5.107 0.000 -0.656) 5.149 5.705 ( 3.315 0.000 -13.623) 14.020 5.795 ( 0.079 0.000 -16.219) 16.219 5.952 ( 8.911 0.000 6.584) 11.080 6.358 ( 5.905 0.000 9.075) 10.827 7.059 ( -8.172 0.000 -3.099) 8.740 7.150 ( 13.402 0.000 -10.162) 16.819 7.270 ( 0.519 0.000 -1.986) 2.053 8.062 ( 1.430 0.000 5.519) 5.701 8.127 ( 1.498 0.000 4.073) 4.340 8.394 ( 0.467 0.000 3.288) 3.321 8.417 ( -1.478 0.000 -3.153) 3.482 8.676 ( -1.127 0.000 2.020) 2.313 8.779 ( 0.509 0.000 -0.114) 0.521 9.586 ( 3.959 0.000 -6.507) 7.617 9.667 ( 11.253 0.000 -12.259) 16.641 10.413 ( -18.768 0.000 0.289) 18.770 10.636 ( -7.668 0.000 4.454) 8.867 10.787 ( -0.044 0.000 -2.051) 2.052 10.849 ( -1.984 0.000 -1.169) 2.302 11.514 ( 8.255 0.000 0.047) 8.255 11.518 ( 2.863 0.000 0.656) 2.937 12.807 ( -1.533 0.000 9.598) 9.719 13.103 ( 2.776 0.000 1.126) 2.996 13.337 ( -0.879 0.000 0.086) 0.884 13.616 ( 7.776 0.000 -0.498) 7.792 14.292 ( -7.752 0.000 5.695) 9.619 14.767 ( -4.504 0.000 8.218) 9.371 15.385 ( -8.716 0.000 -11.638) 14.540 16.086 ( 6.148 0.000 1.935) 6.445 16.469 ( -2.768 0.000 -2.081) 3.463 16.948 ( 8.010 0.000 -13.030) 15.295 17.599 ( 0.800 0.000 -1.222) 1.461 17.749 ( 6.461 0.000 11.759) 13.417 19.018 ( -2.352 0.000 6.710) 7.110 19.245 ( 1.729 0.000 -6.069) 6.310 ======================= Grid point 331 (168/230) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( -12.483 0.000 17.625) 21.598 2.599 ( -16.638 0.000 16.039) 23.110 2.946 ( 0.662 0.000 6.102) 6.138 2.978 ( 0.971 0.000 2.038) 2.258 3.418 ( 2.221 0.000 19.908) 20.032 3.556 ( -2.443 0.000 1.050) 2.659 3.849 ( -2.230 0.000 4.357) 4.895 3.978 ( 12.496 0.000 -1.141) 12.548 4.253 ( -3.772 0.000 5.057) 6.309 4.487 ( 6.594 0.000 -4.333) 7.890 4.937 ( -5.316 0.000 14.485) 15.429 5.411 ( 4.082 0.000 -7.190) 8.268 5.528 ( 2.851 0.000 -2.625) 3.875 5.702 ( 7.394 0.000 -10.576) 12.905 5.775 ( 4.314 0.000 -9.934) 10.830 6.002 ( -2.056 0.000 2.883) 3.541 6.712 ( 16.975 0.000 3.954) 17.429 6.851 ( -7.876 0.000 0.780) 7.915 7.146 ( -4.906 0.000 -9.858) 11.011 7.388 ( 13.134 0.000 -6.346) 14.587 8.170 ( 4.202 0.000 5.615) 7.013 8.238 ( 3.123 0.000 12.122) 12.518 8.384 ( 2.247 0.000 -7.947) 8.258 8.434 ( 1.121 0.000 4.616) 4.751 8.657 ( -1.876 0.000 1.113) 2.181 8.769 ( -1.127 0.000 -1.165) 1.621 9.571 ( -1.003 0.000 -4.236) 4.353 9.817 ( 12.793 0.000 -11.362) 17.110 10.032 ( -21.013 0.000 1.616) 21.075 10.491 ( -9.583 0.000 2.835) 9.993 10.751 ( -1.046 0.000 -5.272) 5.375 10.770 ( -4.519 0.000 -3.891) 5.963 11.576 ( 2.307 0.000 1.660) 2.842 11.678 ( 9.114 0.000 -2.862) 9.553 12.866 ( 0.549 0.000 9.948) 9.964 13.166 ( 3.887 0.000 -2.736) 4.753 13.363 ( 2.044 0.000 6.014) 6.352 13.768 ( 7.984 0.000 -0.560) 8.004 14.186 ( -5.800 0.000 1.340) 5.952 14.557 ( -19.650 0.000 4.733) 20.212 15.297 ( 5.780 0.000 -10.490) 11.977 16.165 ( 1.154 0.000 0.446) 1.237 16.406 ( -2.011 0.000 -2.337) 3.083 16.639 ( -19.212 0.000 -21.512) 28.842 17.960 ( 6.170 0.000 13.804) 15.120 17.979 ( 26.835 0.000 8.704) 28.211 19.009 ( -3.587 0.000 7.097) 7.952 19.225 ( 0.795 0.000 -7.298) 7.341 ======================= Grid point 332 (169/230) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( -0.073 0.000 19.368) 19.368 2.421 ( -13.041 0.000 16.087) 20.708 2.982 ( -1.627 0.000 7.371) 7.548 3.020 ( 2.399 0.000 -0.088) 2.401 3.503 ( -2.598 0.000 -0.954) 2.767 3.585 ( 0.606 0.000 17.426) 17.437 3.885 ( 1.308 0.000 8.610) 8.709 4.194 ( 10.470 0.000 -2.048) 10.668 4.211 ( -4.564 0.000 7.571) 8.841 4.566 ( 6.008 0.000 -8.255) 10.210 4.963 ( -3.252 0.000 16.669) 16.983 5.472 ( 6.586 0.000 -5.264) 8.431 5.540 ( 0.683 0.000 -1.985) 2.099 5.741 ( 1.578 0.000 -8.234) 8.384 5.884 ( 12.669 0.000 -4.792) 13.545 6.001 ( 0.399 0.000 2.078) 2.116 6.547 ( -12.937 0.000 -3.988) 13.538 6.953 ( -5.940 0.000 -12.742) 14.059 7.187 ( 17.527 0.000 7.497) 19.063 7.581 ( 10.480 0.000 -5.795) 11.976 8.246 ( 2.027 0.000 -1.974) 2.829 8.285 ( -1.591 0.000 -2.682) 3.118 8.444 ( 4.351 0.000 -1.665) 4.658 8.477 ( -1.700 0.000 5.249) 5.518 8.656 ( 1.482 0.000 5.430) 5.628 8.744 ( 0.669 0.000 -0.423) 0.792 9.543 ( -0.152 0.000 2.839) 2.843 9.659 ( -18.740 0.000 5.000) 19.395 10.010 ( 13.837 0.000 -7.937) 15.952 10.317 ( -9.302 0.000 -0.638) 9.324 10.629 ( -6.667 0.000 -5.230) 8.474 10.678 ( -1.689 0.000 -8.348) 8.518 11.627 ( 1.331 0.000 2.902) 3.193 11.792 ( 4.612 0.000 -3.964) 6.082 12.945 ( 0.023 0.000 9.884) 9.884 13.231 ( 5.990 0.000 -4.856) 7.711 13.475 ( 3.520 0.000 8.139) 8.868 13.894 ( 5.683 0.000 -2.372) 6.158 14.097 ( -2.768 0.000 -1.830) 3.318 14.202 ( -17.451 0.000 1.638) 17.528 15.380 ( 7.949 0.000 -6.447) 10.235 15.968 ( -23.287 0.000 -9.166) 25.026 16.284 ( -3.157 0.000 -0.200) 3.163 16.364 ( -0.913 0.000 -1.877) 2.087 18.164 ( 4.842 0.000 14.540) 15.326 18.530 ( 25.277 0.000 -1.113) 25.301 18.970 ( -5.717 0.000 7.057) 9.082 19.176 ( -0.027 0.000 -8.450) 8.450 ======================= Grid point 333 (170/230) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 5.881 -2.059 15.872) 17.051 2.491 ( -1.503 10.313 7.163) 12.646 2.961 ( -0.691 -0.940 7.703) 7.790 3.125 ( 0.532 3.468 2.760) 4.464 3.344 ( -0.693 -10.246 5.653) 11.723 3.696 ( -1.911 3.762 -2.337) 4.824 3.973 ( 1.931 0.341 6.244) 6.545 4.230 ( 0.080 1.624 6.810) 7.002 4.340 ( 2.339 2.127 -0.901) 3.287 4.617 ( 3.009 0.340 -6.216) 6.915 5.127 ( -3.473 10.544 17.098) 20.386 5.478 ( 5.998 -4.673 1.309) 7.715 5.564 ( -4.112 -0.310 -3.223) 5.234 5.778 ( 3.292 6.673 -6.973) 10.198 5.933 ( -0.193 -2.837 -0.878) 2.976 6.167 ( 4.296 2.580 -6.098) 7.893 6.343 ( -0.131 0.889 4.948) 5.029 6.801 ( -1.149 1.654 -15.081) 15.215 7.432 ( 2.652 -0.248 4.859) 5.541 7.658 ( 1.443 -1.245 -5.830) 6.134 8.135 ( -0.334 -6.189 -5.334) 8.177 8.213 ( -2.782 -4.766 -8.341) 10.002 8.393 ( 1.885 -2.955 4.024) 5.336 8.505 ( -0.173 1.310 -2.229) 2.591 8.770 ( 3.209 0.850 2.615) 4.226 8.811 ( 4.365 0.409 -0.392) 4.401 9.397 ( -9.096 -2.898 10.926) 14.509 9.624 ( 1.567 1.327 6.914) 7.212 10.082 ( -4.977 -3.941 -4.832) 7.978 10.220 ( 9.102 -1.903 -4.533) 10.345 10.484 ( -3.352 1.839 -1.939) 4.287 10.638 ( -1.059 3.748 -9.375) 10.152 11.702 ( -1.154 4.760 3.878) 6.247 11.833 ( -1.763 4.212 -2.616) 5.262 12.911 ( -3.112 -6.476 8.478) 11.113 13.172 ( 3.597 -12.253 -4.705) 13.610 13.656 ( 1.072 6.921 9.365) 11.694 13.907 ( -3.711 -0.595 -2.384) 4.451 14.033 ( 2.306 2.165 0.032) 3.163 14.147 ( 2.403 5.952 -4.437) 7.803 15.390 ( -15.087 -3.785 6.315) 16.787 15.595 ( -0.386 6.359 -6.016) 8.762 16.288 ( 0.226 0.835 1.488) 1.722 16.358 ( 0.017 1.219 -1.976) 2.322 18.302 ( 0.285 -2.045 13.149) 13.310 18.669 ( 5.972 -10.302 -1.081) 11.957 19.014 ( -4.562 6.528 -3.193) 8.580 19.173 ( 6.605 0.865 -7.206) 9.814 ======================= Grid point 334 (171/230) ======================= q-point: ( 0.11 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( 0.266 3.095 8.039) 8.618 2.637 ( 12.996 2.347 -1.344) 13.274 3.027 ( 3.051 1.367 5.930) 6.808 3.158 ( -1.096 -0.983 8.283) 8.412 3.355 ( -2.708 -6.908 8.504) 11.286 3.659 ( 3.178 3.702 -11.426) 12.424 3.972 ( -6.437 3.040 7.913) 10.644 4.292 ( 1.891 0.061 0.933) 2.110 4.344 ( 0.436 2.174 -4.246) 4.790 4.612 ( 0.420 -0.898 -5.316) 5.408 5.139 ( -6.626 9.924 14.233) 18.573 5.401 ( -9.678 -6.355 -2.138) 11.774 5.566 ( 1.220 0.139 1.549) 1.977 5.780 ( -0.776 5.870 -3.638) 6.949 5.868 ( -0.744 4.730 -6.243) 7.868 6.261 ( 8.608 -4.025 -0.969) 9.552 6.484 ( 7.329 3.409 6.945) 10.657 6.702 ( 2.642 2.162 -19.225) 19.526 7.361 ( -11.087 1.181 4.679) 12.092 7.541 ( -7.488 -1.166 -9.631) 12.255 8.090 ( -1.942 -3.584 -2.353) 4.706 8.135 ( -0.858 -5.559 -3.845) 6.814 8.464 ( 2.443 -3.707 2.766) 5.230 8.568 ( 7.118 -0.804 0.317) 7.170 8.778 ( -0.346 -1.149 -2.880) 3.120 8.883 ( 3.565 -0.499 -3.991) 5.374 9.365 ( -4.230 -1.334 10.392) 11.299 9.661 ( -5.222 -2.194 7.975) 9.781 9.973 ( 2.590 -1.837 -9.336) 9.862 10.365 ( 5.427 -2.409 1.332) 6.085 10.480 ( 1.066 2.626 3.760) 4.709 10.620 ( 8.009 4.213 -9.668) 13.242 11.670 ( -5.013 4.157 3.834) 7.558 11.744 ( -5.893 4.923 0.119) 7.679 12.885 ( -4.699 -7.146 7.468) 11.354 13.154 ( -1.410 -12.329 -5.126) 13.426 13.705 ( -2.569 6.181 8.579) 10.881 13.851 ( -1.352 5.377 -2.452) 6.062 14.078 ( 1.779 6.063 -2.561) 6.818 14.271 ( 14.375 -0.475 -2.874) 14.668 15.092 ( -17.060 1.799 10.902) 20.326 15.713 ( 8.912 1.223 3.048) 9.498 16.306 ( 0.642 0.803 1.480) 1.802 16.354 ( 0.826 1.144 -2.146) 2.568 18.271 ( -10.525 -4.819 6.657) 13.353 18.743 ( 4.191 -2.329 -5.053) 6.966 18.872 ( -6.853 3.402 -0.808) 7.693 19.267 ( 6.686 -0.983 -7.541) 10.126 ======================= Grid point 335 (172/230) ======================= q-point: ( 0.22 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 2.958 2.634 1.681) 4.302 2.838 ( 8.875 -1.537 -6.893) 11.342 3.130 ( 3.633 0.603 2.012) 4.197 3.205 ( -0.007 -6.255 8.423) 10.491 3.392 ( 0.228 -1.399 13.154) 13.230 3.666 ( 6.709 4.496 -15.121) 17.142 3.865 ( -9.858 5.256 8.363) 13.956 4.206 ( -3.946 3.721 -14.671) 15.641 4.362 ( -1.006 -0.662 4.043) 4.218 4.562 ( -2.222 0.496 -3.981) 4.586 5.072 ( -7.278 7.392 7.664) 12.898 5.221 ( -8.048 -9.045 1.975) 12.267 5.556 ( -2.471 0.192 0.407) 2.512 5.688 ( -6.451 9.405 0.807) 11.433 5.843 ( 3.497 8.877 -13.405) 16.454 6.437 ( 8.408 -6.862 1.458) 10.950 6.617 ( 4.912 1.207 -15.186) 16.006 6.694 ( 5.347 2.408 4.955) 7.677 7.154 ( -12.757 2.422 5.496) 14.100 7.290 ( -8.500 -0.653 -15.034) 17.283 8.043 ( -2.260 -5.008 2.399) 5.995 8.124 ( -0.306 -1.768 2.794) 3.321 8.524 ( 1.965 -5.325 2.125) 6.061 8.661 ( -1.080 -1.927 2.273) 3.169 8.795 ( 6.687 -1.717 -9.179) 11.486 8.877 ( 1.390 1.338 -9.984) 10.169 9.324 ( -5.767 -1.360 7.194) 9.320 9.540 ( -9.155 -3.901 3.375) 10.509 10.084 ( 12.254 -2.809 -4.328) 13.296 10.483 ( 4.627 -1.072 5.525) 7.286 10.540 ( 2.761 2.115 4.883) 5.995 10.778 ( 11.321 2.335 -5.949) 13.001 11.574 ( -6.881 3.895 3.395) 8.605 11.628 ( -7.149 5.517 3.104) 9.549 12.843 ( -4.610 -8.419 6.106) 11.376 13.075 ( -2.719 -13.039 -5.325) 14.345 13.675 ( -6.420 7.580 8.118) 12.829 13.779 ( -2.568 11.384 -6.901) 13.558 14.133 ( 5.130 1.304 1.440) 5.485 14.577 ( 13.497 -0.091 6.245) 14.872 14.925 ( -5.459 3.010 6.450) 8.970 15.920 ( 7.448 -1.639 8.095) 11.122 16.335 ( 1.252 0.987 2.225) 2.737 16.360 ( 1.610 1.465 -1.912) 2.897 18.036 ( -15.096 -4.715 0.062) 15.815 18.623 ( -5.828 3.588 -15.402) 16.854 18.887 ( 1.794 -0.248 8.460) 8.652 19.308 ( 3.093 -1.556 -7.648) 8.395 ======================= Grid point 336 (173/230) ======================= q-point: ( 0.33 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 5.536 0.800 -0.301) 5.602 2.869 ( -0.092 -5.205 -5.440) 7.529 3.172 ( -8.063 -8.178 11.741) 16.424 3.244 ( 6.754 1.013 -6.251) 9.258 3.528 ( 4.308 1.655 4.462) 6.419 3.683 ( 1.070 9.336 -7.102) 11.779 3.735 ( -5.693 2.998 2.491) 6.899 3.997 ( -5.833 3.591 -15.861) 17.277 4.329 ( -4.645 -0.298 4.374) 6.387 4.482 ( -2.926 2.964 -3.945) 5.737 5.025 ( -1.491 2.635 7.556) 8.140 5.141 ( -2.484 -5.657 5.315) 8.151 5.487 ( -4.558 -1.148 0.019) 4.700 5.571 ( -6.446 11.315 1.930) 13.165 5.809 ( 3.554 9.809 -15.681) 18.834 6.544 ( -3.262 -7.404 0.320) 8.097 6.608 ( 9.575 0.108 -16.752) 19.295 6.737 ( -8.213 1.939 6.512) 10.659 7.019 ( -2.764 -0.471 1.016) 2.983 7.107 ( 0.920 0.979 -7.163) 7.288 8.050 ( 0.166 -5.055 5.121) 7.198 8.146 ( -0.177 -0.264 3.749) 3.762 8.562 ( -0.041 -2.875 -0.258) 2.886 8.606 ( -2.103 -4.533 -3.053) 5.856 8.781 ( -1.794 4.294 -5.812) 7.446 8.829 ( -0.354 0.921 -13.074) 13.111 9.305 ( 0.033 -4.314 6.111) 7.481 9.421 ( -3.562 -3.309 0.554) 4.894 10.326 ( 12.812 -4.982 1.333) 13.811 10.604 ( 3.900 -0.910 5.829) 7.072 10.650 ( 5.070 1.108 4.138) 6.638 10.907 ( 4.648 -0.591 -4.244) 6.322 11.483 ( -4.745 5.021 3.928) 7.947 11.522 ( -6.027 5.988 3.907) 9.351 12.785 ( -5.358 -9.908 5.043) 12.341 12.989 ( -2.370 -14.559 -5.314) 15.678 13.587 ( -7.681 9.159 7.196) 13.952 13.688 ( -1.187 13.256 -7.251) 15.156 14.287 ( 8.505 -0.072 4.011) 9.403 14.682 ( -10.363 4.729 19.318) 22.426 15.100 ( 20.853 -1.738 -4.899) 21.491 16.035 ( -1.702 -4.333 4.796) 6.684 16.396 ( 2.661 2.379 3.968) 5.338 16.418 ( 4.866 1.594 3.188) 6.031 17.742 ( -13.113 -2.294 -3.449) 13.752 18.391 ( -6.532 1.202 -17.586) 18.799 18.970 ( 0.919 1.453 7.327) 7.526 19.295 ( 1.107 -0.959 -6.931) 7.085 ======================= Grid point 337 (174/230) ======================= q-point: (-0.56 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 5.463 -1.688 0.040) 5.718 2.803 ( -2.769 -4.440 -5.249) 7.411 3.027 ( -14.280 -7.504 12.721) 20.544 3.323 ( 4.843 0.198 -7.904) 9.272 3.471 ( -10.307 0.851 -0.944) 10.385 3.566 ( -10.502 15.169 9.227) 20.629 3.733 ( 2.177 -1.848 -12.228) 12.557 3.859 ( 5.663 4.434 -12.806) 14.688 4.297 ( -1.792 0.019 5.650) 5.928 4.409 ( -1.988 3.253 -3.245) 5.006 5.135 ( 4.215 1.318 12.126) 12.905 5.196 ( 2.675 -0.645 8.451) 8.888 5.416 ( -1.816 0.172 2.408) 3.021 5.466 ( -5.100 8.086 0.800) 9.593 5.775 ( 4.066 8.596 -15.669) 18.328 6.331 ( -9.691 -3.062 -16.188) 19.114 6.544 ( -13.035 1.802 8.901) 15.887 6.760 ( 12.882 -1.187 -10.886) 16.907 7.034 ( 2.709 -5.187 1.367) 6.010 7.164 ( 3.434 -0.396 0.509) 3.494 8.100 ( 1.828 -2.550 2.361) 3.926 8.147 ( -1.423 -0.879 0.116) 1.677 8.461 ( -5.030 2.983 -4.220) 7.212 8.629 ( 1.730 -5.301 2.865) 6.269 8.652 ( -5.361 2.626 -9.973) 11.623 8.742 ( -2.540 1.243 -0.298) 2.843 9.379 ( 5.547 -5.150 -1.486) 7.714 9.427 ( 3.878 -2.686 -1.963) 5.109 10.550 ( 7.517 -4.834 4.602) 10.052 10.710 ( 2.869 -0.492 5.551) 6.267 10.766 ( 4.874 -1.149 -0.113) 5.009 10.880 ( -4.473 -2.783 -2.166) 5.696 11.426 ( -4.933 5.101 6.653) 9.727 11.489 ( 0.861 6.828 0.629) 6.911 12.716 ( -5.095 -10.632 5.111) 12.850 12.920 ( -1.090 -15.709 -4.443) 16.362 13.493 ( -6.556 9.984 6.156) 13.437 13.654 ( 2.227 12.888 -5.519) 14.195 14.484 ( 5.860 0.495 7.248) 9.334 14.582 ( -8.477 4.529 11.935) 15.324 15.491 ( 20.084 -3.456 0.040) 20.379 15.928 ( -9.739 -4.817 -1.208) 10.932 16.491 ( 3.095 2.369 6.265) 7.378 16.542 ( 4.389 2.313 4.245) 6.529 17.546 ( -4.365 -0.519 -1.119) 4.536 18.131 ( -7.651 -0.905 -19.738) 21.188 19.021 ( -0.236 2.607 6.196) 6.726 19.269 ( 0.993 -0.079 -5.912) 5.995 ======================= Grid point 338 (175/230) ======================= q-point: (-0.44 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( -11.947 -4.023 -2.965) 12.950 2.725 ( 0.358 -2.168 1.851) 2.873 2.875 ( -8.787 -4.911 13.783) 17.068 3.221 ( -11.169 2.955 5.556) 12.820 3.326 ( -6.767 4.034 3.760) 8.729 3.499 ( 1.143 2.170 0.603) 2.525 3.681 ( 3.449 0.378 -11.170) 11.697 3.946 ( 7.100 6.496 -7.001) 11.901 4.311 ( -1.401 1.281 5.059) 5.404 4.372 ( 0.527 1.841 -2.147) 2.877 5.168 ( -10.494 7.942 15.029) 19.977 5.320 ( 4.883 -0.956 4.089) 6.441 5.394 ( 0.494 2.149 -2.087) 3.036 5.616 ( 15.319 1.156 8.210) 17.419 5.756 ( 4.638 5.467 -13.870) 15.613 6.030 ( -7.863 0.505 -18.795) 20.380 6.394 ( -7.780 2.625 7.395) 11.050 6.947 ( 13.069 -1.645 -8.718) 15.795 7.091 ( 0.375 -5.598 2.231) 6.037 7.198 ( 1.297 -3.953 -2.362) 4.784 8.095 ( -2.561 1.316 -1.218) 3.127 8.138 ( 1.555 1.387 -1.364) 2.490 8.377 ( -2.894 0.759 3.828) 4.859 8.497 ( -5.577 0.099 -3.068) 6.366 8.666 ( -0.718 -0.602 1.246) 1.559 8.729 ( 1.843 -2.300 0.448) 2.981 9.488 ( 7.064 -2.667 -5.177) 9.155 9.512 ( 8.815 -3.803 -8.007) 12.501 10.606 ( -8.414 -5.966 3.068) 10.761 10.731 ( -3.153 -2.442 -0.694) 4.048 10.775 ( 0.567 0.115 2.900) 2.958 10.860 ( 1.800 0.051 -0.054) 1.801 11.417 ( 0.367 3.644 5.342) 6.477 11.529 ( 2.784 6.082 -0.009) 6.688 12.678 ( -2.591 -10.139 6.374) 12.253 12.896 ( 1.201 -15.907 -2.606) 16.164 13.430 ( -3.922 9.438 5.300) 11.513 13.690 ( 4.390 12.365 -3.300) 13.530 14.419 ( -10.973 1.222 10.246) 15.063 14.705 ( 6.686 2.875 5.465) 9.101 15.653 ( -12.845 -4.641 -5.134) 14.591 15.851 ( 13.481 -3.424 0.499) 13.918 16.512 ( -3.944 -0.873 3.238) 5.177 16.721 ( 12.514 3.841 1.902) 13.228 17.574 ( 4.279 -0.160 6.909) 8.129 17.830 ( -9.703 -1.243 -18.736) 21.136 19.049 ( -0.818 3.574 5.351) 6.487 19.256 ( 1.614 0.523 -5.411) 5.671 ======================= Grid point 339 (176/230) ======================= q-point: (-0.33 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -18.869 -1.151 6.870) 20.114 2.724 ( -7.837 -5.378 14.807) 17.595 2.865 ( 0.420 -0.981 4.233) 4.365 3.088 ( -7.547 6.638 7.856) 12.756 3.254 ( -4.518 -1.418 9.851) 10.930 3.566 ( 4.544 -2.753 1.030) 5.412 3.725 ( 6.081 0.934 -5.747) 8.419 4.006 ( 2.296 8.910 -0.587) 9.220 4.308 ( -1.691 3.141 3.850) 5.249 4.407 ( 4.035 0.907 -1.118) 4.284 5.065 ( -9.409 9.010 14.671) 19.620 5.328 ( 0.854 -4.587 -6.662) 8.133 5.513 ( 6.853 4.492 1.210) 8.283 5.717 ( 2.618 1.088 -12.933) 13.240 5.814 ( -0.052 2.125 -12.327) 12.509 5.979 ( 8.356 2.806 5.754) 10.526 6.402 ( 7.327 4.316 6.173) 10.508 7.003 ( -7.277 -5.729 -2.762) 9.664 7.144 ( 10.912 -1.134 -9.727) 14.662 7.221 ( 2.935 -4.370 -1.469) 5.465 8.068 ( -0.008 0.400 3.173) 3.198 8.177 ( 2.776 3.950 2.855) 5.609 8.389 ( -0.194 -2.126 4.012) 4.544 8.398 ( -3.330 -0.567 0.833) 3.479 8.639 ( -1.567 -3.090 -1.446) 3.754 8.779 ( 2.000 0.334 0.546) 2.100 9.562 ( 4.923 -2.302 -7.376) 9.162 9.640 ( 11.062 -2.730 -11.346) 16.079 10.336 ( -17.842 -6.417 0.486) 18.967 10.665 ( -7.160 0.993 3.814) 8.173 10.771 ( -1.188 -0.690 -1.964) 2.397 10.862 ( -0.919 0.684 -1.189) 1.651 11.507 ( 5.330 1.913 2.436) 6.165 11.597 ( 4.665 5.558 -0.133) 7.257 12.707 ( 0.490 -8.659 7.752) 11.633 12.929 ( 3.312 -15.621 -1.095) 16.006 13.418 ( -1.129 9.263 5.592) 10.879 13.768 ( 5.137 10.823 -1.143) 12.035 14.284 ( -8.490 -0.750 5.686) 10.245 14.781 ( -6.240 1.231 7.773) 10.044 15.382 ( -5.497 0.064 -11.822) 13.038 16.058 ( 7.090 -3.466 0.821) 7.934 16.434 ( -4.581 -2.780 -0.083) 5.360 16.934 ( 5.816 -0.990 -12.522) 13.842 17.597 ( 0.174 -0.155 -1.826) 1.841 17.766 ( 7.546 1.164 12.216) 14.406 19.065 ( -1.107 4.522 4.809) 6.693 19.251 ( 1.661 0.672 -5.932) 6.196 ======================= Grid point 340 (177/230) ======================= q-point: (-0.22 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( -12.810 -1.568 16.090) 20.626 2.637 ( -12.712 3.524 19.984) 23.945 2.907 ( 1.408 -1.817 0.788) 2.429 3.055 ( -0.742 5.056 6.078) 7.941 3.269 ( -2.621 -9.062 12.226) 15.442 3.681 ( 5.306 0.724 4.972) 7.307 3.778 ( 0.850 1.334 -0.975) 1.858 4.066 ( 3.780 5.582 3.512) 7.601 4.301 ( -1.939 5.532 4.239) 7.234 4.499 ( 6.053 0.993 -2.032) 6.462 5.025 ( -5.244 9.157 14.984) 18.327 5.315 ( 3.342 -7.550 -7.646) 11.253 5.576 ( 3.732 3.972 -7.537) 9.301 5.759 ( 6.512 4.535 -6.012) 9.955 5.775 ( 2.379 1.241 -4.858) 5.550 6.046 ( 0.021 3.752 0.922) 3.863 6.725 ( 9.396 -0.031 -3.129) 9.904 6.818 ( -0.671 -2.108 5.282) 5.726 7.120 ( -3.883 -2.797 -8.263) 9.549 7.383 ( 13.029 -0.544 -6.038) 14.371 8.135 ( 3.167 -3.068 3.451) 5.599 8.286 ( 3.170 2.997 9.591) 10.537 8.339 ( -0.074 -3.680 -3.677) 5.203 8.452 ( 1.847 1.006 6.053) 6.408 8.591 ( -1.850 -4.910 -1.846) 5.562 8.796 ( -0.037 1.954 -1.519) 2.475 9.563 ( -0.143 -0.619 -4.455) 4.500 9.790 ( 12.850 -2.837 -11.536) 17.500 9.976 ( -19.533 -4.807 1.129) 20.148 10.513 ( -10.780 1.149 3.529) 11.400 10.707 ( -2.923 -1.497 -4.943) 5.934 10.815 ( -2.088 1.829 -3.954) 4.831 11.609 ( 3.319 3.530 2.244) 5.340 11.717 ( 8.046 3.960 -2.243) 9.244 12.789 ( 1.958 -7.017 8.449) 11.156 12.998 ( 4.727 -14.496 -1.292) 15.302 13.465 ( 1.441 9.320 7.346) 11.954 13.860 ( 4.453 6.926 -0.173) 8.236 14.180 ( -4.782 -0.630 1.721) 5.121 14.543 ( -19.591 -1.420 3.533) 19.957 15.336 ( 6.044 3.991 -9.810) 12.194 16.135 ( 0.449 -4.022 -1.238) 4.232 16.346 ( -4.416 -3.981 -0.623) 5.978 16.673 ( -14.296 2.655 -19.074) 23.985 17.851 ( 15.068 -5.836 9.120) 18.555 18.046 ( 13.730 1.853 13.655) 19.453 19.070 ( -1.506 5.625 3.948) 7.035 19.231 ( 0.655 0.578 -7.175) 7.228 ======================= Grid point 341 (178/230) ======================= q-point: (-0.11 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( -1.104 -2.218 18.982) 19.143 2.535 ( -10.147 9.731 16.070) 21.351 2.932 ( -0.155 -1.744 4.020) 4.385 3.097 ( 0.559 4.367 3.609) 5.693 3.306 ( -0.565 -12.421 7.953) 14.760 3.749 ( -3.571 6.591 3.241) 8.167 3.838 ( 6.061 -1.562 6.930) 9.338 4.175 ( 4.365 -0.283 1.104) 4.511 4.299 ( -1.439 6.796 6.644) 9.612 4.582 ( 4.733 1.359 -4.892) 6.941 5.062 ( -2.344 9.956 16.233) 19.187 5.364 ( 5.841 -8.094 -3.704) 10.646 5.603 ( 2.417 3.753 -4.825) 6.573 5.762 ( 2.579 1.762 -5.900) 6.676 5.877 ( 5.744 2.658 -2.224) 6.708 6.084 ( 4.437 5.644 -0.092) 7.180 6.502 ( -12.255 -4.722 -4.737) 13.961 6.954 ( -4.978 0.031 -11.472) 12.506 7.190 ( 16.674 0.409 6.587) 17.933 7.574 ( 10.251 -0.690 -5.536) 11.671 8.172 ( 0.395 -6.194 -3.464) 7.108 8.309 ( -0.122 0.188 -4.794) 4.799 8.369 ( -2.368 -6.571 4.842) 8.499 8.522 ( 1.119 3.055 1.033) 3.414 8.621 ( 5.574 -1.228 6.405) 8.579 8.773 ( 0.174 1.902 -1.912) 2.702 9.532 ( -3.749 -1.249 4.542) 6.021 9.642 ( -13.447 -1.473 2.090) 13.688 9.978 ( 13.260 -2.598 -8.186) 15.799 10.317 ( -10.495 -0.718 -0.001) 10.519 10.597 ( -4.591 -0.671 -5.546) 7.231 10.733 ( -2.497 2.930 -6.880) 7.884 11.673 ( 1.476 4.732 3.124) 5.859 11.828 ( 4.649 3.643 -3.540) 6.886 12.876 ( 0.549 -6.247 8.669) 10.700 13.092 ( 6.373 -12.727 -2.918) 14.530 13.560 ( 2.231 8.074 8.874) 12.202 13.921 ( 2.583 1.291 -1.603) 3.303 14.128 ( -3.018 2.509 1.199) 4.104 14.200 ( -13.425 0.484 -1.583) 13.527 15.404 ( 5.440 2.186 -4.969) 7.685 15.933 ( -18.533 -2.855 -8.545) 20.607 16.283 ( -1.203 0.254 1.182) 1.705 16.403 ( -3.844 3.222 -4.604) 6.808 18.132 ( 7.228 -3.141 12.683) 14.932 18.439 ( 16.941 -7.345 5.096) 19.156 19.062 ( -1.279 7.421 1.733) 7.727 19.179 ( -0.188 0.376 -8.326) 8.336 ======================= Grid point 342 (179/230) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 7.857 4.021 14.605) 17.064 2.671 ( -2.084 8.161 -2.195) 8.704 2.983 ( -1.511 3.031 13.846) 14.255 3.114 ( -0.753 -10.540 6.428) 12.369 3.182 ( 0.425 -0.414 5.404) 5.437 3.728 ( 3.496 -1.755 -6.615) 7.685 4.024 ( -1.024 7.380 3.070) 8.058 4.263 ( 4.327 1.697 1.666) 4.938 4.399 ( -2.368 2.867 5.978) 7.040 4.613 ( -1.280 -0.773 -3.078) 3.422 5.351 ( 3.022 -2.132 8.499) 9.269 5.385 ( 4.022 8.451 8.906) 12.920 5.561 ( -8.121 0.436 -4.139) 9.125 5.897 ( -1.661 4.833 4.152) 6.584 5.962 ( 2.342 6.233 -10.161) 12.148 6.196 ( 3.648 1.455 -7.025) 8.048 6.365 ( 4.679 0.870 6.968) 8.438 6.836 ( -0.464 1.855 -13.375) 13.511 7.430 ( 4.446 0.194 3.297) 5.538 7.630 ( 0.500 -1.527 -5.963) 6.176 7.977 ( -0.181 -10.820 -2.601) 11.130 8.048 ( -4.857 -10.880 -2.650) 12.206 8.361 ( 4.800 -1.136 -0.063) 4.933 8.519 ( -3.476 0.240 -4.996) 6.091 8.796 ( 1.424 1.823 0.700) 2.417 8.821 ( 3.704 0.567 -2.248) 4.369 9.337 ( -6.599 -2.905 11.948) 13.955 9.658 ( 0.722 2.143 4.630) 5.153 10.013 ( -5.120 -3.057 -4.892) 7.713 10.184 ( 9.130 -1.400 -5.220) 10.609 10.521 ( -2.492 1.513 -0.861) 3.040 10.679 ( -0.695 0.165 -7.945) 7.977 11.832 ( -1.480 8.630 3.846) 9.563 11.942 ( -1.255 6.902 -1.812) 7.246 12.762 ( -2.974 -9.160 7.423) 12.159 12.922 ( 2.454 -12.496 -0.756) 12.757 13.787 ( 1.641 5.338 5.901) 8.125 13.882 ( -2.692 -1.422 -1.313) 3.315 14.074 ( 3.701 2.890 2.578) 5.357 14.279 ( 1.959 6.646 -3.562) 7.791 15.328 ( -12.829 -2.648 10.822) 16.991 15.730 ( -0.485 7.513 -11.923) 14.101 16.307 ( 0.176 1.078 1.592) 1.930 16.386 ( -0.253 1.574 -2.389) 2.872 18.252 ( -1.049 -2.863 11.467) 11.866 18.479 ( 8.275 -9.384 2.257) 12.713 19.114 ( -5.008 4.009 -4.807) 8.017 19.193 ( 4.893 1.105 -6.994) 8.606 ======================= Grid point 343 (180/230) ======================= q-point: ( 0.11 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 3.004 5.269 5.493) 8.183 2.691 ( 9.279 3.112 -7.393) 12.265 3.074 ( 0.655 2.252 11.558) 11.793 3.081 ( -4.305 -5.768 6.535) 9.721 3.266 ( 1.506 -2.392 10.202) 10.586 3.733 ( 5.271 2.957 -14.931) 16.108 3.983 ( -5.223 -0.194 3.145) 6.100 4.342 ( 1.014 4.259 5.265) 6.848 4.419 ( 1.361 6.164 -3.837) 7.387 4.551 ( -2.731 -6.052 1.733) 6.862 5.313 ( -11.343 -0.750 -8.257) 14.050 5.371 ( -6.338 10.675 14.102) 18.788 5.557 ( 3.861 -0.820 3.752) 5.446 5.889 ( -0.940 2.648 5.373) 6.064 5.960 ( 4.164 7.443 -10.335) 13.400 6.241 ( 4.707 2.287 -5.934) 7.912 6.524 ( 6.219 0.801 7.496) 9.773 6.753 ( 2.246 2.975 -16.866) 17.273 7.398 ( -8.222 2.820 2.460) 9.033 7.511 ( -6.884 -1.883 -9.021) 11.503 7.949 ( -2.330 -10.972 -1.938) 11.383 8.018 ( 2.240 -6.697 1.471) 7.213 8.386 ( -1.640 -4.372 -1.022) 4.780 8.537 ( 7.326 -2.160 -0.274) 7.643 8.760 ( -2.626 -0.720 -2.947) 4.012 8.849 ( 1.394 -3.115 -1.890) 3.901 9.353 ( -2.380 0.658 9.172) 9.499 9.639 ( -7.561 0.268 6.327) 9.862 9.932 ( 4.652 -2.310 -10.527) 11.738 10.342 ( 7.244 -0.001 0.452) 7.258 10.515 ( 0.089 0.794 3.938) 4.018 10.668 ( 6.680 0.253 -8.448) 10.773 11.790 ( -5.370 8.094 3.383) 10.286 11.866 ( -5.682 7.472 0.906) 9.430 12.727 ( -5.023 -8.963 6.371) 12.089 12.913 ( -2.216 -12.104 -1.823) 12.439 13.809 ( 0.109 3.749 3.613) 5.208 13.934 ( 2.017 3.986 3.397) 5.612 14.210 ( 6.385 4.682 -2.549) 8.318 14.277 ( 6.106 3.012 -5.305) 8.632 15.143 ( -13.506 3.411 13.611) 19.476 15.748 ( 6.282 2.395 -2.375) 7.130 16.323 ( 0.527 0.907 1.592) 1.907 16.382 ( 0.986 1.615 -2.152) 2.866 18.169 ( -11.001 -5.421 3.915) 12.874 18.674 ( 9.723 -4.532 0.758) 10.753 18.946 ( -8.609 3.849 -5.353) 10.843 19.250 ( 4.480 -0.664 -4.887) 6.663 ======================= Grid point 344 (181/230) ======================= q-point: ( 0.22 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 2.714 3.976 -3.366) 5.874 2.803 ( 2.892 -2.569 -6.022) 7.157 3.060 ( -1.074 -3.229 10.633) 11.164 3.188 ( 3.703 0.428 1.862) 4.167 3.385 ( 4.662 0.528 10.818) 11.791 3.727 ( 4.920 1.836 -17.253) 18.034 3.900 ( -4.593 -1.095 3.068) 5.631 4.308 ( -5.271 3.807 -9.012) 11.112 4.375 ( -2.886 1.863 4.405) 5.586 4.579 ( 1.007 3.286 5.259) 6.282 5.055 ( -8.488 -3.073 -7.955) 12.032 5.317 ( -7.986 12.784 10.605) 18.430 5.563 ( -3.550 0.573 2.030) 4.129 5.878 ( -3.848 10.041 1.930) 10.925 5.995 ( 6.050 5.486 -10.959) 13.668 6.301 ( 4.440 -5.796 -1.580) 7.470 6.653 ( 2.990 1.872 -7.352) 8.155 6.722 ( 4.276 0.702 -0.886) 4.423 7.221 ( -11.516 4.060 0.891) 12.243 7.279 ( -7.195 0.445 -12.692) 14.596 7.897 ( -2.404 -9.803 2.908) 10.504 8.091 ( 1.999 -1.825 5.376) 6.019 8.370 ( 0.412 -10.503 -0.263) 10.514 8.627 ( -1.261 -1.468 1.375) 2.374 8.757 ( 7.442 -2.372 -6.359) 10.072 8.862 ( 2.951 -3.407 -5.610) 7.196 9.313 ( -6.617 0.973 4.658) 8.151 9.492 ( -9.702 -0.485 3.065) 10.186 10.031 ( 10.920 -2.566 -6.763) 13.099 10.468 ( 4.246 -0.451 5.023) 6.593 10.567 ( 2.497 0.539 4.868) 5.498 10.791 ( 8.861 -1.398 -5.768) 10.665 11.694 ( -6.045 8.148 2.769) 10.517 11.755 ( -7.193 7.473 3.831) 11.057 12.666 ( -5.293 -9.502 4.628) 11.820 12.831 ( -4.101 -11.807 -3.265) 12.918 13.824 ( -4.391 7.435 7.719) 11.582 13.968 ( 2.460 7.308 -3.699) 8.552 14.179 ( 0.207 3.821 -3.067) 4.904 14.560 ( 17.367 -1.727 1.896) 17.555 15.020 ( -7.921 6.714 10.531) 14.790 15.880 ( 5.513 -2.495 2.982) 6.746 16.357 ( 1.579 1.160 3.205) 3.756 16.395 ( 2.272 2.008 -1.895) 3.576 17.943 ( -12.554 -4.533 -1.481) 13.429 18.686 ( -7.357 2.475 -15.454) 17.294 18.871 ( 3.934 -1.516 8.089) 9.121 19.284 ( 2.128 -0.573 -3.813) 4.404 ======================= Grid point 345 (182/230) ======================= q-point: ( 0.33 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( 3.713 1.496 -2.445) 4.690 2.755 ( -2.210 -5.770 -2.825) 6.794 3.067 ( -7.007 -3.429 7.757) 11.001 3.271 ( 6.090 1.822 -3.976) 7.497 3.552 ( 5.005 0.542 1.120) 5.157 3.691 ( 1.956 -1.727 -8.424) 8.819 3.862 ( -0.222 3.320 -2.632) 4.242 4.102 ( -9.287 6.064 -7.525) 13.403 4.335 ( -3.465 1.158 2.975) 4.711 4.583 ( -3.799 7.895 0.710) 8.791 4.943 ( 1.064 -5.010 0.823) 5.187 5.249 ( -4.108 10.480 7.985) 13.801 5.504 ( -4.044 2.752 3.953) 6.289 5.783 ( -6.874 11.010 0.642) 12.995 6.005 ( 4.613 9.788 -15.952) 19.276 6.354 ( -1.188 -11.630 2.384) 11.931 6.617 ( 1.943 0.358 -10.931) 11.108 6.766 ( -4.354 0.358 4.076) 5.975 7.015 ( -4.470 0.258 -7.117) 8.409 7.141 ( -0.871 3.429 -4.547) 5.762 7.916 ( 0.822 -8.750 6.677) 11.037 8.141 ( -0.123 -0.371 2.754) 2.782 8.401 ( 2.381 -11.385 2.379) 11.872 8.581 ( -2.027 -0.212 -2.637) 3.333 8.832 ( 3.569 0.106 -9.884) 10.509 8.871 ( 1.751 2.973 -8.983) 9.623 9.215 ( -4.670 -3.658 5.379) 8.008 9.359 ( -4.853 -2.610 2.394) 6.007 10.233 ( 12.115 -4.317 -0.664) 12.878 10.577 ( 3.162 -1.705 6.524) 7.448 10.668 ( 4.759 0.510 2.581) 5.438 10.865 ( 1.312 -3.784 -3.094) 5.061 11.611 ( -5.565 7.433 4.689) 10.402 11.664 ( -3.875 8.758 2.758) 9.965 12.586 ( -5.735 -10.503 3.309) 12.416 12.725 ( -3.803 -12.194 -4.597) 13.575 13.759 ( -6.794 8.131 7.601) 13.040 13.927 ( -1.666 11.314 -7.344) 13.592 14.290 ( 9.974 0.407 2.787) 10.364 14.783 ( -7.150 4.758 19.171) 21.007 15.073 ( 16.599 -0.339 -6.712) 17.908 15.934 ( -2.096 -5.810 0.781) 6.226 16.440 ( 2.905 1.971 7.751) 8.509 16.461 ( 5.745 2.718 -0.435) 6.370 17.698 ( -10.408 -2.036 -3.682) 11.227 18.408 ( -9.566 0.365 -16.418) 19.005 18.991 ( 3.243 0.424 5.630) 6.511 19.285 ( 0.817 0.265 -3.545) 3.648 ======================= Grid point 346 (183/230) ======================= q-point: (-0.56 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( -1.933 -4.052 3.785) 5.872 2.736 ( 3.402 -1.650 -5.484) 6.662 2.933 ( -11.745 -3.289 8.910) 15.105 3.315 ( 3.293 -0.947 -10.503) 11.048 3.490 ( -10.863 1.227 -1.007) 10.978 3.668 ( -0.313 -2.124 -4.424) 4.918 3.863 ( -7.853 12.280 0.532) 14.586 3.923 ( 6.119 1.781 -9.266) 11.246 4.316 ( -0.674 2.193 4.905) 5.414 4.488 ( -4.138 4.506 -2.139) 6.481 5.100 ( 10.475 -0.744 7.677) 13.009 5.307 ( 3.688 7.135 9.748) 12.630 5.467 ( -3.348 5.768 6.050) 9.004 5.628 ( -8.857 8.813 0.035) 12.495 5.961 ( 2.602 10.507 -17.373) 20.469 6.238 ( -6.374 -6.824 -10.106) 13.760 6.581 ( -9.011 1.468 7.948) 12.105 6.700 ( 4.866 -5.283 -5.517) 9.056 6.983 ( 3.662 0.291 -3.997) 5.429 7.136 ( 0.999 -1.396 -3.645) 4.029 7.999 ( 2.673 -7.898 6.244) 10.417 8.130 ( -1.039 -1.900 -0.867) 2.333 8.479 ( 2.300 -7.819 3.289) 8.789 8.515 ( -2.975 1.752 -2.946) 4.539 8.743 ( -2.736 5.265 -10.365) 11.943 8.797 ( -4.418 4.994 -3.206) 7.398 9.261 ( 6.473 -6.686 0.503) 9.319 9.351 ( 2.797 -4.986 -1.338) 5.871 10.452 ( 8.751 -4.965 3.483) 10.647 10.676 ( 2.028 -2.754 6.622) 7.453 10.730 ( -0.960 -3.118 -3.157) 4.540 10.833 ( -0.141 -1.497 0.383) 1.552 11.542 ( -5.477 6.571 7.659) 11.482 11.644 ( 0.163 8.956 -0.197) 8.959 12.503 ( -4.841 -11.692 3.206) 13.054 12.638 ( -1.531 -12.355 -4.862) 13.366 13.683 ( -6.257 8.960 7.285) 13.134 13.868 ( 0.655 9.321 -5.184) 10.685 14.516 ( 7.561 2.859 6.808) 10.569 14.680 ( -9.861 5.248 11.341) 15.919 15.413 ( 18.636 -4.327 -2.353) 19.276 15.819 ( -7.927 -6.080 -3.803) 10.689 16.532 ( -0.427 1.840 8.974) 9.171 16.602 ( 8.461 3.475 0.590) 9.166 17.536 ( -3.696 -0.428 -0.796) 3.805 18.106 ( -9.862 -1.682 -17.730) 20.358 19.073 ( 1.850 2.308 4.422) 5.320 19.275 ( 0.919 0.915 -3.798) 4.013 ======================= Grid point 347 (184/230) ======================= q-point: (-0.44 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( -8.152 -6.156 3.229) 10.713 2.697 ( -8.288 -0.606 4.370) 9.389 2.847 ( -0.693 0.712 5.773) 5.858 3.212 ( -11.459 -2.061 6.564) 13.366 3.333 ( 0.762 -2.491 -7.485) 7.926 3.627 ( -11.686 8.785 4.423) 15.274 3.686 ( 4.883 0.064 -10.423) 11.510 4.056 ( 6.830 3.836 -1.423) 7.962 4.366 ( 1.956 4.654 5.168) 7.224 4.416 ( -1.944 2.663 -1.377) 3.573 5.318 ( 1.386 2.618 4.048) 5.016 5.381 ( -6.311 11.288 11.289) 17.167 5.451 ( 2.421 4.474 -0.373) 5.101 5.641 ( 11.575 0.921 6.824) 13.468 5.874 ( 1.483 6.307 -16.955) 18.151 6.063 ( -2.809 3.746 -11.653) 12.558 6.458 ( -5.805 3.755 5.126) 8.606 6.824 ( 6.683 -10.464 1.661) 12.526 7.059 ( 6.508 1.044 -3.307) 7.374 7.091 ( -1.752 -5.480 -6.900) 8.984 8.058 ( -1.208 -6.468 2.583) 7.068 8.132 ( 3.056 -2.879 -0.351) 4.213 8.412 ( -6.000 2.676 0.673) 6.604 8.474 ( -3.678 -1.799 0.061) 4.095 8.683 ( -3.123 2.431 -2.961) 4.943 8.727 ( 2.891 3.031 -0.139) 4.191 9.416 ( 9.522 -5.933 -6.502) 12.967 9.421 ( 7.896 -4.168 -5.595) 10.536 10.494 ( -10.919 -5.453 2.080) 12.381 10.654 ( 1.388 -5.070 0.294) 5.265 10.758 ( 1.167 -1.822 3.715) 4.299 10.865 ( 1.837 0.439 -1.655) 2.511 11.522 ( -1.665 6.764 7.434) 10.188 11.658 ( 1.458 7.090 0.208) 7.241 12.462 ( -1.604 -13.021 3.907) 13.689 12.612 ( 1.636 -11.614 -2.986) 12.103 13.627 ( -4.357 9.922 6.893) 12.843 13.882 ( 3.177 7.625 -2.356) 8.590 14.455 ( -13.391 2.512 10.247) 17.048 14.776 ( 6.526 4.207 5.038) 9.256 15.558 ( -7.752 -4.581 -5.944) 10.789 15.760 ( 12.052 -5.777 -3.119) 13.724 16.511 ( -6.416 0.623 5.285) 8.336 16.791 ( 10.984 3.268 -1.000) 11.503 17.568 ( 4.236 -0.435 7.251) 8.409 17.800 ( -9.536 -1.798 -15.725) 18.478 19.127 ( 1.202 4.060 3.213) 5.316 19.271 ( 1.534 1.011 -4.595) 4.948 ======================= Grid point 348 (185/230) ======================= q-point: (-0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( -16.336 -1.228 5.205) 17.189 2.652 ( -4.521 -2.287 17.532) 18.249 2.861 ( -1.324 0.891 3.075) 3.464 3.121 ( -6.025 -2.263 14.950) 16.276 3.278 ( -5.634 2.125 -1.384) 6.178 3.490 ( 0.406 -3.260 -3.683) 4.935 3.782 ( 7.650 3.631 -2.081) 8.720 4.125 ( -0.031 2.810 3.229) 4.281 4.400 ( 1.092 1.705 -0.612) 2.116 4.454 ( 3.580 8.491 4.287) 10.164 5.238 ( -2.056 -4.311 -8.948) 10.143 5.306 ( -8.562 15.356 13.574) 22.212 5.624 ( 8.246 7.091 1.226) 10.944 5.734 ( 2.294 0.521 -8.584) 8.901 5.879 ( 1.948 4.590 -9.234) 10.494 6.059 ( 4.142 5.853 6.327) 9.562 6.500 ( 10.747 5.156 -0.735) 11.943 6.860 ( -5.826 -8.576 -1.331) 10.453 7.045 ( 2.394 -8.683 -3.084) 9.521 7.188 ( 10.082 0.978 -4.858) 11.234 8.031 ( -1.576 -5.715 1.166) 6.042 8.197 ( 3.466 -4.925 -1.672) 6.250 8.328 ( -4.950 -0.773 5.574) 7.495 8.425 ( -2.001 2.993 5.529) 6.598 8.606 ( -1.530 0.504 -5.545) 5.774 8.802 ( 3.026 2.043 0.804) 3.739 9.509 ( 7.538 -3.093 -9.305) 12.368 9.572 ( 10.799 -4.070 -9.120) 14.709 10.213 ( -17.240 -6.000 0.401) 18.259 10.647 ( -4.765 -2.244 2.765) 5.948 10.765 ( -1.699 -0.706 -0.318) 1.867 10.865 ( -0.238 -0.312 -2.674) 2.703 11.587 ( 3.707 6.174 5.357) 8.975 11.712 ( 3.853 6.274 1.018) 7.433 12.500 ( 2.245 -13.819 5.132) 14.911 12.656 ( 3.778 -10.491 -0.193) 11.152 13.618 ( -1.451 10.634 7.209) 12.929 13.941 ( 3.269 6.961 -0.030) 7.690 14.269 ( -10.859 -0.694 5.673) 12.271 14.798 ( -10.809 0.284 6.608) 12.672 15.406 ( 2.009 2.889 -11.673) 12.192 15.945 ( 7.271 -7.968 -1.338) 10.870 16.399 ( -7.044 -0.559 2.977) 7.667 16.924 ( 3.166 -0.002 -11.929) 12.342 17.594 ( -0.364 -0.105 -2.343) 2.374 17.774 ( 8.091 -0.412 13.076) 15.383 19.163 ( 1.020 5.215 1.262) 5.462 19.268 ( 1.556 0.941 -5.529) 5.820 ======================= Grid point 349 (186/230) ======================= q-point: (-0.22 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( -11.238 1.611 13.704) 17.796 2.707 ( -4.798 2.532 21.194) 21.877 2.871 ( 0.143 -1.665 5.497) 5.746 3.137 ( -3.200 1.410 11.809) 12.316 3.141 ( -6.021 -2.116 0.038) 6.382 3.553 ( 6.099 -8.587 -1.298) 10.612 3.907 ( 5.552 6.931 0.022) 8.881 4.136 ( -0.886 1.760 5.173) 5.535 4.439 ( 1.168 4.500 2.562) 5.308 4.547 ( 3.360 7.679 3.089) 8.933 5.149 ( 0.179 -6.495 -8.813) 10.949 5.285 ( -3.321 14.263 12.787) 19.441 5.665 ( 3.941 5.091 -9.443) 11.429 5.820 ( 0.423 3.503 0.360) 3.547 5.872 ( 6.407 7.251 -0.478) 9.688 6.119 ( 0.980 3.821 0.533) 3.981 6.624 ( -8.031 -9.524 -10.128) 16.055 6.859 ( 16.000 5.281 6.879) 18.199 7.045 ( -0.996 -4.799 -5.001) 7.002 7.372 ( 12.141 -0.435 -4.967) 13.125 8.029 ( 0.319 -8.842 -0.171) 8.850 8.233 ( 0.660 -8.451 0.064) 8.477 8.292 ( -2.688 -2.037 4.893) 5.943 8.485 ( 2.949 3.303 8.128) 9.256 8.563 ( 1.410 2.535 -4.411) 5.279 8.831 ( 0.474 1.557 -2.675) 3.131 9.554 ( 2.287 -0.220 -5.243) 5.724 9.716 ( 9.380 -4.456 -9.903) 14.350 9.888 ( -13.964 -4.030 -0.430) 14.540 10.508 ( -11.486 -1.291 3.672) 12.127 10.702 ( -3.042 0.202 -3.817) 4.885 10.825 ( -1.400 -0.732 -4.254) 4.538 11.708 ( 4.686 6.846 4.011) 9.215 11.815 ( 6.469 5.973 -0.562) 8.822 12.605 ( 4.250 -13.407 6.299) 15.411 12.742 ( 4.524 -9.759 1.373) 10.844 13.666 ( 0.534 10.900 8.304) 13.713 13.966 ( -2.063 3.906 1.123) 4.558 14.165 ( -1.610 -0.826 2.722) 3.268 14.508 ( -18.965 -2.104 1.151) 19.116 15.436 ( 4.889 6.012 -7.237) 10.603 16.005 ( 0.249 -8.421 -3.208) 9.015 16.314 ( -3.423 0.138 2.466) 4.221 16.720 ( -9.979 2.174 -16.953) 19.792 17.763 ( 12.590 -3.451 6.664) 14.657 18.046 ( 9.199 -1.443 15.924) 18.447 19.179 ( 1.076 4.635 -2.937) 5.592 19.251 ( 0.427 1.898 -5.082) 5.441 ======================= Grid point 350 (187/230) ======================= q-point: (-0.11 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 0.073 3.339 17.021) 17.346 2.723 ( -6.505 9.002 14.711) 18.432 2.931 ( 0.876 0.755 5.938) 6.049 3.070 ( -1.561 -10.600 4.560) 11.645 3.162 ( -1.350 1.425 6.648) 6.932 3.666 ( 5.041 -7.877 0.714) 9.379 3.991 ( 2.748 10.533 1.156) 10.947 4.177 ( 2.530 0.465 2.741) 3.760 4.435 ( -4.519 5.980 6.256) 9.763 4.616 ( 2.383 3.130 -0.775) 4.010 5.179 ( 8.023 -8.268 -4.381) 12.326 5.326 ( -2.586 13.809 14.686) 20.324 5.666 ( -0.545 3.374 -4.089) 5.329 5.850 ( 3.244 7.778 1.378) 8.539 5.967 ( 3.646 5.507 -4.539) 8.014 6.169 ( 4.386 3.098 -0.764) 5.424 6.377 ( -9.187 -7.996 -4.592) 13.016 6.950 ( -2.860 -0.601 -9.602) 10.037 7.210 ( 14.512 1.976 4.419) 15.298 7.558 ( 9.766 -0.924 -4.857) 10.947 8.012 ( -0.680 -10.774 -3.571) 11.370 8.186 ( -7.649 -11.189 2.965) 13.874 8.291 ( 3.116 -2.349 -2.923) 4.876 8.587 ( 0.673 3.762 -1.599) 4.143 8.650 ( 8.466 3.656 6.451) 11.254 8.800 ( 0.130 0.852 -4.254) 4.341 9.487 ( -12.594 -3.479 6.909) 14.780 9.625 ( -0.721 0.038 -2.664) 2.760 9.938 ( 12.405 -1.263 -7.833) 14.725 10.284 ( -12.596 -2.323 1.040) 12.850 10.607 ( -3.689 1.003 -4.498) 5.903 10.757 ( -1.937 -0.535 -5.999) 6.327 11.799 ( 1.975 8.398 3.840) 9.443 11.923 ( 4.729 6.019 -2.351) 8.007 12.721 ( 2.185 -11.046 7.156) 13.341 12.841 ( 5.070 -11.048 0.688) 12.175 13.726 ( -0.274 7.825 7.641) 10.940 13.936 ( -0.420 1.330 1.038) 1.739 14.135 ( -11.322 -1.317 3.320) 11.872 14.249 ( 0.616 3.430 -3.247) 4.763 15.438 ( -2.908 0.766 1.071) 3.193 15.900 ( -5.939 0.141 -10.722) 12.258 16.296 ( -0.499 1.012 2.000) 2.296 16.463 ( -5.886 2.908 -7.454) 9.933 18.058 ( 11.414 -4.151 8.873) 15.042 18.305 ( 7.002 -6.323 11.941) 15.218 19.170 ( 2.454 1.823 -8.198) 8.749 19.211 ( -1.923 4.488 -3.246) 5.864 ======================= Grid point 351 (188/230) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 9.147 7.480 10.698) 15.939 2.786 ( -3.627 2.531 -7.928) 9.079 2.902 ( 2.390 -8.432 10.230) 13.471 3.055 ( -1.997 3.436 14.261) 14.804 3.171 ( -0.205 -1.735 2.290) 2.880 3.676 ( 5.225 -2.168 2.638) 6.242 4.214 ( -4.578 9.257 -2.953) 10.741 4.309 ( 6.672 4.785 2.051) 8.463 4.402 ( -2.027 -2.242 5.762) 6.507 4.597 ( -5.139 -1.620 -3.629) 6.497 5.209 ( 8.449 -6.926 6.427) 12.675 5.559 ( -5.057 3.307 1.421) 6.207 5.609 ( -5.760 4.469 -0.169) 7.293 5.984 ( -4.686 4.255 3.894) 7.431 6.108 ( 3.933 8.391 -3.758) 10.000 6.244 ( 7.282 2.973 -4.429) 9.027 6.370 ( 4.718 -0.241 7.992) 9.284 6.870 ( 1.086 1.720 -12.246) 12.414 7.444 ( 5.175 1.540 1.371) 5.570 7.610 ( 0.718 -0.824 -6.335) 6.429 7.741 ( -2.111 -11.896 1.706) 12.202 7.853 ( -3.672 -9.278 -2.670) 10.329 8.339 ( 7.094 -1.134 -1.240) 7.291 8.519 ( -7.803 -0.087 -7.407) 10.759 8.826 ( 0.998 0.443 -2.909) 3.107 8.831 ( 0.128 0.999 -1.965) 2.208 9.300 ( -2.541 -0.905 12.971) 13.249 9.700 ( 1.110 2.064 2.266) 3.260 9.972 ( -7.866 -1.270 -3.663) 8.770 10.171 ( 11.985 -0.139 -4.522) 12.810 10.540 ( -2.817 0.911 -1.994) 3.569 10.648 ( -0.766 -3.033 -6.640) 7.340 12.011 ( -1.891 9.547 2.997) 10.183 12.072 ( -0.879 6.049 -0.591) 6.141 12.563 ( -1.169 -11.024 9.481) 14.587 12.742 ( 0.600 -6.344 0.007) 6.373 13.831 ( 6.330 -0.008 0.609) 6.359 13.870 ( -5.370 0.109 -1.787) 5.661 14.144 ( 1.696 3.638 7.137) 8.189 14.376 ( 3.600 3.449 -1.786) 5.296 15.293 ( -11.046 -1.137 14.319) 18.121 15.860 ( -0.094 5.555 -16.121) 17.051 16.324 ( -0.085 0.622 1.817) 1.922 16.412 ( -0.282 1.019 -2.714) 2.913 18.205 ( -3.832 -1.816 9.868) 10.741 18.330 ( 11.002 -5.977 4.078) 13.168 19.169 ( -0.748 1.950 -5.306) 5.703 19.211 ( -0.369 0.628 -6.676) 6.716 ======================= Grid point 352 (189/230) ======================= q-point: ( 0.11 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 3.450 6.385 1.369) 7.386 2.730 ( 5.294 -0.244 -8.264) 9.818 2.979 ( -0.490 -2.927 6.637) 7.270 3.098 ( 0.618 -0.434 6.962) 7.002 3.245 ( 2.608 -0.544 11.315) 11.624 3.752 ( 4.637 0.063 -7.509) 8.826 4.024 ( -10.037 4.404 -1.786) 11.106 4.381 ( -7.198 -8.125 3.624) 11.444 4.420 ( -0.018 1.300 5.996) 6.136 4.581 ( 8.659 9.355 -3.141) 13.129 5.314 ( -10.225 0.769 -9.803) 14.186 5.400 ( 3.530 -6.517 11.181) 13.415 5.655 ( 0.836 8.865 6.204) 10.853 5.914 ( -3.542 1.052 2.780) 4.623 6.135 ( 0.886 9.543 -3.930) 10.358 6.306 ( 4.011 3.132 -9.864) 11.100 6.523 ( 5.261 -0.603 8.760) 10.236 6.808 ( 1.378 2.584 -14.197) 14.496 7.453 ( -4.863 0.585 -1.765) 5.206 7.496 ( -5.376 2.999 -6.045) 8.628 7.728 ( -1.365 -10.808 0.926) 10.933 7.869 ( 5.050 -8.680 2.978) 10.474 8.309 ( -7.189 -3.332 -5.099) 9.423 8.499 ( 7.861 -1.535 0.650) 8.036 8.744 ( -4.336 -1.309 -1.832) 4.886 8.791 ( -2.930 -1.962 -1.115) 3.699 9.384 ( 0.128 1.981 7.809) 8.057 9.665 ( -7.718 1.941 5.523) 9.687 9.894 ( 5.915 -1.512 -11.950) 13.419 10.359 ( 7.338 1.520 1.129) 7.578 10.514 ( -0.255 -0.409 2.979) 3.018 10.634 ( 5.699 -3.269 -7.956) 10.318 11.952 ( -5.669 8.176 2.334) 10.219 12.003 ( -6.170 6.138 1.970) 8.923 12.561 ( -4.866 -7.990 8.441) 12.601 12.723 ( -1.794 -7.402 -2.201) 7.928 13.849 ( 3.940 1.044 -0.811) 4.156 13.996 ( 4.325 2.080 5.076) 6.986 14.231 ( 8.445 0.071 -0.275) 8.449 14.378 ( -0.909 4.740 -5.781) 7.531 15.209 ( -9.211 3.089 17.386) 19.916 15.796 ( 3.005 2.262 -8.670) 9.451 16.336 ( 0.286 0.396 1.873) 1.936 16.409 ( 1.189 1.146 -2.205) 2.755 18.083 ( -10.619 -3.295 2.564) 11.411 18.591 ( 12.006 -3.691 2.188) 12.750 19.005 ( -9.150 2.195 -7.009) 11.733 19.243 ( 3.632 -0.083 -2.334) 4.318 ======================= Grid point 353 (190/230) ======================= q-point: ( 0.22 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 2.373 4.276 -7.247) 8.743 2.736 ( -2.948 -4.080 -2.455) 5.600 3.047 ( 1.926 0.712 5.017) 5.421 3.192 ( 5.680 0.655 2.318) 6.169 3.391 ( 5.412 -0.542 8.842) 10.381 3.738 ( 1.699 -0.333 -17.002) 17.090 3.885 ( -4.202 0.852 5.377) 6.878 4.241 ( -5.914 -7.811 -0.074) 9.797 4.439 ( -3.634 3.365 5.313) 7.263 4.734 ( 7.193 10.560 -0.653) 12.794 5.048 ( -9.825 1.261 -10.298) 14.289 5.506 ( -0.750 0.561 12.214) 12.250 5.599 ( -8.944 8.305 2.918) 12.549 5.960 ( 3.801 -4.470 5.655) 8.149 6.086 ( -2.354 7.640 -5.050) 9.456 6.284 ( 3.370 2.886 -15.649) 16.266 6.669 ( 2.731 -0.184 6.626) 7.170 6.731 ( 0.232 0.310 -9.822) 9.830 7.243 ( -10.518 -0.123 -8.535) 13.546 7.379 ( -5.260 8.052 -3.895) 10.376 7.705 ( -1.283 -9.013 3.849) 9.884 8.034 ( 7.100 -5.697 7.555) 11.830 8.172 ( -4.060 -7.763 -3.931) 9.602 8.607 ( -0.573 -0.692 1.589) 1.825 8.713 ( 5.462 -1.885 -3.205) 6.607 8.772 ( 3.088 -4.889 -1.494) 5.972 9.357 ( -6.168 2.782 1.648) 6.964 9.514 ( -9.918 2.060 1.530) 10.245 9.992 ( 10.781 -1.435 -8.618) 13.877 10.464 ( 1.924 -0.101 6.304) 6.591 10.568 ( 3.428 0.051 3.844) 5.151 10.735 ( 7.391 -3.827 -5.869) 10.184 11.849 ( -6.705 7.137 2.741) 10.169 11.890 ( -6.615 6.140 3.825) 9.802 12.501 ( -6.624 -7.381 6.420) 11.814 12.650 ( -3.054 -6.889 -4.974) 9.029 13.944 ( -1.909 5.188 6.326) 8.401 14.040 ( 5.845 0.865 1.435) 6.081 14.268 ( -4.214 4.474 -7.724) 9.871 14.521 ( 18.609 -1.958 -0.585) 18.721 15.153 ( -8.323 6.359 13.943) 17.439 15.832 ( 3.423 -2.318 -3.179) 5.215 16.375 ( 1.973 0.646 4.176) 4.664 16.429 ( 2.812 1.388 -2.023) 3.732 17.877 ( -10.527 -2.293 -1.986) 10.956 18.707 ( -5.155 -0.106 -17.514) 18.257 18.842 ( 2.252 -1.090 9.432) 9.758 19.287 ( 1.862 0.568 -0.909) 2.148 ======================= Grid point 354 (191/230) ======================= q-point: ( 0.33 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( -1.941 1.422 0.258) 2.420 2.671 ( 1.764 -3.007 -5.975) 6.918 3.023 ( -7.142 -1.482 4.647) 8.648 3.312 ( 5.715 2.303 -6.666) 9.077 3.535 ( 4.546 -1.888 -0.149) 4.925 3.675 ( 2.341 -0.009 -5.491) 5.969 3.867 ( -1.404 -1.296 -1.427) 2.384 4.163 ( -2.447 0.281 -2.258) 3.342 4.374 ( -4.300 2.569 3.355) 6.029 4.747 ( -9.533 7.208 -1.092) 12.001 4.905 ( 5.195 1.155 -2.286) 5.792 5.447 ( -6.202 9.749 4.644) 12.453 5.569 ( -1.286 3.215 9.599) 10.205 5.975 ( -6.917 8.083 0.566) 10.653 6.063 ( 3.133 -8.325 0.154) 8.896 6.233 ( 2.325 4.614 -16.232) 17.035 6.604 ( -3.653 -2.216 -9.253) 10.192 6.743 ( -3.722 -2.095 6.296) 7.608 7.037 ( -2.843 2.351 -7.952) 8.766 7.246 ( -4.927 6.237 -3.587) 8.720 7.750 ( 2.046 -7.113 5.845) 9.431 8.086 ( -2.667 -8.263 -2.884) 9.149 8.220 ( 6.748 -4.100 7.134) 10.642 8.577 ( -1.191 -0.208 -1.388) 1.841 8.811 ( 7.066 -1.811 -7.635) 10.559 8.879 ( 7.844 -1.552 -3.655) 8.791 9.206 ( -9.185 1.925 1.522) 9.507 9.334 ( -8.610 -0.134 0.821) 8.650 10.170 ( 11.426 -2.209 -2.552) 11.914 10.545 ( 1.628 -1.505 8.141) 8.437 10.675 ( 4.980 0.608 0.689) 5.064 10.780 ( 0.391 -4.573 -2.273) 5.122 11.734 ( -8.072 4.935 6.631) 11.553 11.832 ( -1.459 8.165 0.586) 8.315 12.397 ( -8.201 -8.987 5.233) 13.244 12.553 ( -2.274 -5.825 -7.315) 9.624 13.879 ( -6.699 4.424 7.257) 10.822 14.097 ( -3.488 6.222 -7.073) 10.045 14.303 ( 13.295 0.854 1.788) 13.442 14.826 ( 2.652 -0.018 15.035) 15.267 15.110 ( 4.707 3.671 -3.401) 6.870 15.831 ( -1.898 -4.618 -3.399) 6.040 16.470 ( 2.972 1.128 8.408) 8.988 16.506 ( 6.568 1.820 -1.217) 6.923 17.671 ( -8.538 -0.796 -3.629) 9.311 18.405 ( -11.413 -0.476 -16.418) 20.001 18.985 ( 4.923 -0.710 5.572) 7.469 19.303 ( 0.703 1.204 -1.292) 1.901 ======================= Grid point 355 (192/230) ======================= q-point: (-0.56 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -6.822 -2.632 7.742) 10.649 2.729 ( 7.367 0.278 -8.987) 11.625 2.889 ( -9.609 -1.424 7.531) 12.291 3.290 ( 0.533 -1.492 -12.791) 12.889 3.518 ( -12.292 1.658 -1.242) 12.465 3.627 ( 1.927 -1.960 -5.251) 5.927 3.923 ( 9.039 -0.847 -1.564) 9.212 4.044 ( -10.130 6.143 -1.621) 11.957 4.372 ( 1.523 3.087 