----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:46:04]------------------------- 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 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.807363535000000 -5.692152325000000 0.000000000000000 b 2.807363535000000 5.692152325000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.581496230000002 Atomic positions (fractional): *1 N 0.15171650291124 0.34828349708876 0.25000000000000 14.007 2 N 0.34828349708876 0.15171650291124 0.75000000000000 14.007 3 N 0.84828349708876 0.65171650291124 0.75000000000000 14.007 4 N 0.65171650291124 0.84828349708876 0.25000000000000 14.007 *5 N 0.10189510081436 0.89810489918564 0.41874325329025 14.007 6 N 0.60189510081436 0.39810489918564 0.08125674670975 14.007 7 N 0.39810489918564 0.60189510081436 0.91874325329025 14.007 8 N 0.89810489918564 0.10189510081436 0.58125674670975 14.007 *9 Si 0.95052883558520 0.04947116441480 0.35957186650691 28.085 10 Si 0.54947116441480 0.45052883558520 0.85957186650691 28.085 11 Si 0.04947116441480 0.95052883558520 0.64042813349309 28.085 12 Si 0.45052883558520 0.54947116441480 0.14042813349309 28.085 *13 Ba 0.16481425911548 0.83518574088452 0.06444320067663 137.327 14 Ba 0.83518574088452 0.16481425911548 0.93555679932337 137.327 15 Ba 0.33518574088452 0.66481425911548 0.56444320067663 137.327 16 Ba 0.66481425911548 0.33518574088452 0.43555679932337 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.614727070000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.384304650000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.581496230000002 Atomic positions (fractional): *1 N 0.25000000000000 0.09828349708876 0.25000000000000 14.007 > 1 2 N 0.75000000000000 0.40171650291124 0.75000000000000 14.007 > 2 3 N 0.25000000000000 0.40171650291124 0.75000000000000 14.007 > 3 4 N 0.75000000000000 0.09828349708876 0.25000000000000 14.007 > 4 *5 N 0.50000000000000 0.39810489918564 0.41874325329025 14.007 > 5 6 N 0.00000000000000 0.39810489918564 0.08125674670975 14.007 > 6 7 N 0.50000000000000 0.10189510081436 0.91874325329025 14.007 > 7 8 N 0.00000000000000 0.10189510081436 0.58125674670975 14.007 > 8 9 N 0.75000000000000 0.59828349708876 0.25000000000000 14.007 > 1 10 N 0.25000000000000 0.90171650291124 0.75000000000000 14.007 > 2 11 N 0.75000000000000 0.90171650291124 0.75000000000000 14.007 > 3 12 N 0.25000000000000 0.59828349708876 0.25000000000000 14.007 > 4 13 N 0.00000000000000 0.89810489918564 0.41874325329025 14.007 > 5 14 N 0.50000000000000 0.89810489918564 0.08125674670975 14.007 > 6 15 N 0.00000000000000 0.60189510081436 0.91874325329025 14.007 > 7 16 N 0.50000000000000 0.60189510081436 0.58125674670975 14.007 > 8 *17 Si 0.00000000000000 0.04947116441480 0.35957186650691 28.085 > 9 18 Si 0.00000000000000 0.45052883558520 0.85957186650691 28.085 > 10 19 Si 0.50000000000000 0.45052883558520 0.64042813349309 28.085 > 11 20 Si 0.50000000000000 0.04947116441480 0.14042813349309 28.085 > 12 21 Si 0.50000000000000 0.54947116441480 0.35957186650691 28.085 > 9 22 Si 0.50000000000000 0.95052883558520 0.85957186650691 28.085 > 10 23 Si 0.00000000000000 0.95052883558520 0.64042813349309 28.085 > 11 24 Si 0.00000000000000 0.54947116441480 0.14042813349309 28.085 > 12 *25 Ba 0.50000000000000 0.33518574088452 0.06444320067663 137.327 > 13 26 Ba 0.00000000000000 0.16481425911548 0.93555679932337 137.327 > 14 27 Ba 0.50000000000000 0.16481425911548 0.56444320067663 137.327 > 15 28 Ba 0.00000000000000 0.33518574088452 0.43555679932337 137.327 > 16 29 Ba 0.00000000000000 0.83518574088452 0.06444320067663 137.327 > 13 30 Ba 0.50000000000000 0.66481425911548 0.93555679932337 137.327 > 14 31 Ba 0.00000000000000 0.66481425911548 0.56444320067663 137.327 > 15 32 Ba 0.50000000000000 0.83518574088452 0.43555679932337 137.327 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.229454140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.384304650000001 0.000000000000000 c 0.000000000000000 0.000000000000000 15.162992460000003 Atomic positions (fractional): *1 N 0.12500000000000 0.09828349708876 0.12500000000000 14.007 > 1 2 N 0.62500000000000 0.09828349708876 0.12500000