4.200) 5.431 4.555 ( -7.629 2.268 -0.734) 7.993 5.119 ( 15.296 1.871 5.952) 16.519 5.440 ( 0.874 7.717 5.018) 9.246 5.598 ( -1.981 6.166 7.814) 10.149 5.773 ( -13.539 4.861 0.332) 14.390 6.088 ( -0.760 -6.123 -6.519) 8.976 6.168 ( 4.812 9.705 -15.292) 18.740 6.523 ( 2.049 -7.294 -4.708) 8.920 6.639 ( -9.668 -1.015 5.282) 11.063 7.017 ( 2.522 3.247 -3.023) 5.103 7.151 ( -2.795 2.137 -3.882) 5.239 7.840 ( 2.824 -7.008 5.350) 9.258 8.029 ( -1.521 -8.703 -2.154) 9.094 8.379 ( 5.314 -2.032 4.649) 7.347 8.538 ( -1.907 0.571 -2.681) 3.339 8.835 ( 1.127 4.092 -9.467) 10.375 8.906 ( -4.156 5.151 -4.857) 8.209 9.151 ( 4.873 -4.141 1.952) 6.687 9.253 ( 1.177 -4.911 -1.017) 5.152 10.376 ( 9.544 -2.887 1.982) 10.166 10.618 ( -3.252 -2.966 5.661) 7.171 10.666 ( -1.532 -2.826 -0.691) 3.288 10.820 ( 4.322 -0.318 -0.337) 4.347 11.650 ( -5.637 4.258 8.551) 11.092 11.815 ( -0.638 8.876 -1.014) 8.957 12.275 ( -7.351 -11.581 4.491) 14.434 12.481 ( 0.294 -4.709 -7.295) 8.688 13.813 ( -5.197 4.566 6.888) 9.762 14.000 ( -1.520 4.621 -4.672) 6.745 14.584 ( 10.961 3.728 5.493) 12.815 14.758 ( -13.233 2.476 14.039) 19.451 15.348 ( 17.470 -2.120 -5.868) 18.551 15.716 ( -6.058 -4.441 -6.337) 9.827 16.560 ( -1.147 1.053 9.412) 9.540 16.658 ( 9.542 2.164 -0.804) 9.817 17.531 ( -3.476 -0.104 -0.696) 3.547 18.074 ( -11.287 -1.474 -16.374) 19.942 19.099 ( 3.757 0.630 3.974) 5.505 19.301 ( 0.596 1.442 -2.603) 3.035 ======================= Grid point 356 (193/230) ======================= q-point: (-0.44 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( -8.273 -3.270 7.639) 11.726 2.693 ( -7.465 0.001 3.326) 8.173 2.875 ( 2.761 1.772 2.032) 3.859 3.166 ( -11.792 -2.468 4.909) 13.009 3.283 ( -1.984 -2.164 -7.831) 8.364 3.682 ( 7.012 -0.229 -8.577) 11.081 3.769 ( -15.104 5.511 1.691) 16.166 4.087 ( 4.729 0.081 3.971) 6.176 4.433 ( -2.817 1.619 1.820) 3.725 4.489 ( 4.669 4.494 2.609) 6.986 5.371 ( -7.869 3.073 -3.543) 9.161 5.522 ( 15.522 4.478 4.054) 16.656 5.610 ( -2.433 7.578 7.362) 10.842 5.641 ( 2.702 0.105 6.108) 6.680 5.980 ( 0.303 5.024 -16.854) 17.590 6.191 ( 3.347 9.089 -5.997) 11.392 6.507 ( -4.185 0.240 0.323) 4.204 6.619 ( 6.747 -9.924 3.877) 12.612 6.976 ( -6.266 -3.505 -2.414) 7.575 7.134 ( 4.332 3.746 -2.803) 6.376 7.898 ( -0.942 -7.964 3.523) 8.759 8.008 ( 1.292 -9.046 -1.614) 9.280 8.454 ( -3.313 1.557 -1.480) 3.948 8.467 ( -0.060 0.649 0.580) 0.873 8.759 ( -5.485 4.935 -3.291) 8.079 8.806 ( 0.179 3.896 -0.395) 3.920 9.306 ( 10.504 -5.099 -5.542) 12.924 9.343 ( 9.623 -3.544 -5.985) 11.874 10.411 ( -12.665 -3.171 0.703) 13.075 10.562 ( 4.481 -4.052 2.122) 6.403 10.720 ( 1.184 -1.808 4.136) 4.667 10.872 ( 1.997 0.235 -3.118) 3.710 11.643 ( -1.193 5.087 8.630) 10.088 11.797 ( -0.725 7.937 1.179) 8.056 12.201 ( -2.782 -13.378 3.694) 14.155 12.473 ( 3.051 -4.056 -4.728) 6.936 13.777 ( -3.167 5.587 6.764) 9.327 13.982 ( 1.603 3.132 -1.565) 3.851 14.507 ( -16.135 2.629 10.588) 19.477 14.842 ( 4.738 2.277 6.358) 8.250 15.506 ( -1.639 -0.468 -8.468) 8.638 15.648 ( 10.215 -5.711 -5.771) 13.048 16.526 ( -7.556 0.726 6.181) 9.789 16.839 ( 9.836 1.741 -2.694) 10.346 17.559 ( 3.955 -0.453 7.304) 8.318 17.769 ( -9.260 -1.308 -13.444) 16.377 19.187 ( 3.117 2.070 2.432) 4.463 19.292 ( 1.025 1.099 -4.518) 4.761 ======================= Grid point 357 (194/230) ======================= q-point: (-0.33 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( -12.063 -0.249 6.261) 13.593 2.624 ( -4.633 -0.983 12.715) 13.568 2.902 ( -2.257 3.216 5.414) 6.689 3.061 ( -5.656 -3.572 15.652) 17.022 3.264 ( 2.295 -2.591 -5.147) 6.203 3.476 ( -10.820 0.962 -4.279) 11.676 3.843 ( 9.807 2.577 -0.262) 10.143 4.142 ( -1.882 -0.174 6.051) 6.339 4.398 ( -0.650 -0.602 1.558) 1.792 4.635 ( 6.719 7.826 3.374) 10.852 5.177 ( -4.957 -1.861 -10.309) 11.589 5.580 ( -5.733 10.804 10.329) 16.009 5.722 ( 4.789 0.199 5.490) 7.288 5.795 ( 5.684 9.412 -10.005) 14.866 5.959 ( 7.577 3.030 -9.309) 12.379 6.204 ( -3.541 8.450 9.827) 13.435 6.539 ( 10.240 -2.643 -14.028) 17.568 6.740 ( -0.543 -2.020 5.143) 5.552 6.871 ( 1.851 -8.750 1.885) 9.140 7.229 ( 6.878 2.949 -1.708) 7.676 7.864 ( -3.087 -9.895 1.058) 10.420 8.036 ( 1.563 -9.080 -1.110) 9.280 8.352 ( -5.067 1.595 0.237) 5.318 8.480 ( 0.405 2.179 2.353) 3.232 8.661 ( -1.763 4.437 -3.943) 6.193 8.838 ( 1.651 1.137 0.679) 2.116 9.459 ( 10.454 -1.746 -10.032) 14.594 9.500 ( 11.234 -3.244 -7.317) 13.794 10.122 ( -16.773 -3.418 0.330) 17.121 10.603 ( -3.195 -2.011 3.375) 5.064 10.739 ( -1.000 -1.645 0.665) 2.037 10.857 ( -0.377 -0.432 -5.110) 5.142 11.718 ( 3.433 6.689 7.144) 10.371 11.828 ( 2.348 6.277 3.936) 7.772 12.224 ( 2.130 -13.951 4.293) 14.752 12.529 ( 4.734 -3.913 -1.384) 6.296 13.789 ( -0.551 6.822 7.453) 10.119 14.029 ( 3.117 2.485 0.936) 4.095 14.263 ( -14.446 0.146 5.779) 15.559 14.789 ( -14.407 -0.976 5.351) 15.400 15.492 ( 8.102 5.837 -10.655) 14.603 15.786 ( 5.762 -8.306 -2.894) 10.515 16.402 ( -7.612 0.445 4.253) 8.731 16.928 ( 1.964 0.312 -11.578) 11.747 17.594 ( -0.428 0.046 -2.517) 2.553 17.757 ( 7.704 -1.114 13.770) 15.818 19.245 ( 1.980 3.121 -1.868) 4.141 19.283 ( 1.733 0.535 -4.452) 4.808 ======================= Grid point 358 (195/230) ======================= q-point: (-0.22 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( -7.048 4.164 11.031) 13.737 2.670 ( -0.414 -5.220 13.460) 14.442 2.904 ( -4.824 4.544 15.609) 16.958 3.097 ( -2.405 -1.498 12.005) 12.335 3.189 ( -6.314 2.647 -3.047) 7.493 3.397 ( 4.891 -7.545 -2.562) 9.349 4.016 ( 7.584 4.610 0.020) 8.875 4.146 ( -0.932 -0.475 6.321) 6.407 4.444 ( 3.095 -1.113 3.553) 4.841 4.762 ( 2.652 10.608 4.216) 11.719 5.028 ( -2.030 -4.777 -12.935) 13.938 5.550 ( -4.456 10.004 10.367) 15.081 5.790 ( 4.611 9.038 -8.625) 13.316 5.865 ( 3.735 1.717 6.136) 7.386 6.029 ( 4.418 7.066 -4.023) 9.254 6.194 ( -2.408 4.305 6.018) 7.782 6.412 ( -9.369 -11.903 -10.464) 18.411 6.932 ( 5.623 -2.383 0.231) 6.112 6.994 ( 14.251 4.052 0.760) 14.836 7.372 ( 9.280 0.623 -2.117) 9.538 7.818 ( -2.093 -11.826 0.209) 12.011 8.045 ( -0.269 -9.287 -0.074) 9.291 8.268 ( -3.402 -0.687 -1.183) 3.666 8.543 ( 4.490 2.273 3.658) 6.221 8.648 ( 2.470 5.170 -1.841) 6.018 8.846 ( -0.095 -0.155 -3.876) 3.880 9.556 ( 5.661 0.284 -6.682) 8.763 9.645 ( 3.649 -2.682 -5.670) 7.257 9.829 ( -7.713 -2.115 -1.991) 8.242 10.482 ( -11.677 -1.161 4.234) 12.475 10.698 ( -2.205 -0.523 -2.658) 3.493 10.799 ( -1.575 -1.618 -6.126) 6.529 11.860 ( 6.177 8.568 5.184) 11.767 11.925 ( 4.910 5.425 2.578) 7.758 12.328 ( 4.579 -14.313 6.530) 16.385 12.621 ( 4.645 -3.985 0.934) 6.191 13.847 ( -0.386 7.478 8.582) 11.390 14.013 ( -7.641 1.414 2.168) 8.068 14.149 ( 2.231 -0.829 3.416) 4.163 14.469 ( -18.098 -1.806 -0.446) 18.194 15.541 ( -1.588 4.451 -1.284) 4.896 15.866 ( 7.303 -5.502 -6.765) 11.374 16.325 ( -2.995 0.708 3.170) 4.419 16.752 ( -7.977 1.211 -15.967) 17.890 17.718 ( 10.342 -1.377 5.078) 11.603 18.010 ( 6.809 -1.857 16.985) 18.393 19.225 ( 0.959 0.930 -9.152) 9.249 19.303 ( 1.299 2.609 -1.666) 3.356 ======================= Grid point 359 (196/230) ======================= q-point: (-0.11 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 2.873 6.988 12.956) 14.999 2.776 ( 2.275 -7.919 11.826) 14.413 2.901 ( -7.942 3.142 13.884) 16.301 3.030 ( -1.925 3.883 -2.729) 5.122 3.166 ( -0.848 -1.128 5.085) 5.277 3.527 ( 6.285 -6.015 6.104) 10.627 4.154 ( 7.852 5.142 -0.409) 9.395 4.198 ( 2.039 2.179 4.056) 5.036 4.487 ( -3.454 1.234 3.203) 4.869 4.718 ( -5.870 4.917 -2.449) 8.039 5.030 ( 7.712 -5.288 -2.631) 9.714 5.548 ( -2.742 6.844 9.328) 11.890 5.778 ( -4.093 8.658 -1.971) 9.777 5.987 ( 2.095 4.314 8.379) 9.654 6.070 ( 3.539 5.267 -6.269) 8.920 6.184 ( 0.457 -3.302 -10.425) 10.945 6.252 ( 0.080 -1.762 7.956) 8.149 6.932 ( 0.113 -1.147 -7.818) 7.902 7.275 ( 11.214 5.087 1.500) 12.405 7.537 ( 8.936 -1.647 -3.542) 9.752 7.779 ( -1.958 -12.411 -0.568) 12.578 7.986 ( -6.540 -8.752 0.005) 10.926 8.244 ( 3.620 -2.120 -3.594) 5.524 8.660 ( 0.268 3.658 -2.931) 4.695 8.722 ( 7.867 3.270 2.137) 8.783 8.803 ( 1.206 -0.586 -5.091) 5.265 9.421 ( -15.378 -2.854 7.070) 17.164 9.639 ( 4.824 1.062 -3.755) 6.205 9.932 ( 12.787 0.415 -6.983) 14.575 10.242 ( -14.639 -1.884 2.625) 14.991 10.624 ( -2.893 1.042 -4.520) 5.467 10.720 ( -2.109 -2.915 -5.840) 6.859 11.980 ( 2.448 10.411 4.286) 11.522 12.034 ( 5.051 5.082 -0.855) 7.216 12.469 ( 4.060 -13.835 8.526) 16.751 12.704 ( 2.842 -4.578 1.421) 5.572 13.805 ( -4.298 1.048 2.319) 4.995 14.007 ( -0.790 5.321 6.128) 8.154 14.107 ( -10.077 -1.352 2.464) 10.462 14.293 ( 4.320 1.118 -1.106) 4.597 15.430 ( -10.535 -1.042 7.942) 13.234 15.934 ( 5.258 2.585 -14.398) 15.544 16.314 ( -0.572 0.776 2.363) 2.552 16.507 ( -6.581 1.619 -9.117) 11.360 17.992 ( 13.205 -2.603 6.201) 14.819 18.208 ( 1.652 -3.724 15.160) 15.698 19.182 ( 1.874 0.260 -9.773) 9.954 19.288 ( -1.232 2.822 -3.728) 4.836 ======================= Grid point 360 (197/230) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 10.692 -0.000 6.905) 12.727 2.729 ( -2.427 0.000 5.275) 5.806 2.877 ( 0.343 -0.000 0.271) 0.437 3.114 ( -1.688 -0.000 -1.531) 2.279 3.122 ( -0.232 0.000 13.243) 13.245 3.659 ( 5.279 0.000 7.817) 9.433 4.281 ( 1.523 0.000 2.007) 2.519 4.365 ( -0.650 0.000 4.182) 4.233 4.453 ( -10.902 -0.000 -4.141) 11.662 4.526 ( 5.306 0.000 -3.845) 6.553 5.138 ( 4.920 0.000 8.551) 9.865 5.593 ( -10.969 0.000 -9.144) 14.281 5.638 ( 1.671 0.000 6.486) 6.698 6.029 ( -3.260 0.000 -0.063) 3.260 6.226 ( 3.696 0.000 2.623) 4.532 6.265 ( 6.947 0.000 -3.448) 7.756 6.363 ( 4.141 0.000 9.204) 10.093 6.890 ( 2.201 -0.000 -11.579) 11.786 7.510 ( -0.307 -0.000 -0.841) 0.895 7.515 ( 5.381 0.000 -0.124) 5.382 7.668 ( 2.922 -0.000 -2.015) 3.549 7.736 ( -7.978 0.000 -3.236) 8.610 8.327 ( 7.978 0.000 -1.201) 8.068 8.518 ( -9.732 0.000 -8.327) 12.808 8.826 ( -1.909 0.000 -3.682) 4.148 8.843 ( 1.233 0.000 -2.546) 2.829 9.294 ( -0.530 0.000 13.355) 13.365 9.722 ( 1.684 0.000 1.012) 1.964 9.961 ( -9.783 0.000 -2.538) 10.106 10.171 ( 13.733 0.000 -3.874) 14.270 10.561 ( -3.673 0.000 -3.466) 5.050 10.599 ( -0.361 -0.000 -5.765) 5.776 12.128 ( -1.078 0.000 0.696) 1.283 12.141 ( -2.588 0.000 -0.589) 2.654 12.424 ( 0.578 0.000 13.706) 13.718 12.680 ( -0.209 0.000 -0.651) 0.683 13.827 ( 7.024 0.000 -0.397) 7.035 13.871 ( -5.149 0.000 -2.635) 5.784 14.182 ( 0.355 0.000 8.306) 8.313 14.408 ( 4.527 0.000 -1.098) 4.659 15.283 ( -10.231 0.000 15.737) 18.770 15.916 ( 0.076 0.000 -17.664) 17.664 16.330 ( -0.303 0.000 2.013) 2.036 16.422 ( -0.224 0.000 -2.819) 2.828 18.189 ( -7.197 0.000 9.295) 11.756 18.269 ( 14.198 -0.000 4.591) 14.922 19.188 ( 3.943 0.000 -5.526) 6.788 19.216 ( -5.289 0.000 -6.425) 8.323 ======================= Grid point 362 (198/230) ======================= q-point: ( 0.11 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( -0.904 0.000 -9.517) 9.560 2.668 ( 6.098 -0.000 3.861) 7.217 2.968 ( 3.996 -0.000 6.204) 7.379 3.086 ( 2.353 0.000 -3.191) 3.964 3.235 ( 1.166 -0.000 16.369) 16.411 3.756 ( 3.611 0.000 -4.191) 5.533 4.101 ( -12.382 0.000 -3.094) 12.762 4.252 ( -10.042 0.000 4.918) 11.182 4.444 ( 1.638 0.000 6.564) 6.766 4.696 ( 12.278 0.000 -5.898) 13.622 5.302 ( 3.970 0.000 13.888) 14.444 5.330 ( -9.763 0.000 -10.788) 14.549 5.749 ( 4.997 0.000 5.928) 7.753 5.924 ( -8.056 0.000 0.744) 8.091 6.250 ( -1.972 0.000 -0.244) 1.987 6.331 ( 5.548 0.000 -12.661) 13.823 6.515 ( 4.816 0.000 9.733) 10.860 6.836 ( 0.326 -0.000 -12.692) 12.696 7.444 ( -5.589 0.000 -4.749) 7.335 7.571 ( -0.373 0.000 -2.300) 2.330 7.610 ( -2.342 -0.000 -0.386) 2.373 7.749 ( 6.162 0.000 4.254) 7.488 8.275 ( -9.460 0.000 -5.976) 11.190 8.484 ( 8.060 0.000 1.078) 8.131 8.725 ( -4.153 0.000 -0.985) 4.268 8.778 ( -5.606 0.000 -1.639) 5.840 9.406 ( 1.100 0.000 7.523) 7.603 9.688 ( -7.480 0.000 5.385) 9.217 9.879 ( 6.356 0.000 -12.654) 14.161 10.379 ( 6.777 0.000 2.780) 7.325 10.515 ( -0.243 0.000 1.988) 2.003 10.587 ( 5.608 0.000 -8.655) 10.313 12.054 ( -6.090 0.000 1.186) 6.204 12.059 ( -6.764 -0.000 2.315) 7.150 12.471 ( -4.344 0.000 11.532) 12.323 12.649 ( -1.299 0.000 -3.840) 4.054 13.858 ( 5.220 -0.000 -1.932) 5.566 14.014 ( 6.466 0.000 4.320) 7.776 14.232 ( 5.393 0.000 0.803) 5.453 14.424 ( -0.919 0.000 -5.350) 5.429 15.241 ( -7.247 0.000 19.282) 20.599 15.820 ( 1.429 0.000 -11.608) 11.695 16.339 ( 0.143 0.000 2.106) 2.111 16.421 ( 1.280 0.000 -2.240) 2.580 18.051 ( -10.271 0.000 2.203) 10.505 18.553 ( 12.544 0.000 2.500) 12.790 19.026 ( -9.446 0.000 -7.643) 12.151 19.243 ( 3.642 0.000 -1.300) 3.867 ======================= Grid point 364 (199/230) ======================= q-point: ( 0.22 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( 3.968 0.000 -12.172) 12.802 2.677 ( -5.838 -0.000 2.569) 6.378 3.055 ( 0.233 0.000 4.018) 4.024 3.209 ( 11.098 0.000 -3.674) 11.690 3.375 ( 3.206 -0.000 12.170) 12.586 3.731 ( 0.853 0.000 -16.060) 16.083 3.916 ( -6.903 0.000 6.374) 9.396 4.136 ( -3.804 -0.000 3.862) 5.421 4.473 ( -3.149 0.000 4.350) 5.370 4.859 ( 8.562 0.000 -6.603) 10.812 5.069 ( -10.556 0.000 -8.833) 13.764 5.465 ( 2.584 0.000 14.983) 15.204 5.736 ( -11.760 -0.000 2.456) 12.014 5.876 ( 3.235 0.000 5.000) 5.955 6.170 ( -3.955 0.000 -3.443) 5.243 6.325 ( 5.836 0.000 -19.089) 19.961 6.663 ( 3.006 0.000 9.358) 9.829 6.732 ( -3.026 -0.000 -10.064) 10.509 7.246 ( -9.361 0.000 -7.435) 11.954 7.471 ( -7.557 0.000 -1.660) 7.737 7.626 ( 2.499 -0.000 1.297) 2.816 7.924 ( 6.433 0.000 4.388) 7.787 8.116 ( -3.197 0.000 -1.244) 3.430 8.600 ( -0.102 0.000 1.674) 1.677 8.699 ( 2.178 0.000 -0.318) 2.201 8.714 ( 4.647 -0.000 -1.950) 5.040 9.387 ( -5.827 0.000 0.920) 5.899 9.539 ( -9.908 0.000 0.773) 9.938 9.978 ( 10.928 0.000 -9.380) 14.402 10.462 ( 0.250 -0.000 7.527) 7.531 10.574 ( 3.857 0.000 4.040) 5.585 10.686 ( 7.611 0.000 -7.127) 10.427 11.923 ( -9.550 0.000 5.149) 10.849 11.958 ( -3.984 0.000 1.027) 4.114 12.421 ( -7.955 0.000 8.963) 11.984 12.582 ( -1.670 0.000 -7.091) 7.285 14.013 ( -7.295 -0.000 7.991) 10.820 14.027 ( 12.381 0.000 0.065) 12.381 14.314 ( -4.843 0.000 -8.271) 9.584 14.500 ( 18.893 0.000 -1.262) 18.935 15.221 ( -8.320 0.000 15.851) 17.902 15.806 ( 2.494 0.000 -6.585) 7.042 16.381 ( 2.167 0.000 4.612) 5.096 16.443 ( 3.012 0.000 -2.105) 3.674 17.856 ( -9.721 0.000 -2.070) 9.939 18.701 ( -2.499 0.000 -17.462) 17.640 18.833 ( -0.332 0.000 9.289) 9.295 19.294 ( 1.959 0.000 -0.094) 1.961 ======================= Grid point 366 (200/230) ======================= q-point: ( 0.33 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( -8.377 0.000 5.415) 9.975 2.642 ( 7.809 0.000 -11.429) 13.842 3.009 ( -7.232 -0.000 3.644) 8.099 3.339 ( 4.785 0.000 -11.164) 12.147 3.512 ( 5.357 0.000 2.519) 5.919 3.676 ( 3.473 0.000 -5.839) 6.794 3.851 ( -4.913 0.000 2.004) 5.306 4.156 ( 2.327 0.000 0.343) 2.352 4.403 ( -4.525 0.000 2.428) 5.135 4.806 ( -12.438 0.000 -3.484) 12.917 4.942 ( 5.662 0.000 -3.723) 6.777 5.572 ( -6.325 -0.000 4.240) 7.615 5.596 ( 0.959 0.000 12.731) 12.767 5.921 ( -1.232 0.000 4.007) 4.192 6.073 ( -4.457 0.000 -3.723) 5.807 6.312 ( 6.318 0.000 -19.030) 20.052 6.563 ( -7.846 -0.000 -8.351) 11.459 6.717 ( -3.597 -0.000 6.235) 7.199 7.077 ( -1.389 0.000 -6.363) 6.513 7.304 ( -8.747 -0.000 0.882) 8.791 7.700 ( 3.987 -0.000 1.446) 4.241 7.950 ( -1.477 0.000 -2.982) 3.328 8.201 ( 6.587 0.000 7.077) 9.668 8.575 ( -0.951 0.000 -1.142) 1.486 8.789 ( 7.987 0.000 -4.478) 9.157 8.857 ( 9.258 -0.000 -2.757) 9.660 9.233 ( -9.371 0.000 0.314) 9.376 9.337 ( -10.454 0.000 -0.979) 10.500 10.150 ( 11.180 0.000 -3.367) 11.676 10.529 ( 0.996 0.000 8.976) 9.031 10.696 ( 6.194 0.000 2.049) 6.524 10.717 ( -0.753 0.000 -4.105) 4.174 11.783 ( -9.164 0.000 7.530) 11.861 11.926 ( 0.450 0.000 -1.264) 1.341 12.295 ( -10.850 -0.000 7.548) 13.217 12.499 ( -0.958 0.000 -8.979) 9.030 13.922 ( -6.920 0.000 7.121) 9.929 14.155 ( -4.581 0.000 -7.312) 8.629 14.314 ( 15.367 0.000 1.671) 15.458 14.819 ( 6.413 0.000 12.244) 13.822 15.156 ( -0.408 0.000 -0.405) 0.575 15.782 ( -1.493 0.000 -5.468) 5.668 16.481 ( 2.969 0.000 8.578) 9.077 16.524 ( 6.897 0.000 -1.473) 7.053 17.664 ( -7.916 0.000 -3.597) 8.695 18.399 ( -11.925 0.000 -16.618) 20.454 18.977 ( 5.374 0.000 6.055) 8.096 19.316 ( 0.768 0.000 -0.787) 1.099 ======================= Grid point 368 (201/230) ======================= q-point: (-0.56 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( -7.923 0.000 8.761) 11.812 2.733 ( 7.780 0.000 -9.947) 12.628 2.876 ( -8.445 0.000 7.072) 11.015 3.273 ( -0.502 0.000 -13.571) 13.580 3.539 ( -16.397 0.000 -0.977) 16.426 3.603 ( 5.906 0.000 -6.489) 8.774 3.912 ( 9.214 0.000 2.315) 9.500 4.101 ( -9.304 -0.000 -2.562) 9.651 4.406 ( 2.833 0.000 3.793) 4.735 4.575 ( -9.454 0.000 0.227) 9.457 5.140 ( 16.272 0.000 4.402) 16.857 5.554 ( 0.404 -0.000 4.517) 4.535 5.657 ( -2.477 0.000 5.074) 5.646 5.781 ( -15.340 0.000 3.252) 15.681 6.036 ( 4.759 0.000 -5.493) 7.268 6.310 ( 5.975 0.000 -16.312) 17.372 6.411 ( -1.105 0.000 -4.868) 4.992 6.620 ( -8.485 0.000 2.707) 8.907 7.089 ( 3.960 -0.000 -1.573) 4.260 7.149 ( -9.183 0.000 1.886) 9.375 7.792 ( 4.585 0.000 1.130) 4.722 7.899 ( -2.262 0.000 -1.702) 2.831 8.368 ( 6.046 0.000 4.622) 7.610 8.542 ( -1.525 0.000 -2.586) 3.002 8.878 ( 3.230 0.000 -8.550) 9.139 8.956 ( 0.235 0.000 -5.429) 5.434 9.119 ( -0.255 0.000 3.026) 3.037 9.194 ( 0.400 0.000 -1.748) 1.793 10.348 ( 9.880 0.000 1.194) 9.952 10.586 ( -6.431 0.000 4.434) 7.811 10.638 ( 0.077 0.000 1.684) 1.685 10.817 ( 5.423 0.000 -0.973) 5.510 11.692 ( -5.757 0.000 8.861) 10.567 11.937 ( 2.421 -0.000 -4.490) 5.102 12.126 ( -11.887 0.000 8.604) 14.674 12.439 ( 1.227 0.000 -8.544) 8.632 13.856 ( -4.776 0.000 6.573) 8.125 14.044 ( -2.278 0.000 -4.624) 5.155 14.627 ( 14.352 0.000 3.947) 14.885 14.776 ( -16.645 0.000 17.074) 23.844 15.331 ( 16.948 0.000 -7.831) 18.670 15.670 ( -5.305 0.000 -7.392) 9.099 16.570 ( -1.263 0.000 9.459) 9.543 16.679 ( 9.758 0.000 -1.235) 9.836 17.530 ( -3.499 0.000 -0.730) 3.575 18.058 ( -11.700 0.000 -15.929) 19.764 19.104 ( 4.406 0.000 4.188) 6.079 19.317 ( 0.508 0.000 -2.440) 2.493 ======================= Grid point 370 (202/230) ======================= q-point: (-0.44 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( -8.432 0.000 8.854) 12.227 2.693 ( -6.444 0.000 2.807) 7.029 2.896 ( 4.250 0.000 1.241) 4.427 3.138 ( -11.859 0.000 3.262) 12.300 3.262 ( -4.158 0.000 -6.818) 7.986 3.680 ( 7.289 0.000 -8.395) 11.118 3.824 ( -15.528 0.000 0.827) 15.550 4.084 ( 4.121 0.000 6.301) 7.529 4.447 ( -5.178 0.000 1.469) 5.382 4.536 ( 7.516 0.000 3.360) 8.233 5.408 ( -13.703 0.000 -7.389) 15.568 5.568 ( 22.202 0.000 5.254) 22.815 5.619 ( 2.895 0.000 4.310) 5.192 5.699 ( -3.066 0.000 7.041) 7.679 6.042 ( 1.870 0.000 -13.834) 13.960 6.318 ( 2.419 0.000 -5.757) 6.245 6.490 ( -1.781 -0.000 -6.643) 6.877 6.495 ( 8.717 0.000 5.364) 10.235 6.956 ( -12.773 0.000 3.004) 13.122 7.171 ( 4.203 -0.000 1.446) 4.445 7.834 ( -3.446 -0.000 -1.554) 3.780 7.881 ( 3.894 0.000 0.274) 3.904 8.472 ( 2.480 0.000 1.133) 2.726 8.473 ( -3.812 -0.000 -2.813) 4.738 8.827 ( -6.460 0.000 -3.703) 7.446 8.836 ( -1.561 -0.000 0.340) 1.598 9.251 ( 11.884 0.000 -4.875) 12.845 9.306 ( 10.473 0.000 -6.560) 12.358 10.380 ( -13.525 0.000 -0.108) 13.525 10.520 ( 5.845 0.000 3.034) 6.585 10.701 ( 1.089 0.000 4.395) 4.528 10.874 ( 2.090 0.000 -3.712) 4.260 11.692 ( -0.357 0.000 8.651) 8.659 11.959 ( 3.945 -0.000 -6.233) 7.376 11.986 ( -9.321 0.000 12.412) 15.522 12.436 ( 3.594 0.000 -5.921) 6.926 13.831 ( -2.367 0.000 6.562) 6.976 14.010 ( 0.800 0.000 -1.433) 1.641 14.536 ( -17.536 0.000 10.867) 20.630 14.861 ( 3.502 0.000 7.452) 8.234 15.526 ( -0.024 0.000 -12.527) 12.527 15.569 ( 10.956 0.000 -4.165) 11.721 16.533 ( -7.839 -0.000 6.426) 10.137 16.856 ( 9.420 0.000 -3.236) 9.960 17.554 ( 3.770 0.000 7.249) 8.171 17.755 ( -9.098 0.000 -12.636) 15.570 19.205 ( 3.865 0.000 2.487) 4.597 19.304 ( 0.735 0.000 -4.746) 4.803 ======================= Grid point 372 (203/230) ======================= q-point: (-0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( -9.738 -0.000 7.172) 12.094 2.614 ( -5.827 0.000 9.541) 11.179 2.957 ( 0.292 0.000 3.468) 3.480 3.005 ( -7.718 -0.000 19.580) 21.046 3.233 ( 3.689 0.000 -6.582) 7.545 3.489 ( -13.430 0.000 -4.285) 14.097 3.870 ( 10.765 0.000 0.184) 10.766 4.137 ( -2.664 0.000 7.336) 7.805 4.391 ( -1.632 0.000 2.238) 2.770 4.711 ( 7.852 0.000 3.045) 8.422 5.163 ( -5.809 0.000 -10.540) 12.035 5.676 ( -3.936 0.000 5.834) 7.038 5.718 ( 4.310 0.000 5.061) 6.648 5.946 ( 13.212 0.000 -0.621) 13.227 5.971 ( 1.983 0.000 -13.722) 13.864 6.291 ( -5.517 0.000 7.510) 9.319 6.495 ( 4.182 0.000 -17.492) 17.985 6.730 ( 9.935 -0.000 5.304) 11.262 6.776 ( -1.818 0.000 7.267) 7.491 7.268 ( 4.749 0.000 2.476) 5.356 7.751 ( -3.749 0.000 -1.776) 4.148 7.934 ( 1.935 0.000 -1.145) 2.248 8.368 ( -5.157 0.000 -1.794) 5.460 8.501 ( 0.968 -0.000 1.208) 1.548 8.718 ( -2.029 0.000 -3.309) 3.882 8.842 ( 0.883 -0.000 0.293) 0.931 9.451 ( 9.725 0.000 -8.742) 13.077 9.459 ( 13.690 -0.000 -7.583) 15.650 10.089 ( -16.563 0.000 0.307) 16.565 10.582 ( -2.469 0.000 3.822) 4.550 10.720 ( -0.887 0.000 0.913) 1.273 10.852 ( -0.546 0.000 -6.163) 6.187 11.788 ( 4.742 0.000 6.466) 8.018 11.962 ( -3.350 0.000 16.770) 17.101 12.012 ( 5.836 0.000 -5.725) 8.175 12.493 ( 5.054 0.000 -2.497) 5.637 13.857 ( 0.156 0.000 7.528) 7.530 14.049 ( 3.229 0.000 1.059) 3.398 14.267 ( -16.195 0.000 5.935) 17.248 14.777 ( -15.348 0.000 4.868) 16.102 15.590 ( 14.541 0.000 -12.764) 19.349 15.665 ( 0.514 0.000 -0.844) 0.988 16.407 ( -7.677 -0.000 4.551) 8.924 16.932 ( 1.643 0.000 -11.454) 11.571 17.595 ( -0.402 -0.000 -2.629) 2.659 17.744 ( 7.464 0.000 14.087) 15.942 19.278 ( 0.803 -0.000 -7.510) 7.552 19.284 ( 3.191 0.000 0.558) 3.240 ======================= Grid point 374 (204/230) ======================= q-point: (-0.22 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -3.812 -0.000 9.192) 9.951 2.604 ( -3.303 0.000 13.215) 13.622 2.968 ( -4.666 0.000 13.235) 14.034 3.072 ( -1.329 -0.000 19.024) 19.070 3.239 ( -7.110 -0.000 -10.721) 12.864 3.296 ( 5.392 0.000 0.873) 5.462 4.069 ( 9.049 -0.000 -0.042) 9.049 4.132 ( -1.662 0.000 7.028) 7.221 4.432 ( 3.175 0.000 4.614) 5.601 4.865 ( 5.594 0.000 3.723) 6.719 4.989 ( -5.330 0.000 -13.273) 14.303 5.634 ( -4.238 0.000 5.452) 6.905 5.857 ( 6.191 0.000 6.380) 8.890 5.976 ( 6.255 0.000 -6.910) 9.320 6.076 ( 2.972 0.000 -4.252) 5.188 6.230 ( -2.740 0.000 -11.141) 11.473 6.277 ( -14.001 0.000 10.785) 17.673 6.891 ( 4.581 -0.000 -0.257) 4.588 7.058 ( 19.451 -0.000 0.542) 19.458 7.388 ( 5.674 0.000 2.148) 6.068 7.677 ( -2.484 0.000 -1.670) 2.993 7.946 ( 0.263 0.000 -1.448) 1.471 8.261 ( -3.992 0.000 -2.771) 4.859 8.565 ( 4.980 0.000 2.760) 5.694 8.710 ( 2.990 0.000 -2.131) 3.672 8.835 ( -0.677 0.000 -4.743) 4.791 9.560 ( 7.759 -0.000 -7.781) 10.988 9.620 ( 0.495 0.000 -2.844) 2.887 9.809 ( -5.185 0.000 -2.488) 5.752 10.470 ( -11.814 0.000 4.675) 12.705 10.691 ( -1.456 0.000 -1.819) 2.329 10.780 ( -1.978 -0.000 -7.699) 7.949 11.948 ( 8.270 -0.000 1.749) 8.453 12.072 ( 1.544 -0.000 19.531) 19.592 12.093 ( 5.685 0.000 -4.443) 7.215 12.583 ( 4.790 0.000 0.040) 4.790 13.922 ( -2.024 0.000 8.332) 8.575 14.028 ( -8.577 0.000 3.086) 9.115 14.139 ( 4.137 -0.000 3.315) 5.301 14.449 ( -17.907 0.000 -0.900) 17.929 15.586 ( -9.234 0.000 4.516) 10.279 15.812 ( 15.391 0.000 -11.658) 19.308 16.333 ( -2.959 -0.000 3.324) 4.450 16.764 ( -7.380 0.000 -15.692) 17.341 17.706 ( 9.513 -0.000 4.576) 10.556 17.990 ( 6.092 0.000 17.268) 18.311 19.233 ( 0.734 0.000 -9.976) 10.003 19.329 ( 1.604 0.000 -1.656) 2.306 ======================= Grid point 376 (205/230) ======================= q-point: (-0.11 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 5.457 -0.000 9.406) 10.874 2.662 ( -0.563 0.000 14.242) 14.253 2.947 ( -7.900 0.000 12.526) 14.809 3.093 ( -0.496 -0.000 -6.956) 6.974 3.134 ( -1.017 0.000 4.768) 4.875 3.465 ( 6.739 0.000 12.138) 13.883 4.188 ( 2.596 -0.000 6.117) 6.645 4.231 ( 9.125 0.000 -1.356) 9.225 4.514 ( 0.666 0.000 3.840) 3.897 4.739 ( -11.193 0.000 -9.986) 15.000 5.001 ( 5.684 0.000 2.634) 6.265 5.604 ( -2.432 0.000 6.118) 6.584 5.881 ( -12.946 0.000 -7.171) 14.800 6.023 ( 2.191 0.000 9.141) 9.400 6.097 ( 7.728 0.000 0.059) 7.728 6.157 ( 7.261 -0.000 -13.000) 14.890 6.260 ( -1.915 0.000 13.392) 13.528 6.918 ( 1.711 0.000 -6.905) 7.114 7.368 ( 12.004 -0.000 -1.342) 12.079 7.485 ( 2.940 0.000 0.946) 3.088 7.644 ( 0.479 0.000 -1.816) 1.878 7.895 ( -5.408 0.000 -1.859) 5.719 8.223 ( 3.442 0.000 -3.597) 4.979 8.701 ( 0.570 0.000 -1.925) 2.008 8.763 ( 3.555 -0.000 -5.166) 6.271 8.784 ( 5.326 0.000 -1.985) 5.684 9.393 ( -15.757 0.000 7.439) 17.425 9.651 ( 6.013 0.000 -3.969) 7.205 9.940 ( 13.670 0.000 -6.523) 15.147 10.222 ( -15.995 0.000 3.501) 16.374 10.648 ( -1.104 0.000 -3.755) 3.914 10.674 ( -3.713 -0.000 -6.994) 7.919 12.087 ( 4.861 0.000 0.431) 4.880 12.151 ( 2.594 -0.000 -2.821) 3.832 12.265 ( 4.586 0.000 16.669) 17.289 12.659 ( 2.474 0.000 0.759) 2.588 13.810 ( -5.248 0.000 1.067) 5.356 14.077 ( -13.966 -0.000 0.143) 13.967 14.084 ( 2.925 0.000 9.316) 9.764 14.301 ( 5.672 -0.000 -0.476) 5.692 15.418 ( -12.455 0.000 10.256) 16.134 15.964 ( 8.612 0.000 -15.452) 17.690 16.322 ( -0.668 -0.000 2.504) 2.592 16.523 ( -6.754 0.000 -9.714) 11.831 17.966 ( 13.412 0.000 5.357) 14.442 18.172 ( 0.146 0.000 15.973) 15.974 19.185 ( 1.890 0.000 -9.935) 10.113 19.314 ( -1.314 0.000 -4.074) 4.281 ======================= Grid point 405 (206/230) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( -6.941 0.000 -1.263) 7.055 2.428 ( 6.941 0.000 1.263) 7.055 3.096 ( -6.414 0.000 1.497) 6.586 3.096 ( 6.414 0.000 -1.497) 6.586 3.560 ( -3.719 0.000 -8.564) 9.336 3.560 ( 3.719 0.000 8.564) 9.336 4.136 ( 1.065 0.000 -10.303) 10.358 4.136 ( -1.065 0.000 10.303) 10.358 4.412 ( 3.650 0.000 -10.122) 10.760 4.412 ( -3.650 0.000 10.122) 10.760 5.418 ( 6.097 0.000 -13.731) 15.023 5.418 ( -6.097 0.000 13.731) 15.023 5.593 ( -0.478 0.000 -4.258) 4.285 5.593 ( 0.478 0.000 4.258) 4.285 6.031 ( 12.315 0.000 -5.373) 13.436 6.031 ( -12.315 0.000 5.373) 13.436 6.468 ( -2.110 0.000 -12.229) 12.410 6.468 ( 2.110 0.000 12.229) 12.410 7.550 ( -0.092 0.000 -6.296) 6.296 7.550 ( 0.092 0.000 6.296) 6.296 8.136 ( 0.518 0.000 -1.811) 1.884 8.136 ( -0.518 0.000 1.811) 1.884 8.480 ( -1.011 0.000 -0.006) 1.011 8.480 ( 1.011 0.000 0.006) 1.011 8.807 ( 1.616 0.000 -1.015) 1.908 8.807 ( -1.616 0.000 1.015) 1.908 9.613 ( 7.289 0.000 -6.998) 10.105 9.613 ( -7.289 0.000 6.998) 10.105 10.154 ( 14.934 0.000 -5.193) 15.811 10.154 ( -14.934 0.000 5.193) 15.811 10.451 ( 0.172 0.000 -2.255) 2.262 10.451 ( -0.172 0.000 2.255) 2.262 11.730 ( -0.103 0.000 -3.517) 3.519 11.730 ( 0.103 0.000 3.517) 3.519 13.156 ( 3.842 0.000 -8.420) 9.255 13.156 ( -3.842 0.000 8.420) 9.255 13.760 ( -2.026 0.000 -8.600) 8.836 13.760 ( 2.026 0.000 8.600) 8.836 14.037 ( 4.807 0.000 -2.316) 5.336 14.037 ( -4.807 0.000 2.316) 5.336 15.487 ( -15.594 0.000 1.359) 15.653 15.487 ( 15.594 0.000 -1.359) 15.653 16.311 ( -0.013 0.000 -1.748) 1.748 16.311 ( 0.013 0.000 1.748) 1.748 18.589 ( 2.546 0.000 -13.322) 13.563 18.589 ( -2.546 0.000 13.322) 13.563 19.022 ( 7.296 0.000 -7.187) 10.242 19.022 ( -7.296 0.000 7.187) 10.242 ======================= Grid point 407 (207/230) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( -0.527 0.000 -7.008) 7.028 2.589 ( 10.324 0.000 -3.728) 10.976 3.028 ( -1.173 0.000 -0.377) 1.232 3.228 ( 9.668 0.000 -10.975) 14.626 3.448 ( -3.364 0.000 1.465) 3.669 3.667 ( 0.142 0.000 10.303) 10.304 4.028 ( -3.244 0.000 -14.114) 14.482 4.103 ( -8.713 0.000 7.059) 11.214 4.400 ( 2.493 0.000 -11.034) 11.312 4.416 ( -1.506 0.000 6.293) 6.470 5.341 ( -9.613 0.000 10.206) 14.020 5.398 ( 3.611 0.000 -16.547) 16.936 5.547 ( -1.036 0.000 -5.329) 5.429 5.622 ( -0.832 0.000 4.497) 4.573 5.796 ( -14.610 0.000 3.768) 15.088 6.139 ( 5.836 0.000 -13.486) 14.695 6.487 ( 7.874 0.000 0.913) 7.927 6.664 ( 7.127 0.000 15.195) 16.784 7.355 ( -12.920 0.000 -9.674) 16.140 7.465 ( -11.217 0.000 6.048) 12.743 8.160 ( -0.282 0.000 5.023) 5.031 8.166 ( 1.478 0.000 3.431) 3.736 8.506 ( 2.946 0.000 -2.615) 3.939 8.566 ( 7.508 0.000 -2.808) 8.016 8.754 ( -2.955 0.000 -1.326) 3.239 8.774 ( -2.411 0.000 -6.287) 6.733 9.529 ( -5.838 0.000 4.446) 7.338 9.762 ( 12.477 0.000 -3.711) 13.017 9.899 ( -13.216 0.000 2.363) 13.425 10.375 ( 12.184 0.000 -6.714) 13.912 10.521 ( 3.008 0.000 7.366) 7.957 10.525 ( 6.108 0.000 5.179) 8.008 11.675 ( -3.271 0.000 -1.857) 3.761 11.713 ( -4.734 0.000 4.171) 6.309 13.114 ( -5.165 0.000 6.986) 8.688 13.132 ( 0.149 0.000 -9.211) 9.212 13.638 ( -4.353 0.000 -8.210) 9.293 13.797 ( -4.116 0.000 7.140) 8.242 14.050 ( 3.527 0.000 2.418) 4.276 14.236 ( 17.214 0.000 -1.829) 17.311 15.244 ( -13.148 0.000 7.592) 15.182 15.816 ( 16.322 0.000 6.636) 17.619 16.303 ( 0.625 0.000 -1.731) 1.840 16.328 ( 0.681 0.000 1.718) 1.849 18.460 ( -4.011 0.000 -15.633) 16.140 18.464 ( -17.090 0.000 5.435) 17.933 19.002 ( -0.663 0.000 9.044) 9.068 19.116 ( 6.618 0.000 -7.963) 10.354 ======================= Grid point 408 (208/230) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 6.265 0.000 -8.808) 10.809 2.754 ( 8.950 0.000 -4.266) 9.914 3.033 ( 2.692 0.000 -3.428) 4.359 3.236 ( 4.671 0.000 -18.912) 19.480 3.517 ( 4.530 0.000 5.792) 7.353 3.691 ( -3.679 0.000 5.811) 6.878 3.845 ( -5.347 0.000 -12.207) 13.326 3.924 ( -13.246 0.000 4.813) 14.093 4.367 ( 1.087 0.000 -8.033) 8.107 4.418 ( -2.024 0.000 2.244) 3.022 5.236 ( -7.462 0.000 11.242) 13.493 5.359 ( 5.776 0.000 -20.810) 21.597 5.487 ( -3.036 0.000 -0.288) 3.050 5.558 ( -12.283 0.000 5.167) 13.325 5.616 ( -3.206 0.000 5.269) 6.168 6.157 ( 7.159 0.000 -14.530) 16.198 6.663 ( 4.213 0.000 5.057) 6.582 6.898 ( 5.348 0.000 14.321) 15.287 7.018 ( -10.353 0.000 -12.717) 16.398 7.264 ( -12.909 0.000 6.582) 14.490 8.175 ( -1.607 0.000 3.978) 4.291 8.221 ( 0.050 0.000 6.982) 6.982 8.486 ( -1.104 0.000 -11.407) 11.460 8.601 ( -0.148 0.000 -11.393) 11.394 8.696 ( -0.216 0.000 -3.002) 3.010 8.742 ( 1.904 0.000 1.832) 2.642 9.471 ( -3.447 0.000 5.968) 6.892 9.656 ( -12.588 0.000 5.292) 13.655 10.069 ( 18.558 0.000 -2.176) 18.685 10.545 ( 8.709 0.000 -1.606) 8.856 10.634 ( 3.310 0.000 6.710) 7.481 10.699 ( 8.269 0.000 2.076) 8.526 11.593 ( -4.424 0.000 0.075) 4.425 11.615 ( -7.669 0.000 3.469) 8.417 13.061 ( -0.220 0.000 -9.835) 9.838 13.071 ( -4.064 0.000 6.198) 7.411 13.498 ( -4.144 0.000 -7.249) 8.350 13.714 ( -8.193 0.000 4.857) 9.525 14.175 ( 7.262 0.000 2.184) 7.583 14.626 ( 23.449 0.000 -1.795) 23.517 15.074 ( -11.711 0.000 11.732) 16.576 16.124 ( 6.121 0.000 6.822) 9.166 16.358 ( 7.285 0.000 5.928) 9.392 16.362 ( 1.592 0.000 2.123) 2.653 18.082 ( -21.863 0.000 -2.449) 22.000 18.256 ( -5.616 0.000 -16.360) 17.297 19.065 ( -0.016 0.000 8.946) 8.946 19.157 ( 3.535 0.000 -8.093) 8.831 ======================= Grid point 409 (209/230) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 9.906 0.000 -5.763) 11.460 2.827 ( 0.334 0.000 -2.419) 2.442 3.078 ( 5.931 0.000 -7.543) 9.595 3.252 ( 9.743 0.000 -16.664) 19.304 3.582 ( -0.643 0.000 0.285) 0.703 3.589 ( -3.753 0.000 -10.764) 11.399 3.694 ( -12.892 0.000 2.775) 13.188 3.715 ( -6.831 0.000 6.978) 9.765 4.340 ( 0.268 0.000 -3.554) 3.564 4.371 ( -2.919 0.000 0.231) 2.929 5.247 ( -0.034 0.000 12.282) 12.282 5.349 ( 7.971 0.000 -19.778) 21.324 5.429 ( -3.913 0.000 2.492) 4.640 5.436 ( -5.103 0.000 11.152) 12.264 5.572 ( -5.595 0.000 6.473) 8.556 6.183 ( 2.830 0.000 -17.437) 17.665 6.542 ( -6.711 0.000 -8.750) 11.028 6.931 ( -12.826 0.000 11.868) 17.474 7.004 ( 7.761 0.000 1.088) 7.837 7.181 ( 0.902 0.000 6.834) 6.893 8.146 ( -2.541 0.000 -0.775) 2.657 8.213 ( -4.578 0.000 -0.206) 4.583 8.400 ( 1.185 0.000 -5.672) 5.795 8.507 ( -0.710 0.000 -9.750) 9.776 8.708 ( 1.555 0.000 -0.655) 1.687 8.767 ( -0.506 0.000 0.899) 1.032 9.465 ( -2.299 0.000 5.994) 6.420 9.492 ( -7.882 0.000 5.245) 9.467 10.410 ( 16.711 0.000 0.588) 16.721 10.681 ( 5.414 0.000 1.001) 5.506 10.730 ( 2.811 0.000 3.915) 4.820 10.840 ( 5.488 0.000 -1.394) 5.663 11.493 ( -6.188 0.000 1.826) 6.452 11.512 ( -4.502 0.000 1.510) 4.748 13.003 ( 1.393 0.000 -10.208) 10.302 13.033 ( -4.506 0.000 6.266) 7.718 13.402 ( -1.180 0.000 -5.091) 5.226 13.575 ( -8.742 0.000 3.687) 9.488 14.343 ( 9.202 0.000 0.444) 9.213 14.875 ( -5.934 0.000 0.254) 5.939 15.139 ( 18.763 0.000 10.357) 21.432 16.122 ( -5.003 0.000 -1.118) 5.127 16.422 ( 3.071 0.000 2.621) 4.037 16.614 ( 5.471 0.000 16.464) 17.349 17.681 ( -14.122 0.000 -5.571) 15.181 18.028 ( -6.550 0.000 -16.579) 17.826 19.110 ( -1.142 0.000 7.642) 7.726 19.154 ( 1.943 0.000 -7.334) 7.587 ======================= Grid point 410 (210/230) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 9.184 0.000 -0.401) 9.193 2.755 ( -5.486 0.000 -2.253) 5.930 3.170 ( 9.685 0.000 -8.469) 12.866 3.295 ( -2.138 0.000 -2.320) 3.155 3.480 ( -0.095 0.000 -7.895) 7.896 3.497 ( -6.157 0.000 1.584) 6.357 3.565 ( 2.902 0.000 -6.336) 6.968 3.632 ( -8.712 0.000 11.522) 14.445 4.329 ( 0.100 0.000 -0.672) 0.679 4.336 ( -0.845 0.000 -0.107) 0.852 5.320 ( 1.227 0.000 3.661) 3.861 5.371 ( -2.978 0.000 0.108) 2.980 5.400 ( 9.100 0.000 -13.864) 16.584 5.492 ( -7.920 0.000 8.691) 11.758 5.575 ( 7.050 0.000 22.578) 23.653 5.923 ( -11.347 0.000 -22.474) 25.176 6.553 ( 11.079 0.000 -10.390) 15.188 6.730 ( -14.538 0.000 11.480) 18.524 7.155 ( 5.739 0.000 2.250) 6.165 7.226 ( -1.227 0.000 2.303) 2.609 8.092 ( -0.809 0.000 -2.551) 2.676 8.111 ( -3.118 0.000 -2.195) 3.813 8.424 ( 0.876 0.000 2.669) 2.809 8.455 ( 0.344 0.000 -5.701) 5.711 8.730 ( 1.492 0.000 -1.417) 2.057 8.750 ( -1.711 0.000 1.576) 2.327 9.431 ( -1.663 0.000 3.008) 3.437 9.447 ( -2.098 0.000 1.688) 2.693 10.682 ( 9.255 0.000 3.074) 9.752 10.754 ( 1.688 0.000 -0.713) 1.832 10.794 ( 2.984 0.000 -0.143) 2.987 10.866 ( -2.277 0.000 -0.760) 2.401 11.427 ( -0.870 0.000 -0.449) 0.978 11.447 ( -3.283 0.000 1.850) 3.769 12.978 ( 2.954 0.000 -9.274) 9.733 12.991 ( -4.244 0.000 7.301) 8.445 13.388 ( 2.479 0.000 -3.174) 4.027 13.451 ( -6.220 0.000 3.038) 6.922 14.528 ( 10.460 0.000 -1.776) 10.610 14.714 ( -10.626 0.000 3.297) 11.126 15.588 ( 20.270 0.000 5.315) 20.955 15.941 ( -12.875 0.000 -3.046) 13.231 16.523 ( 6.082 0.000 1.773) 6.335 16.661 ( -7.656 0.000 5.641) 9.509 17.583 ( 3.567 0.000 6.199) 7.152 17.784 ( -7.490 0.000 -14.882) 16.661 19.130 ( -1.733 0.000 6.657) 6.879 19.141 ( 1.708 0.000 -6.596) 6.814 ======================= Grid point 415 (211/230) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( -4.506 1.449 -8.169) 9.441 2.441 ( 4.506 1.449 8.169) 9.441 3.142 ( 0.224 4.148 -4.187) 5.898 3.142 ( -0.224 4.148 4.187) 5.898 3.500 ( -2.685 -5.436 -12.417) 13.818 3.500 ( 2.685 -5.436 12.417) 13.818 4.130 ( 1.781 0.124 -9.947) 10.106 4.130 ( -1.781 0.124 9.947) 10.106 4.465 ( 3.686 4.170 -8.921) 10.515 4.465 ( -3.686 4.170 8.921) 10.515 5.452 ( 2.154 2.657 -8.451) 9.117 5.452 ( -2.154 2.657 8.451) 9.117 5.610 ( 1.924 2.262 -9.700) 10.144 5.610 ( -1.924 2.262 9.700) 10.144 6.014 ( 0.979 -0.816 -8.012) 8.113 6.014 ( -0.979 -0.816 8.012) 8.113 6.502 ( -3.545 2.971 -12.493) 13.322 6.502 ( 3.545 2.971 12.493) 13.322 7.539 ( -0.775 -1.090 -6.038) 6.184 7.539 ( 0.775 -1.090 6.038) 6.184 8.099 ( -1.244 -4.106 -2.458) 4.944 8.099 ( 1.244 -4.106 2.458) 4.944 8.463 ( -1.496 -1.688 -2.695) 3.514 8.463 ( 1.496 -1.688 2.695) 3.514 8.802 ( -0.098 -0.295 -0.434) 0.534 8.802 ( 0.098 -0.295 0.434) 0.534 9.598 ( 6.787 -1.422 -8.267) 10.790 9.598 ( -6.787 -1.422 8.267) 10.790 10.111 ( -2.471 -3.347 -3.577) 5.486 10.111 ( 2.471 -3.347 3.577) 5.486 10.502 ( -1.494 3.930 -4.105) 5.876 10.502 ( 1.494 3.930 4.105) 5.876 11.774 ( 0.071 4.606 -3.397) 5.723 11.774 ( -0.071 4.606 3.397) 5.723 13.060 ( 3.296 -8.698 -6.765) 11.502 13.060 ( -3.296 -8.698 6.765) 11.502 13.819 ( -1.575 4.029 -6.690) 7.966 13.819 ( 1.575 4.029 6.690) 7.966 14.063 ( 1.127 3.438 -3.174) 4.813 14.063 ( -1.127 3.438 3.174) 4.813 15.495 ( -7.546 0.910 -2.386) 7.967 15.495 ( 7.546 0.910 2.386) 7.967 16.320 ( 0.025 0.964 -1.843) 2.079 16.320 ( -0.025 0.964 1.843) 2.079 18.541 ( 1.260 -4.613 -10.403) 11.449 18.541 ( -1.260 -4.613 10.403) 11.449 19.046 ( 7.327 2.212 -5.249) 9.280 19.046 ( -7.327 2.212 5.249) 9.280 ======================= Grid point 417 (212/230) ======================= q-point: ( 0.11 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( -0.301 -0.414 -10.280) 10.293 2.622 ( 9.106 3.001 1.244) 9.668 3.076 ( -0.925 4.709 -2.645) 5.480 3.265 ( 9.400 2.985 -9.008) 13.357 3.358 ( -4.335 -7.697 -3.166) 9.383 3.618 ( -0.395 -4.861 12.432) 13.354 4.039 ( -2.980 1.229 -12.301) 12.717 4.119 ( -4.283 1.671 3.984) 6.083 4.428 ( -2.385 3.633 0.392) 4.364 4.488 ( 1.354 5.218 -2.173) 5.812 5.309 ( -8.633 -5.388 -0.195) 10.178 5.443 ( -3.660 5.700 -0.092) 6.775 5.559 ( -0.216 3.899 -9.738) 10.492 5.642 ( -0.565 2.213 3.614) 4.275 5.860 ( -7.815 5.613 1.285) 9.707 6.160 ( 7.060 1.182 -8.382) 11.022 6.444 ( 4.690 -2.864 -1.429) 5.678 6.697 ( 6.714 2.438 13.152) 14.967 7.345 ( -12.383 -0.930 -9.007) 15.341 7.466 ( -10.673 0.147 5.268) 11.903 8.092 ( 0.049 -5.736 2.532) 6.270 8.167 ( 1.675 -1.336 6.150) 6.513 8.463 ( 3.011 -4.738 -2.969) 6.350 8.567 ( 7.035 0.076 -1.229) 7.142 8.727 ( -4.503 -1.381 -2.855) 5.507 8.788 ( -1.313 0.671 -4.583) 4.815 9.525 ( -6.069 -0.388 5.376) 8.117 9.716 ( 9.384 -4.232 -3.643) 10.920 9.872 ( -10.629 -2.193 1.543) 10.962 10.361 ( 13.767 -1.845 -3.215) 14.257 10.508 ( 2.577 2.116 2.198) 3.994 10.603 ( 4.634 3.743 6.070) 8.505 11.718 ( -3.851 4.462 -0.988) 5.976 11.758 ( -4.180 4.638 3.164) 7.000 13.011 ( -5.425 -9.425 5.368) 12.127 13.033 ( -0.938 -8.715 -7.246) 11.373 13.731 ( -2.286 7.453 -7.905) 11.103 13.854 ( -2.734 4.794 5.135) 7.539 14.086 ( 1.786 3.894 2.984) 5.220 14.221 ( 16.395 -1.387 -2.316) 16.615 15.276 ( -12.174 3.337 8.052) 14.973 15.797 ( 15.021 -1.860 5.506) 16.106 16.313 ( 0.668 1.010 -1.929) 2.277 16.341 ( 0.969 1.202 2.234) 2.715 18.320 ( -13.544 -7.932 -3.599) 16.103 18.546 ( -4.545 2.004 -8.641) 9.967 18.997 ( -1.607 -0.240 8.611) 8.763 19.141 ( 5.390 2.343 -5.034) 7.738 ======================= Grid point 418 (213/230) ======================= q-point: ( 0.22 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 6.685 -1.490 -10.618) 12.636 2.776 ( 5.609 1.470 -0.311) 5.807 3.060 ( 2.734 2.996 -8.058) 9.021 3.252 ( 3.160 0.070 -12.316) 12.715 3.414 ( 5.591 -6.307 -2.987) 8.942 3.641 ( -5.066 -5.672 10.058) 12.610 3.873 ( -4.776 3.291 -12.542) 13.818 4.032 ( -7.242 7.758 4.096) 11.376 4.380 ( -1.750 2.524 -2.130) 3.738 4.476 ( -1.459 5.045 -1.964) 5.607 5.186 ( -5.055 -8.498 4.642) 10.924 5.354 ( -5.128 3.324 2.568) 6.628 5.476 ( 0.152 5.938 -11.774) 13.187 5.639 ( -2.122 2.595 3.139) 4.592 5.731 ( -6.740 10.286 1.477) 12.386 6.193 ( 6.726 3.543 -14.412) 16.294 6.598 ( 4.469 -6.555 6.906) 10.518 6.901 ( 3.863 0.125 11.607) 12.234 7.022 ( -10.221 0.310 -11.768) 15.590 7.268 ( -12.676 0.423 5.889) 13.984 8.115 ( -0.498 -5.566 4.176) 6.976 8.221 ( -0.773 -0.537 6.243) 6.314 8.488 ( 1.496 -1.487 -7.593) 7.881 8.584 ( -2.086 -2.373 -6.954) 7.638 8.656 ( 1.224 -1.356 -8.122) 8.324 8.761 ( 0.992 1.148 1.325) 2.014 9.457 ( -4.611 -1.315 6.303) 7.919 9.623 ( -11.968 -3.029 5.879) 13.674 10.014 ( 17.352 -4.741 -2.806) 18.206 10.575 ( 9.611 0.235 -1.321) 9.705 10.602 ( 3.826 0.164 5.308) 6.545 10.740 ( 6.216 2.224 2.619) 7.102 11.623 ( -5.925 3.698 1.093) 7.070 11.672 ( -5.851 5.399 2.016) 8.212 12.939 ( -4.466 -11.445 0.588) 12.300 12.950 ( -2.784 -9.520 -4.029) 10.706 13.623 ( -2.523 10.600 -8.498) 13.818 13.807 ( -5.902 7.598 5.042) 10.862 14.174 ( 6.044 -0.060 1.871) 6.327 14.602 ( 23.223 -2.442 -2.014) 23.437 15.121 ( -11.384 4.889 11.763) 17.084 16.070 ( 5.881 -5.277 6.131) 10.001 16.338 ( 3.395 0.166 -0.187) 3.404 16.415 ( 5.085 3.040 7.424) 9.498 17.991 ( -17.205 -6.676 -4.791) 19.066 18.321 ( -8.514 3.992 -15.014) 17.716 19.058 ( 0.670 -0.679 8.232) 8.287 19.180 ( 2.437 2.250 -5.184) 6.154 ======================= Grid point 419 (214/230) ======================= q-point: ( 0.33 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 10.390 -1.686 -6.689) 12.471 2.807 ( -1.728 -2.216 -0.607) 2.875 3.070 ( 5.547 -0.023 -11.880) 13.111 3.288 ( 4.741 0.997 -5.658) 7.449 3.441 ( 2.804 -4.731 -8.906) 10.467 3.575 ( -4.449 -4.978 0.211) 6.680 3.707 ( -5.570 4.645 -7.304) 10.293 3.912 ( -9.318 11.715 7.441) 16.717 4.343 ( -0.988 1.094 -0.641) 1.607 4.416 ( -2.428 4.223 -2.409) 5.434 5.186 ( 0.494 -6.896 7.561) 10.245 5.338 ( 1.091 1.683 6.193) 6.510 5.438 ( 2.672 6.938 -7.102) 10.282 5.596 ( -4.247 6.405 0.347) 7.693 5.622 ( -5.943 7.060 4.765) 10.386 6.207 ( 1.768 2.574 -17.519) 17.795 6.528 ( -5.904 -1.766 -5.186) 8.054 6.925 ( -6.436 -1.051 9.460) 11.490 6.962 ( 1.052 -3.229 1.985) 3.934 7.164 ( -0.297 -1.734 4.514) 4.845 8.116 ( -1.065 -3.028 0.320) 3.225 8.205 ( -3.677 -0.963 1.471) 4.076 8.431 ( 0.684 2.597 -6.342) 6.887 8.534 ( 0.521 2.322 -8.812) 9.128 8.634 ( 1.177 -6.509 -1.540) 6.791 8.779 ( -0.815 0.870 0.555) 1.315 9.419 ( -4.769 -4.043 6.468) 8.996 9.481 ( -6.181 -1.560 5.533) 8.441 10.339 ( 16.525 -6.103 0.181) 17.616 10.703 ( 4.078 -0.856 0.776) 4.238 10.709 ( 3.696 0.490 4.237) 5.644 10.852 ( 4.039 0.448 -1.005) 4.186 11.522 ( -4.553 4.042 0.640) 6.122 11.580 ( -4.961 5.886 1.770) 7.898 12.854 ( -1.984 -12.472 -5.474) 13.764 12.878 ( -4.299 -12.465 1.846) 13.314 13.545 ( 0.309 11.529 -7.136) 13.562 13.708 ( -7.397 10.581 4.857) 13.793 14.336 ( 9.710 -0.702 0.325) 9.741 14.905 ( -2.328 2.695 -2.485) 4.342 15.121 ( 14.203 -1.352 12.489) 18.961 16.073 ( -5.589 -5.206 -0.206) 7.641 16.422 ( 4.836 0.377 0.925) 4.938 16.626 ( 4.711 1.183 15.264) 16.018 17.657 ( -11.659 -2.031 -4.944) 12.826 18.052 ( -8.203 1.834 -16.573) 18.582 19.113 ( -0.155 0.228 6.350) 6.356 19.176 ( 0.944 2.177 -4.738) 5.299 ======================= Grid point 420 (215/230) ======================= q-point: ( 0.44 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 9.351 -1.763 -1.292) 9.603 2.728 ( -5.582 -2.474 -0.998) 6.187 3.127 ( 9.101 -3.133 -11.725) 15.169 3.245 ( -8.923 -5.132 7.702) 12.856 3.450 ( 4.749 -1.263 -11.312) 12.333 3.513 ( -5.977 1.488 2.328) 6.585 3.627 ( 7.995 5.831 -8.976) 13.360 3.772 ( -11.417 10.893 9.678) 18.512 4.340 ( 0.502 1.557 0.916) 1.875 4.367 ( -1.346 2.942 -1.666) 3.639 5.284 ( 4.377 -2.343 5.856) 7.677 5.404 ( -3.897 2.566 -0.555) 4.698 5.457 ( 7.534 5.777 -8.729) 12.896 5.541 ( -4.833 4.852 4.120) 7.992 5.618 ( 3.325 4.383 19.171) 19.945 5.932 ( -11.735 0.910 -20.997) 24.071 6.564 ( 11.243 1.062 -9.527) 14.775 6.744 ( -14.193 1.373 10.988) 18.002 7.089 ( 5.275 -6.200 3.392) 8.818 7.175 ( -1.818 -5.114 -0.312) 5.436 8.100 ( 0.513 0.642 -0.932) 1.242 8.135 ( -2.838 1.355 -1.219) 3.373 8.441 ( 1.238 1.498 1.468) 2.436 8.482 ( -0.220 2.543 -6.403) 6.893 8.673 ( 2.718 -4.877 1.063) 5.684 8.738 ( -3.051 -1.069 -0.561) 3.281 9.391 ( -0.742 -3.755 3.288) 5.046 9.426 ( -3.160 -2.459 1.779) 4.381 10.615 ( 10.711 -5.651 1.918) 12.261 10.738 ( -0.800 -2.409 -1.539) 2.969 10.793 ( 2.998 -0.003 1.923) 3.562 10.858 ( -2.545 -0.935 -0.436) 2.746 11.479 ( 0.464 5.439 -1.408) 5.637 11.510 ( -3.652 5.877 2.134) 7.241 12.805 ( 0.636 -13.802 -4.725) 14.603 12.818 ( -3.362 -13.843 3.101) 14.579 13.542 ( 3.913 11.936 -5.915) 13.884 13.606 ( -6.486 11.830 5.225) 14.468 14.537 ( 11.448 1.007 -1.563) 11.598 14.742 ( -11.333 2.958 2.780) 12.037 15.541 ( 19.432 -4.560 5.059) 20.591 15.885 ( -13.136 -5.546 -2.569) 14.488 16.541 ( 7.244 1.820 0.199) 7.472 16.676 ( -7.046 1.473 6.379) 9.618 17.582 ( 3.626 -0.087 6.268) 7.242 17.787 ( -8.104 0.156 -14.748) 16.829 19.141 ( -0.647 1.159 4.824) 5.004 19.159 ( 0.649 1.850 -4.331) 4.754 ======================= Grid point 425 (216/230) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( -5.122 3.454 -12.009) 13.505 2.487 ( 5.122 3.454 12.009) 13.505 3.185 ( 0.201 -2.202 -3.214) 3.901 3.185 ( -0.201 -2.202 3.214) 3.901 3.425 ( 0.921 -0.124 -20.362) 20.383 3.425 ( -0.921 -0.124 20.362) 20.383 4.163 ( 4.601 3.551 -8.973) 10.691 4.163 ( -4.601 3.551 8.973) 10.691 4.522 ( 0.737 1.222 -5.896) 6.066 4.522 ( -0.737 1.222 5.896) 6.066 5.464 ( -11.449 -1.809 -5.255) 12.727 5.464 ( 11.449 -1.809 5.255) 12.727 5.697 ( 5.538 6.245 -15.763) 17.837 5.697 ( -5.538 6.245 15.763) 17.837 6.046 ( 4.675 4.947 -8.840) 11.156 6.046 ( -4.675 4.947 8.840) 11.156 6.557 ( -3.497 2.487 -13.163) 13.845 6.557 ( 3.497 2.487 13.163) 13.845 7.514 ( -2.225 -1.244 -5.352) 5.928 7.514 ( 2.225 -1.244 5.352) 5.928 7.976 ( -3.313 -8.740 -2.708) 9.731 7.976 ( 3.313 -8.740 2.708) 9.731 8.423 ( -4.523 -2.331 -4.729) 6.946 8.423 ( 4.523 -2.331 4.729) 6.946 8.802 ( -2.408 0.239 0.157) 2.425 8.802 ( 2.408 0.239 -0.157) 2.425 9.569 ( 5.702 -1.338 -10.741) 12.234 9.569 ( -5.702 -1.338 10.741) 12.234 10.062 ( -1.282 -1.453 -4.559) 4.954 10.062 ( 1.282 -1.453 4.559) 4.954 10.556 ( -1.231 1.222 -4.346) 4.680 10.556 ( 1.231 1.222 4.346) 4.680 11.896 ( 0.382 7.921 -2.792) 8.408 11.896 ( -0.382 7.921 2.792) 8.408 12.875 ( 2.450 -10.042 -4.091) 11.116 12.875 ( -2.450 -10.042 4.091) 11.116 13.854 ( -5.139 -0.088 -1.495) 5.353 13.854 ( 5.139 -0.088 1.495) 5.353 14.173 ( -0.330 7.109 -6.449) 9.604 14.173 ( 0.330 7.109 6.449) 9.604 15.524 ( 1.622 2.069 -8.961) 9.339 15.524 ( -1.622 2.069 8.961) 9.339 16.343 ( 0.187 1.279 -2.051) 2.424 16.343 ( -0.187 1.279 2.051) 2.424 18.437 ( -2.299 -5.806 -5.370) 8.236 18.437 ( 2.299 -5.806 5.370) 8.236 19.091 ( -0.820 2.279 -1.315) 2.757 19.091 ( 0.820 2.279 1.315) 2.757 ======================= Grid point 427 (217/230) ======================= q-point: ( 0.11 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( -0.810 2.255 -13.123) 13.340 2.688 ( 7.241 3.857 6.162) 10.260 3.155 ( -0.722 -3.750 -2.766) 4.715 3.183 ( -1.674 -2.477 0.549) 3.040 3.343 ( 6.601 2.607 -20.865) 22.039 3.526 ( -1.712 -3.076 13.618) 14.066 4.058 ( -6.666 1.110 0.572) 6.782 4.193 ( 1.531 5.985 -6.632) 9.064 4.487 ( -1.553 1.495 1.830) 2.828 4.579 ( 2.140 3.836 1.630) 4.685 5.183 ( -12.331 -5.928 -4.468) 14.393 5.589 ( -2.576 7.979 3.176) 8.966 5.681 ( 1.217 7.051 -7.641) 10.468 5.711 ( -0.654 5.271 3.951) 6.620 5.985 ( -3.584 7.171 0.244) 8.020 6.147 ( 8.439 -2.115 -1.045) 8.762 6.430 ( -0.142 1.798 -11.324) 11.467 6.730 ( 5.248 0.913 11.779) 12.927 7.331 ( -10.860 -0.212 -7.805) 13.375 7.470 ( -9.120 0.263 3.970) 9.950 7.946 ( -0.177 -9.530 2.041) 9.748 8.108 ( 5.401 -5.431 6.714) 10.186 8.335 ( -0.914 -7.699 -4.187) 8.811 8.568 ( 6.670 -0.008 2.000) 6.963 8.717 ( -5.556 0.208 -1.201) 5.688 8.794 ( -1.228 -0.165 -3.407) 3.625 9.518 ( -6.299 -0.152 7.284) 9.631 9.640 ( 7.206 -3.066 -6.821) 10.385 9.835 ( -9.344 -1.403 2.225) 9.707 10.330 ( 14.502 -0.992 -2.387) 14.730 10.550 ( 2.230 1.307 0.453) 2.624 10.642 ( 3.591 0.117 5.315) 6.416 11.837 ( -4.807 7.830 0.411) 9.197 11.879 ( -3.404 7.700 1.408) 8.535 12.808 ( -5.367 -11.071 1.041) 12.347 12.855 ( -2.224 -9.346 -3.186) 10.121 13.822 ( 2.732 1.626 -1.774) 3.641 13.975 ( 0.334 7.275 -1.531) 7.442 14.173 ( 4.372 2.939 -0.162) 5.271 14.205 ( 6.152 1.587 -1.238) 6.473 15.368 ( -9.384 6.250 8.556) 14.154 15.753 ( 11.443 -2.691 3.396) 12.236 16.338 ( 0.868 1.441 -2.250) 2.810 16.367 ( 1.401 1.401 3.136) 3.709 18.179 ( -14.167 -6.603 -2.999) 15.915 18.539 ( 1.923 -2.288 -11.561) 11.941 19.000 ( -4.065 0.540 7.943) 8.939 19.192 ( 4.077 2.733 -0.983) 5.006 ======================= Grid point 428 (218/230) ======================= q-point: ( 0.22 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 6.383 0.853 -12.584) 14.136 2.790 ( -0.486 -0.099 2.976) 3.018 3.126 ( 1.017 2.220 -9.455) 9.765 3.186 ( 4.144 -4.278 -1.351) 6.108 3.370 ( 7.824 -0.271 -14.736) 16.686 3.531 ( -3.402 -4.793 3.230) 6.707 3.930 ( -5.916 2.769 -2.084) 6.857 4.154 ( -2.271 4.503 -1.357) 5.222 4.447 ( -4.422 3.221 1.830) 5.769 4.610 ( 0.010 9.284 -2.180) 9.537 5.002 ( -4.526 -8.835 3.231) 10.440 5.488 ( -8.083 9.199 4.579) 13.074 5.635 ( -0.232 9.295 -6.670) 11.443 5.717 ( 0.149 5.689 -0.096) 5.692 5.907 ( -4.318 8.036 -2.167) 9.376 6.273 ( 7.243 3.306 -10.762) 13.387 6.442 ( 2.992 -7.952 4.284) 9.516 6.891 ( 2.889 -1.390 9.740) 10.254 7.036 ( -11.526 1.557 -10.725) 15.821 7.285 ( -11.504 1.692 3.897) 12.264 7.974 ( 0.537 -9.167 4.432) 10.196 8.201 ( -1.000 -1.517 4.483) 4.838 8.346 ( 4.565 -11.906 -1.537) 12.843 8.578 ( -3.920 1.361 -5.879) 7.196 8.656 ( 1.549 0.461 -6.690) 6.883 8.780 ( 1.778 0.525 0.690) 1.978 9.430 ( -7.356 -1.164 6.848) 10.117 9.570 ( -10.605 -1.850 5.340) 12.017 9.924 ( 15.305 -4.282 -3.905) 16.365 10.549 ( 8.199 -0.975 1.250) 8.351 10.631 ( 4.352 0.629 2.466) 5.041 10.752 ( 4.965 -1.183 2.228) 5.569 11.732 ( -6.109 7.462 0.905) 9.686 11.801 ( -5.089 7.734 1.147) 9.329 12.701 ( -5.176 -12.580 -2.062) 13.758 12.766 ( -4.752 -9.356 -2.159) 10.713 13.835 ( -0.538 10.853 -8.636) 13.880 13.939 ( -1.170 5.808 3.758) 7.016 14.174 ( 1.941 0.076 1.082) 2.223 14.543 ( 22.712 -3.443 -2.219) 23.078 15.250 ( -10.798 8.380 11.554) 17.898 15.944 ( 4.274 -7.609 3.249) 9.313 16.357 ( 3.154 1.441 -2.035) 4.020 16.467 ( 5.292 2.394 8.880) 10.611 17.879 ( -13.822 -4.841 -4.902) 15.444 18.365 ( -7.823 0.592 -16.738) 18.486 19.044 ( 0.960 -0.681 8.908) 8.985 19.233 ( 1.213 3.054 -1.455) 3.594 ======================= Grid point 429 (219/230) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 10.620 -0.308 -8.546) 13.635 2.753 ( -4.015 -3.070 2.118) 5.480 3.079 ( 3.232 0.620 -14.542) 14.910 3.224 ( -4.171 -5.299 5.921) 8.974 3.432 ( 4.975 -0.226 -14.333) 15.174 3.509 ( 7.903 -0.937 -6.465) 10.253 3.787 ( -8.017 3.794 -3.008) 9.366 4.090 ( -5.790 6.412 4.394) 9.692 4.380 ( -2.450 2.281 1.591) 3.706 4.538 ( -4.001 8.612 -4.007) 10.306 5.055 ( 4.382 -5.832 8.817) 11.444 5.425 ( -2.198 6.703 8.930) 11.380 5.605 ( 0.828 9.795 -3.790) 10.536 5.716 ( -0.173 7.238 -0.600) 7.265 5.778 ( -6.580 7.628 -4.131) 10.888 6.277 ( -3.412 4.476 -15.179) 16.189 6.455 ( -0.618 -6.347 3.530) 7.289 6.876 ( 2.716 -2.273 -4.432) 5.673 6.925 ( -7.594 -2.132 8.516) 11.607 7.138 ( -4.671 0.368 1.271) 4.855 8.020 ( 1.461 -7.450 3.245) 8.257 8.169 ( -2.830 -3.600 0.704) 4.633 8.433 ( 3.994 -6.108 -2.414) 7.687 8.510 ( -0.086 0.031 -0.243) 0.260 8.605 ( 0.752 2.992 -10.623) 11.062 8.810 ( -0.186 2.451 -0.360) 2.485 9.336 ( -7.065 -4.059 7.483) 11.063 9.437 ( -6.812 -2.780 5.441) 9.151 10.221 ( 16.092 -5.741 -0.485) 17.092 10.671 ( 3.908 -1.365 0.951) 4.248 10.717 ( 2.250 -0.595 3.948) 4.583 10.835 ( 2.082 -2.332 -0.027) 3.127 11.640 ( -3.066 7.844 -0.721) 8.453 11.713 ( -4.829 7.589 1.348) 9.096 12.595 ( -3.486 -13.516 -3.595) 14.414 12.656 ( -5.314 -10.569 -0.894) 11.864 13.764 ( 0.175 10.739 -7.409) 13.048 13.896 ( -5.880 8.392 4.310) 11.117 14.322 ( 11.690 -0.541 -0.056) 11.703 14.935 ( 14.440 -0.688 -7.260) 16.177 15.134 ( -4.979 3.843 16.296) 17.467 15.937 ( -5.483 -8.522 -0.161) 10.135 16.441 ( 6.753 1.490 -1.452) 7.066 16.653 ( 3.769 1.495 13.582) 14.174 17.622 ( -8.363 -1.407 -3.597) 9.212 18.075 ( -9.759 0.283 -16.951) 19.561 19.118 ( 0.985 0.238 6.431) 6.510 19.228 ( -0.210 3.060 -2.083) 3.708 ======================= Grid point 430 (220/230) ======================= q-point: ( 0.44 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 9.587 -1.217 -4.003) 10.460 2.678 ( -5.712 -2.479 2.374) 6.664 3.075 ( 6.510 -2.302 -13.234) 14.927 3.144 ( -8.408 -5.033 10.141) 14.102 3.422 ( 6.128 -1.634 -11.476) 13.112 3.538 ( -9.545 0.976 2.531) 9.923 3.755 ( 13.347 6.502 -7.855) 16.796 3.963 ( -11.782 8.374 6.683) 15.925 4.386 ( 1.279 3.060 2.352) 4.066 4.446 ( -2.912 5.146 -2.888) 6.580 5.254 ( 9.871 -0.710 7.368) 12.338 5.461 ( -5.461 3.707 2.232) 6.968 5.598 ( 1.184 8.069 4.276) 9.209 5.657 ( 1.348 6.503 -9.488) 11.582 5.732 ( 0.115 7.462 9.224) 11.865 5.958 ( -13.479 2.053 -13.416) 19.128 6.577 ( 11.280 -0.688 -5.806) 12.705 6.765 ( -12.452 -0.515 7.403) 14.496 6.970 ( 4.750 -4.378 3.200) 7.208 7.071 ( -3.205 -3.868 -2.963) 5.832 8.073 ( 2.509 -4.763 1.014) 5.478 8.123 ( -2.501 -3.540 0.539) 4.368 8.459 ( 2.004 -0.397 -2.190) 2.995 8.499 ( -1.526 -1.736 -3.019) 3.802 8.631 ( 5.528 2.956 0.733) 6.312 8.750 ( -4.868 3.131 -1.976) 6.116 9.302 ( -0.288 -5.331 4.009) 6.676 9.357 ( -4.512 -4.578 1.836) 6.685 10.500 ( 12.106 -5.940 1.318) 13.549 10.673 ( -4.002 -4.031 -2.033) 6.033 10.786 ( 2.141 -0.782 3.211) 3.938 10.832 ( -1.547 -1.725 -0.159) 2.322 11.612 ( 0.971 7.928 -2.012) 8.237 11.643 ( -3.414 7.559 1.791) 8.485 12.537 ( 0.106 -13.315 -2.778) 13.603 12.565 ( -3.790 -12.139 0.800) 12.742 13.755 ( 3.485 9.710 -5.842) 11.855 13.810 ( -5.777 8.852 4.839) 11.625 14.570 ( 14.011 2.567 -1.342) 14.307 14.822 ( -12.903 5.197 1.732) 14.018 15.437 ( 17.372 -5.940 5.028) 19.036 15.753 ( -12.577 -7.674 -2.241) 14.903 16.582 ( 8.713 2.238 -2.041) 9.225 16.708 ( -5.968 1.706 7.348) 9.619 17.579 ( 3.503 -0.217 6.186) 7.112 17.785 ( -8.905 -0.507 -14.350) 16.896 19.168 ( 0.594 1.500 4.340) 4.630 19.203 ( -0.538 2.527 -2.934) 3.909 ======================= Grid point 435 (221/230) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( -6.061 4.237 -11.820) 13.943 2.565 ( 6.061 4.237 11.820) 13.943 3.078 ( -1.506 -6.616 -7.260) 9.937 3.078 ( 1.506 -6.616 7.260) 9.937 3.474 ( 3.074 3.129 -19.858) 20.337 3.474 ( -3.074 3.129 19.858) 20.337 4.263 ( 10.096 6.685 -5.826) 13.437 4.263 ( -10.096 6.685 5.826) 13.437 4.504 ( -4.167 -3.088 -4.960) 7.176 4.504 ( 4.167 -3.088 4.960) 7.176 5.410 ( -11.690 -2.966 -10.777) 16.174 5.410 ( 11.690 -2.966 10.777) 16.174 5.799 ( 3.848 3.848 -13.626) 14.672 5.799 ( -3.848 3.848 13.626) 14.672 6.178 ( 3.226 7.114 -4.339) 8.935 6.178 ( -3.226 7.114 4.339) 8.935 6.600 ( -1.293 2.341 -14.373) 14.620 6.600 ( 1.293 2.341 14.373) 14.620 7.501 ( -2.493 0.025 -4.409) 5.065 7.501 ( 2.493 0.025 4.409) 5.065 7.790 ( -3.425 -9.835 -3.059) 10.854 7.790 ( 3.425 -9.835 3.059) 10.854 8.385 ( -7.531 -1.510 -5.444) 9.415 8.385 ( 7.531 -1.510 5.444) 9.415 8.806 ( -1.444 0.121 -0.490) 1.530 8.806 ( 1.444 0.121 0.490) 1.530 9.554 ( 4.142 -0.213 -12.419) 13.093 9.554 ( -4.142 -0.213 12.419) 13.093 10.055 ( 4.255 0.453 -5.154) 6.699 10.055 ( -4.255 0.453 5.154) 6.699 10.550 ( -0.794 -1.304 -2.996) 3.363 10.550 ( 0.794 -1.304 2.996) 3.363 12.051 ( 0.740 7.517 -1.454) 7.692 12.051 ( -0.740 7.517 1.454) 7.692 12.701 ( 0.029 -7.779 -4.464) 8.969 12.701 ( -0.029 -7.779 4.464) 8.969 13.841 ( -6.243 -0.873 -1.007) 6.383 13.841 ( 6.243 -0.873 1.007) 6.383 14.290 ( 1.388 4.513 -6.662) 8.166 14.290 ( -1.388 4.513 6.662) 8.166 15.566 ( 4.313 2.115 -14.062) 14.860 15.566 ( -4.313 2.115 14.062) 14.860 16.364 ( 0.473 0.847 -2.256) 2.456 16.364 ( -0.473 0.847 2.256) 2.456 18.341 ( -7.908 -3.908 -0.813) 8.858 18.341 ( 7.908 -3.908 0.813) 8.858 19.126 ( -6.035 1.293 -0.718) 6.213 19.126 ( 6.035 1.293 0.718) 6.213 ======================= Grid point 437 (222/230) ======================= q-point: ( 0.11 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( -2.024 3.697 -12.774) 13.451 2.762 ( 4.464 3.553 8.110) 9.916 3.003 ( 1.471 -6.778 -6.795) 9.710 3.153 ( 1.569 -4.349 3.983) 6.102 3.392 ( 4.014 2.626 -23.058) 23.552 3.523 ( -3.175 1.414 10.154) 10.732 4.101 ( -9.313 3.638 5.328) 11.330 4.288 ( -2.840 1.615 -8.292) 8.912 4.495 ( 3.331 1.140 1.687) 3.904 4.622 ( 4.811 0.505 5.304) 7.179 5.125 ( -10.557 -0.218 -8.842) 13.772 5.669 ( 5.573 -0.307 9.603) 11.107 5.770 ( -0.333 3.056 -1.857) 3.592 5.837 ( 1.012 5.890 2.136) 6.346 6.093 ( -4.455 3.776 1.235) 5.969 6.154 ( -1.493 3.132 -7.224) 8.014 6.500 ( 1.745 4.946 -15.624) 16.481 6.736 ( 3.242 -0.017 11.381) 11.833 7.347 ( -9.202 1.874 -5.567) 10.917 7.482 ( -5.916 1.356 1.811) 6.334 7.751 ( -0.128 -10.267 1.611) 10.393 7.955 ( 8.911 -9.458 4.154) 13.642 8.223 ( -5.861 -3.604 -2.492) 7.318 8.568 ( 6.865 0.048 5.522) 8.811 8.728 ( -5.821 0.854 0.073) 5.883 8.778 ( -3.409 -1.425 -0.625) 3.747 9.528 ( -5.351 1.096 6.437) 8.442 9.601 ( 8.137 -1.315 -9.830) 12.828 9.826 ( -11.148 0.335 3.969) 11.838 10.327 ( 15.646 0.452 -4.667) 16.333 10.553 ( 1.592 -0.469 1.921) 2.539 10.613 ( 2.472 -2.618 4.863) 6.051 11.992 ( -5.578 7.595 1.618) 9.561 12.025 ( -3.384 6.957 0.379) 7.745 12.616 ( -4.269 -8.606 -4.972) 10.817 12.697 ( -3.215 -6.799 1.643) 7.698 13.830 ( 5.317 -0.185 -0.926) 5.400 14.060 ( 12.681 1.261 1.138) 12.795 14.216 ( -0.377 3.645 -6.757) 7.687 14.265 ( -4.011 2.279 0.129) 4.615 15.498 ( -5.112 6.955 7.223) 11.255 15.696 ( 6.103 -3.413 2.835) 7.545 16.362 ( 1.096 1.022 -2.502) 2.917 16.389 ( 1.661 0.813 3.828) 4.251 18.081 ( -13.481 -3.619 -2.649) 14.208 18.485 ( 5.313 -2.742 -11.998) 13.405 19.011 ( -5.558 0.508 6.667) 8.695 19.236 ( 3.671 1.702 1.372) 4.273 ======================= Grid point 438 (223/230) ======================= q-point: ( 0.22 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 4.996 2.494 -12.820) 13.984 2.770 ( -4.531 -1.927 2.398) 5.476 3.096 ( 6.848 -1.246 -3.037) 7.594 3.175 ( -0.835 -1.070 -0.699) 1.527 3.355 ( 8.861 -0.565 -17.776) 19.871 3.482 ( -2.846 -0.925 -4.017) 5.009 3.986 ( -6.478 3.084 3.378) 7.930 4.191 ( -2.611 -0.494 -1.494) 3.048 4.487 ( -4.056 1.343 -0.285) 4.282 4.780 ( 6.345 5.355 4.845) 9.614 4.900 ( -7.618 0.068 -4.044) 8.625 5.659 ( -7.446 7.960 3.606) 11.481 5.783 ( -2.648 5.338 8.111) 10.065 5.841 ( 2.650 6.891 -8.556) 11.301 6.025 ( -3.342 4.085 -6.157) 8.110 6.168 ( 4.257 -10.742 6.785) 13.399 6.459 ( 3.741 6.223 -13.160) 15.030 6.851 ( 1.078 -2.411 7.557) 8.005 7.082 ( -12.866 2.857 -7.162) 15.000 7.347 ( -7.865 5.142 0.158) 9.398 7.782 ( 1.355 -10.308 3.556) 10.988 8.082 ( -0.097 -12.266 -3.417) 12.733 8.191 ( 4.553 -1.556 6.347) 7.965 8.605 ( -4.672 1.070 -2.824) 5.563 8.670 ( 1.040 1.239 -1.819) 2.434 8.768 ( 3.057 -1.854 2.598) 4.419 9.426 ( -8.631 0.657 5.540) 10.277 9.559 ( -10.555 0.364 3.299) 11.065 9.859 ( 14.066 -2.418 -4.604) 14.996 10.549 ( 8.947 0.946 -1.096) 9.064 10.622 ( 2.802 -0.941 4.214) 5.148 10.701 ( 3.810 -3.666 2.873) 6.017 11.881 ( -6.082 7.408 0.767) 9.616 11.942 ( -5.481 6.367 1.232) 8.491 12.489 ( -3.970 -9.197 -7.943) 12.784 12.613 ( -6.427 -6.361 1.695) 9.200 13.988 ( 9.057 3.925 -3.001) 10.317 14.044 ( -3.921 6.301 -2.381) 7.794 14.171 ( -3.371 -0.655 -0.261) 3.444 14.483 ( 22.271 -2.576 -2.108) 22.518 15.420 ( -10.698 8.976 11.497) 18.088 15.795 ( 2.515 -7.763 0.011) 8.160 16.383 ( 3.350 1.108 -2.687) 4.435 16.503 ( 5.338 1.289 9.465) 10.943 17.813 ( -11.552 -2.170 -4.354) 12.534 18.356 ( -6.319 -1.040 -18.241) 19.332 19.034 ( 0.626 -0.361 10.092) 10.118 19.283 ( 0.786 2.032 0.445) 2.224 ======================= Grid point 439 (224/230) ======================= q-point: ( 0.33 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 10.006 1.059 -10.276) 14.382 2.701 ( -4.486 -2.237 3.812) 6.297 3.085 ( 1.220 0.089 -13.543) 13.598 3.140 ( -5.701 -3.244 6.427) 9.183 3.399 ( 1.922 -1.866 -14.656) 14.899 3.523 ( 15.016 0.986 -7.665) 16.888 3.848 ( -9.571 2.481 -0.653) 9.909 4.163 ( -1.893 1.826 2.096) 3.363 4.413 ( -1.800 1.103 0.405) 2.150 4.698 ( -8.056 6.602 -2.946) 10.824 4.985 ( 7.936 -1.369 8.292) 11.559 5.571 ( -4.615 8.059 8.668) 12.704 5.769 ( -3.787 5.655 6.730) 9.571 5.845 ( 4.946 6.406 -12.492) 14.885 5.905 ( -4.540 5.767 -7.838) 10.737 6.257 ( -7.198 -9.644 12.227) 17.155 6.400 ( 0.638 3.737 -10.211) 10.892 6.833 ( -5.293 -3.978 -0.419) 6.635 6.900 ( 0.695 1.774 -3.882) 4.324 7.210 ( -6.171 6.609 -0.237) 9.045 7.845 ( 2.703 -9.920 3.354) 10.814 8.036 ( -1.660 -9.499 -1.622) 9.778 8.336 ( 5.376 -2.444 3.707) 6.972 8.531 ( -1.376 0.880 -2.753) 3.201 8.667 ( 2.648 3.222 -5.390) 6.814 8.844 ( 2.719 0.441 -0.312) 2.772 9.292 ( -9.346 -0.288 6.757) 11.537 9.386 ( -9.304 -2.437 4.403) 10.578 10.134 ( 15.422 -3.226 -1.139) 15.797 10.654 ( 2.488 -0.591 -1.850) 3.156 10.698 ( 1.838 -0.702 6.143) 6.451 10.775 ( 1.877 -3.527 1.414) 4.238 11.791 ( -2.942 7.338 -1.136) 7.987 11.846 ( -5.180 5.775 1.404) 7.884 12.374 ( -1.533 -9.254 -9.110) 13.076 12.489 ( -7.668 -6.765 2.675) 10.570 13.931 ( -1.634 6.693 -6.062) 9.177 14.010 ( -5.467 3.380 2.088) 6.758 14.321 ( 15.284 0.389 -0.483) 15.297 14.896 ( 21.317 -2.399 -4.880) 21.999 15.245 ( -15.088 6.461 13.917) 21.519 15.777 ( -4.007 -7.544 -1.694) 8.709 16.469 ( 7.525 1.175 -2.639) 8.060 16.677 ( 3.330 0.966 12.627) 13.095 17.605 ( -6.593 -0.449 -2.677) 7.130 18.067 ( -10.052 -0.763 -17.372) 20.085 19.121 ( 1.615 0.120 7.622) 7.792 19.279 ( -0.777 2.075 -1.090) 2.469 ======================= Grid point 440 (225/230) ======================= q-point: ( 0.44 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( 9.720 -0.110 -7.597) 12.337 2.642 ( -5.795 -1.256 6.207) 8.584 3.039 ( 3.667 -1.418 -12.281) 12.894 3.065 ( -6.694 -3.033 9.723) 12.188 3.394 ( 8.231 -1.091 -12.614) 15.102 3.551 ( -12.024 0.421 3.091) 12.422 3.850 ( 14.519 3.311 -5.023) 15.717 4.077 ( -10.021 3.715 3.240) 11.168 4.440 ( 3.166 2.199 1.723) 4.222 4.541 ( -6.233 4.170 -1.667) 7.682 5.255 ( 14.787 0.506 7.202) 16.456 5.552 ( -8.266 5.766 3.800) 10.771 5.713 ( -6.021 2.665 4.937) 8.230 5.743 ( -1.802 2.012 -6.060) 6.635 5.892 ( 8.148 9.109 -12.926) 17.789 6.028 ( -13.977 5.095 6.156) 16.100 6.500 ( 8.560 -6.866 1.007) 11.020 6.684 ( -9.168 -6.658 -1.378) 11.414 6.975 ( 6.884 4.093 -1.458) 8.140 7.097 ( -5.910 5.759 -0.361) 8.260 7.924 ( 3.277 -9.390 2.317) 10.212 7.992 ( -2.381 -8.967 -1.134) 9.346 8.435 ( 3.444 -0.733 0.993) 3.658 8.491 ( -1.651 0.420 -1.797) 2.476 8.726 ( 5.836 5.387 -1.203) 8.033 8.834 ( -3.193 4.259 -2.695) 5.967 9.209 ( -1.835 -3.690 4.087) 5.804 9.264 ( -5.895 -4.826 2.237) 7.940 10.405 ( 12.386 -3.755 1.006) 12.982 10.601 ( -6.341 -3.209 -2.083) 7.406 10.771 ( 1.522 -0.529 4.034) 4.344 10.798 ( 0.235 -1.636 -0.374) 1.695 11.755 ( 0.018 6.513 -1.385) 6.659 11.775 ( -2.871 5.740 0.990) 6.494 12.326 ( 2.810 -8.554 -7.848) 11.944 12.374 ( -6.513 -7.581 5.054) 11.200 13.896 ( 1.639 5.161 -4.412) 6.985 13.929 ( -4.303 3.771 3.091) 6.503 14.627 ( 16.733 2.946 -1.483) 17.055 14.922 ( -13.956 4.732 0.397) 14.742 15.337 ( 14.437 -4.110 6.324) 16.288 15.619 ( -10.913 -5.862 -2.646) 12.668 16.618 ( 9.357 1.383 -3.293) 10.015 16.735 ( -5.239 1.059 7.792) 9.449 17.575 ( 3.041 -0.198 5.849) 6.596 17.771 ( -9.029 -0.773 -13.873) 16.571 19.193 ( 1.399 0.973 5.074) 5.352 19.245 ( -1.271 1.698 -2.918) 3.607 ======================= Grid point 445 (226/230) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( -7.550 0.000 -9.877) 12.432 2.615 ( 7.550 0.000 9.877) 12.432 3.002 ( -2.174 0.000 -8.767) 9.033 3.002 ( 2.174 0.000 8.767) 9.033 3.506 ( 3.274 0.000 -19.634) 19.905 3.506 ( -3.274 0.000 19.634) 19.905 4.371 ( 11.748 -0.000 -6.961) 13.655 4.371 ( -11.748 0.000 6.961) 13.655 4.434 ( -4.941 -0.000 -0.739) 4.996 4.434 ( 4.941 0.000 0.739) 4.996 5.378 ( -9.185 0.000 -12.841) 15.787 5.378 ( 9.185 0.000 12.841) 15.787 5.836 ( 2.479 -0.000 -13.093) 13.325 5.836 ( -2.479 0.000 13.093) 13.325 6.252 ( -1.401 0.000 0.011) 1.401 6.252 ( 1.401 0.000 -0.011) 1.401 6.631 ( 0.648 0.000 -14.659) 14.673 6.631 ( -0.648 0.000 14.659) 14.673 7.510 ( -3.830 0.000 0.498) 3.862 7.510 ( 3.830 0.000 -0.498) 3.862 7.673 ( -5.732 0.000 -2.492) 6.250 7.673 ( 5.732 0.000 2.492) 6.250 8.370 ( -8.605 0.000 -5.623) 10.279 8.370 ( 8.605 0.000 5.623) 10.279 8.807 ( 1.847 0.000 -0.936) 2.071 8.807 ( -1.847 0.000 0.936) 2.071 9.554 ( 3.378 0.000 -12.863) 13.299 9.554 ( -3.378 0.000 12.863) 13.299 10.063 ( 15.877 0.000 -7.257) 17.457 10.063 ( -15.877 0.000 7.258) 17.457 10.533 ( -0.502 0.000 -0.864) 1.000 10.533 ( 0.502 0.000 0.864) 1.000 12.134 ( -0.529 0.000 -0.174) 0.557 12.134 ( 0.529 0.000 0.174) 0.557 12.617 ( -0.786 0.000 -6.282) 6.331 12.617 ( 0.786 -0.000 6.282) 6.331 13.831 ( -6.150 0.000 -1.196) 6.265 13.831 ( 6.150 0.000 1.196) 6.265 14.333 ( 2.600 0.000 -6.356) 6.867 14.333 ( -2.600 0.000 6.356) 6.867 15.589 ( 4.653 0.000 -16.034) 16.696 15.589 ( -4.653 0.000 16.034) 16.696 16.372 ( 0.643 0.000 -2.352) 2.438 16.372 ( -0.643 0.000 2.352) 2.438 18.302 ( -12.739 0.000 1.884) 12.878 18.302 ( 12.739 0.000 -1.884) 12.878 19.139 ( -6.850 0.000 -0.890) 6.908 19.139 ( 6.850 0.000 0.890) 6.908 ======================= Grid point 449 (227/230) ======================= q-point: ( 0.11 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( -2.941 0.000 -11.656) 12.021 2.798 ( 0.360 0.000 8.134) 8.142 2.940 ( 6.893 -0.000 -9.897) 12.061 3.093 ( 1.907 0.000 5.818) 6.123 3.419 ( 3.161 0.000 -23.039) 23.254 3.540 ( -4.000 0.000 9.311) 10.133 4.166 ( -11.045 0.000 5.038) 12.139 4.260 ( -6.264 -0.000 -3.416) 7.135 4.533 ( 1.422 -0.000 1.983) 2.440 4.613 ( 11.058 0.000 0.348) 11.064 5.136 ( -8.097 0.000 -9.003) 12.108 5.642 ( 6.863 0.000 17.524) 18.820 5.804 ( 2.646 -0.000 -11.750) 12.044 5.892 ( 0.256 0.000 9.476) 9.479 6.139 ( -7.119 0.000 -5.053) 8.730 6.188 ( -4.761 -0.000 -5.766) 7.478 6.563 ( 2.770 -0.000 -15.390) 15.637 6.736 ( 1.922 0.000 11.233) 11.396 7.375 ( -9.684 0.000 -2.083) 9.906 7.521 ( -1.332 -0.000 -2.436) 2.776 7.616 ( -0.342 -0.000 0.936) 0.996 7.843 ( 7.813 0.000 4.088) 8.818 8.191 ( -6.420 0.000 -1.388) 6.568 8.569 ( 7.200 0.000 7.116) 10.123 8.745 ( -4.319 0.000 2.006) 4.762 8.754 ( -6.433 -0.000 -0.868) 6.492 9.544 ( -5.674 -0.000 6.546) 8.663 9.586 ( 9.618 0.000 -11.624) 15.087 9.833 ( -12.093 0.000 4.597) 12.937 10.334 ( 16.624 -0.000 -6.768) 17.949 10.552 ( 1.028 -0.000 4.705) 4.816 10.575 ( 1.900 0.000 3.703) 4.162 12.077 ( -5.479 0.000 1.032) 5.575 12.102 ( -4.452 0.000 2.256) 4.991 12.521 ( -3.012 0.000 -9.629) 10.089 12.625 ( -3.676 -0.000 4.550) 5.849 13.827 ( 6.124 0.000 -1.146) 6.230 14.065 ( 16.139 0.000 1.385) 16.198 14.271 ( -5.972 -0.000 2.321) 6.407 14.275 ( -2.634 0.000 -9.433) 9.794 15.614 ( 6.991 0.000 -10.007) 12.207 15.618 ( -6.600 -0.000 19.133) 20.239 16.373 ( 1.182 0.000 -2.619) 2.873 16.397 ( 1.751 0.000 4.112) 4.470 18.046 ( -12.992 0.000 -2.503) 13.231 18.456 ( 6.207 0.000 -11.869) 13.394 19.017 ( -5.965 0.000 6.097) 8.529 19.252 ( 3.641 0.000 2.053) 4.180 ======================= Grid point 451 (228/230) ======================= q-point: ( 0.22 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 4.011 0.000 -12.483) 13.111 2.743 ( -4.620 -0.000 0.932) 4.713 3.101 ( 7.686 -0.000 -4.117) 8.719 3.142 ( -0.847 0.000 4.153) 4.239 3.355 ( 8.245 0.000 -19.540) 21.208 3.474 ( -3.313 0.000 -6.014) 6.866 4.026 ( -7.685 0.000 4.246) 8.780 4.171 ( -1.836 -0.000 1.038) 2.109 4.501 ( -4.162 0.000 -1.637) 4.473 4.797 ( 6.489 -0.000 3.224) 7.246 4.950 ( -6.437 0.000 -4.500) 7.855 5.751 ( -3.741 -0.000 -2.295) 4.388 5.828 ( -2.540 -0.000 19.589) 19.753 5.950 ( 0.739 -0.000 1.604) 1.766 5.993 ( -0.298 0.000 -11.458) 11.462 6.077 ( -0.481 0.000 -3.578) 3.610 6.533 ( 3.165 -0.000 -11.217) 11.655 6.823 ( -0.132 0.000 6.389) 6.390 7.116 ( -13.459 0.000 -5.260) 14.450 7.434 ( -5.581 -0.000 -2.285) 6.031 7.649 ( 2.654 -0.000 1.235) 2.928 7.938 ( 0.316 0.000 -0.750) 0.814 8.178 ( 3.973 0.000 5.446) 6.742 8.614 ( -5.290 0.000 -1.630) 5.535 8.696 ( -1.162 0.000 -0.190) 1.178 8.733 ( 5.336 -0.000 4.576) 7.030 9.437 ( -8.596 0.000 4.485) 9.696 9.566 ( -10.909 0.000 2.203) 11.129 9.836 ( 13.709 0.000 -4.802) 14.526 10.566 ( 10.691 -0.000 -5.210) 11.893 10.621 ( 1.235 -0.000 8.338) 8.429 10.645 ( 2.986 0.000 3.036) 4.258 11.966 ( -5.619 0.000 -0.247) 5.624 12.010 ( -7.083 0.000 4.137) 8.202 12.390 ( -2.309 0.000 -12.963) 13.167 12.547 ( -7.194 0.000 3.977) 8.220 14.018 ( 13.262 -0.000 -1.277) 13.324 14.138 ( -7.642 -0.000 3.891) 8.576 14.140 ( -3.455 0.000 -8.900) 9.547 14.457 ( 22.247 0.000 -2.031) 22.340 15.541 ( -14.096 0.000 15.912) 21.258 15.688 ( 5.116 -0.000 -5.752) 7.698 16.394 ( 3.453 0.000 -2.882) 4.497 16.515 ( 5.355 0.000 9.648) 11.034 17.793 ( -10.704 0.000 -4.112) 11.466 18.344 ( -5.690 0.000 -18.648) 19.497 19.031 ( 0.427 0.000 10.515) 10.523 19.303 ( 0.730 0.000 0.945) 1.194 ======================= Grid point 453 (229/230) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 9.528 0.000 -11.155) 14.670 2.677 ( -4.178 -0.000 4.389) 6.060 3.087 ( 0.162 0.000 -12.004) 12.005 3.107 ( -5.949 -0.000 5.979) 8.435 3.380 ( 2.379 0.000 -15.883) 16.061 3.532 ( 15.634 0.000 -7.047) 17.149 3.873 ( -10.507 0.000 0.274) 10.510 4.177 ( -0.199 0.000 1.705) 1.716 4.423 ( -1.187 0.000 -0.575) 1.319 4.757 ( -8.601 0.000 -1.651) 8.758 4.983 ( 7.650 -0.000 6.634) 10.126 5.674 ( -4.088 -0.000 6.216) 7.440 5.796 ( -5.288 0.000 1.878) 5.612 5.946 ( -3.287 0.000 -2.291) 4.007 5.973 ( 5.983 -0.000 -13.794) 15.035 6.110 ( -2.372 0.000 13.994) 14.194 6.446 ( -7.585 -0.000 -4.671) 8.908 6.783 ( -6.674 0.000 0.247) 6.678 6.935 ( 2.902 0.000 -8.188) 8.687 7.305 ( -6.201 0.000 -1.018) 6.284 7.723 ( 3.979 -0.000 1.170) 4.147 7.919 ( -1.256 0.000 -0.113) 1.261 8.318 ( 5.594 0.000 4.314) 7.064 8.539 ( -1.620 0.000 -2.342) 2.847 8.705 ( 3.314 0.000 -2.559) 4.187 8.838 ( 3.898 -0.000 0.282) 3.908 9.302 ( -8.810 -0.000 6.139) 10.738 9.355 ( -11.946 0.000 3.038) 12.326 10.103 ( 15.099 0.000 -1.408) 15.165 10.646 ( 0.889 0.000 -2.743) 2.883 10.706 ( 1.145 -0.000 8.197) 8.277 10.724 ( 3.666 0.000 0.635) 3.721 11.876 ( -2.255 0.000 -3.597) 4.245 11.903 ( -7.030 0.000 5.540) 8.951 12.276 ( 0.529 0.000 -14.063) 14.073 12.420 ( -8.859 0.000 5.104) 10.224 14.007 ( -2.179 -0.000 -7.733) 8.034 14.029 ( -6.013 0.000 3.403) 6.909 14.328 ( 17.176 0.000 -0.696) 17.190 14.870 ( 21.709 0.000 -3.953) 22.065 15.321 ( -18.210 0.000 14.097) 23.028 15.693 ( -1.988 -0.000 -3.404) 3.942 16.480 ( 7.722 0.000 -2.989) 8.281 16.687 ( 3.215 0.000 12.339) 12.751 17.602 ( -6.093 0.000 -2.411) 6.553 18.058 ( -10.009 0.000 -17.514) 20.172 19.122 ( 1.822 0.000 8.189) 8.390 19.300 ( -0.928 0.000 -0.897) 1.290 ======================= Grid point 455 (230/230) ======================= q-point: ( 0.44 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( 9.812 0.000 -9.647) 13.760 2.630 ( -5.850 -0.000 8.217) 10.087 3.025 ( 2.252 0.000 -10.981) 11.209 3.035 ( -5.792 0.000 8.863) 10.588 3.384 ( 9.101 0.000 -13.178) 16.015 3.555 ( -12.853 -0.000 3.314) 13.274 3.881 ( 14.618 0.000 -3.712) 15.082 4.111 ( -9.115 0.000 1.806) 9.292 4.461 ( 4.271 0.000 0.996) 4.385 4.583 ( -7.814 0.000 -0.681) 7.844 5.262 ( 16.506 0.000 7.342) 18.065 5.647 ( -15.279 -0.000 -3.308) 15.633 5.687 ( -0.409 0.000 8.608) 8.618 5.769 ( -4.495 0.000 -8.945) 10.011 6.013 ( 7.278 0.000 -12.190) 14.197 6.084 ( -9.060 0.000 13.569) 16.315 6.410 ( 6.008 -0.000 2.686) 6.581 6.600 ( -9.691 0.000 -4.128) 10.533 7.037 ( 9.083 -0.000 -3.933) 9.898 7.180 ( -7.167 0.000 0.725) 7.204 7.810 ( 4.142 -0.000 0.939) 4.247 7.882 ( -2.781 0.000 -0.166) 2.786 8.431 ( 3.879 0.000 2.043) 4.384 8.497 ( -1.837 0.000 -1.815) 2.582 8.789 ( 6.070 0.000 -0.612) 6.101 8.874 ( -0.134 0.000 -3.142) 3.144 9.190 ( -5.353 -0.000 1.425) 5.539 9.195 ( -5.796 0.000 4.775) 7.510 10.368 ( 12.302 0.000 0.884) 12.334 10.568 ( -7.012 0.000 -2.036) 7.302 10.769 ( -0.211 -0.000 6.919) 6.922 10.779 ( 2.455 0.000 -3.086) 3.943 11.828 ( 0.804 0.000 -6.296) 6.347 11.832 ( -4.349 -0.000 6.566) 7.876 12.238 ( 4.950 0.000 -12.125) 13.096 12.297 ( -8.162 0.000 8.309) 11.647 13.948 ( 0.779 -0.000 -5.401) 5.457 13.960 ( -3.631 0.000 3.958) 5.371 14.659 ( 17.887 0.000 -1.644) 17.963 14.973 ( -13.818 0.000 -0.773) 13.840 15.296 ( 12.153 0.000 7.986) 14.542 15.558 ( -9.685 0.000 -3.216) 10.205 16.631 ( 9.513 0.000 -3.670) 10.197 16.746 ( -4.999 0.000 7.902) 9.351 17.573 ( 2.751 0.000 5.651) 6.285 17.762 ( -8.930 0.000 -13.655) 16.316 19.202 ( 1.691 0.000 5.481) 5.736 19.262 ( -1.521 0.000 -3.056) 3.413 =================== 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 3/34560 10.0 1802.426 1699.186 1592.447 0.000 76.046 0.000 3/34560 20.0 237.806 244.302 312.915 0.000 -10.234 0.000 3/34560 30.0 87.597 80.418 118.990 0.000 -0.961 0.000 3/34560 40.0 49.157 41.748 66.581 0.000 0.029 0.000 3/34560 50.0 32.810 26.629 44.146 0.000 0.131 0.000 3/34560 60.0 24.078 19.020 32.164 0.000 0.090 0.000 3/34560 70.0 18.789 14.581 24.921 0.000 0.031 0.000 3/34560 80.0 15.313 11.732 20.171 0.000 -0.020 0.000 3/34560 90.0 12.891 9.774 16.865 0.000 -0.060 0.000 3/34560 100.0 11.125 8.360 14.458 0.000 -0.090 0.000 3/34560 110.0 9.791 7.297 12.641 0.000 -0.110 0.000 3/34560 120.0 8.753 6.474 11.228 0.000 -0.124 0.000 3/34560 130.0 7.926 5.819 10.103 0.000 -0.133 0.000 3/34560 140.0 7.252 5.287 9.188 0.000 -0.139 0.000 3/34560 150.0 6.693 4.846 8.431 0.000 -0.141 0.000 3/34560 160.0 6.222 4.476 7.795 0.000 -0.142 0.000 3/34560 170.0 5.819 4.161 7.253 0.000 -0.140 0.000 3/34560 180.0 5.471 3.889 6.787 0.000 -0.138 0.000 3/34560 190.0 5.167 3.652 6.381 0.000 -0.135 0.000 3/34560 200.0 4.898 3.443 6.024 0.000 -0.132 0.000 3/34560 210.0 4.658 3.259 5.707 0.000 -0.128 0.000 3/34560 220.0 4.444 3.094 5.425 0.000 -0.124 0.000 3/34560 230.0 4.250 2.946 5.171 0.000 -0.120 0.000 3/34560 240.0 4.073 2.811 4.941 0.000 -0.116 0.000 3/34560 250.0 3.912 2.690 4.733 0.000 -0.112 0.000 3/34560 260.0 3.764 2.578 4.542 0.000 -0.108 0.000 3/34560 270.0 3.628 2.476 4.367 0.000 -0.104 0.000 3/34560 280.0 3.501 2.382 4.205 0.000 -0.100 0.000 3/34560 290.0 3.384 2.296 4.056 0.000 -0.097 0.000 3/34560 300.0 3.275 2.215 3.918 0.000 -0.094 0.000 3/34560 310.0 3.172 2.140 3.789 0.000 -0.090 0.000 3/34560 320.0 3.077 2.070 3.669 0.000 -0.087 0.000 3/34560 330.0 2.987 2.005 3.556 0.000 -0.084 0.000 3/34560 340.0 2.902 1.944 3.450 0.000 -0.082 0.000 3/34560 350.0 2.822 1.887 3.351 0.000 -0.079 0.000 3/34560 360.0 2.746 1.833 3.257 0.000 -0.077 0.000 3/34560 370.0 2.675 1.782 3.169 0.000 -0.074 0.000 3/34560 380.0 2.607 1.733 3.085 0.000 -0.072 0.000 3/34560 390.0 2.542 1.688 3.006 0.000 -0.070 0.000 3/34560 400.0 2.481 1.645 2.931 0.000 -0.068 0.000 3/34560 410.0 2.423 1.604 2.859 0.000 -0.066 0.000 3/34560 420.0 2.367 1.565 2.792 0.000 -0.064 0.000 3/34560 430.0 2.314 1.528 2.727 0.000 -0.063 0.000 3/34560 440.0 2.263 1.492 2.665 0.000 -0.061 0.000 3/34560 450.0 2.214 1.458 2.606 0.000 -0.059 0.000 3/34560 460.0 2.168 1.426 2.550 0.000 -0.058 0.000 3/34560 470.0 2.123 1.395 2.496 0.000 -0.056 0.000 3/34560 480.0 2.080 1.366 2.444 0.000 -0.055 0.000 3/34560 490.0 2.039 1.338 2.394 0.000 -0.054 0.000 3/34560 500.0 1.999 1.311 2.347 0.000 -0.053 0.000 3/34560 510.0 1.961 1.285 2.301 0.000 -0.051 0.000 3/34560 520.0 1.925 1.260 2.257 0.000 -0.050 0.000 3/34560 530.0 1.889 1.236 2.215 0.000 -0.049 0.000 3/34560 540.0 1.855 1.212 2.174 0.000 -0.048 0.000 3/34560 550.0 1.823 1.190 2.135 0.000 -0.047 0.000 3/34560 560.0 1.791 1.169 2.097 0.000 -0.046 0.000 3/34560 570.0 1.760 1.148 2.060 0.000 -0.045 0.000 3/34560 580.0 1.731 1.128 2.025 0.000 -0.044 0.000 3/34560 590.0 1.702 1.109 1.991 0.000 -0.043 0.000 3/34560 600.0 1.674 1.090 1.958 0.000 -0.043 0.000 3/34560 610.0 1.648 1.072 1.926 0.000 -0.042 0.000 3/34560 620.0 1.622 1.055 1.895 0.000 -0.041 0.000 3/34560 630.0 1.596 1.038 1.865 0.000 -0.040 0.000 3/34560 640.0 1.572 1.022 1.836 0.000 -0.040 0.000 3/34560 650.0 1.548 1.006 1.808 0.000 -0.039 0.000 3/34560 660.0 1.525 0.991 1.781 0.000 -0.038 0.000 3/34560 670.0 1.503 0.976 1.755 0.000 -0.038 0.000 3/34560 680.0 1.481 0.961 1.729 0.000 -0.037 0.000 3/34560 690.0 1.460 0.947 1.704 0.000 -0.036 0.000 3/34560 700.0 1.440 0.934 1.680 0.000 -0.036 0.000 3/34560 710.0 1.420 0.920 1.656 0.000 -0.035 0.000 3/34560 720.0 1.401 0.908 1.634 0.000 -0.035 0.000 3/34560 730.0 1.382 0.895 1.611 0.000 -0.034 0.000 3/34560 740.0 1.363 0.883 1.590 0.000 -0.034 0.000 3/34560 750.0 1.346 0.871 1.569 0.000 -0.033 0.000 3/34560 760.0 1.328 0.860 1.548 0.000 -0.033 0.000 3/34560 770.0 1.311 0.848 1.528 0.000 -0.032 0.000 3/34560 780.0 1.295 0.837 1.509 0.000 -0.032 0.000 3/34560 790.0 1.279 0.827 1.490 0.000 -0.031 0.000 3/34560 800.0 1.263 0.816 1.471 0.000 -0.031 0.000 3/34560 810.0 1.247 0.806 1.453 0.000 -0.030 0.000 3/34560 820.0 1.232 0.796 1.435 0.000 -0.030 0.000 3/34560 830.0 1.218 0.787 1.418 0.000 -0.030 0.000 3/34560 840.0 1.204 0.777 1.401 0.000 -0.029 0.000 3/34560 850.0 1.190 0.768 1.385 0.000 -0.029 0.000 3/34560 860.0 1.176 0.759 1.369 0.000 -0.029 0.000 3/34560 870.0 1.163 0.751 1.353 0.000 -0.028 0.000 3/34560 880.0 1.150 0.742 1.338 0.000 -0.028 0.000 3/34560 890.0 1.137 0.734 1.323 0.000 -0.027 0.000 3/34560 900.0 1.124 0.725 1.308 0.000 -0.027 0.000 3/34560 910.0 1.112 0.717 1.294 0.000 -0.027 0.000 3/34560 920.0 1.100 0.710 1.280 0.000 -0.027 0.000 3/34560 930.0 1.089 0.702 1.266 0.000 -0.026 0.000 3/34560 940.0 1.077 0.695 1.253 0.000 -0.026 0.000 3/34560 950.0 1.066 0.687 1.240 0.000 -0.026 0.000 3/34560 960.0 1.055 0.680 1.227 0.000 -0.025 0.000 3/34560 970.0 1.044 0.673 1.214 0.000 -0.025 0.000 3/34560 980.0 1.034 0.666 1.202 0.000 -0.025 0.000 3/34560 990.0 1.023 0.659 1.190 0.000 -0.024 0.000 3/34560 1000.0 1.013 0.653 1.178 0.000 -0.024 0.000 3/34560 Thermal conductivity related properties were written into "kappa-m9810.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:25:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|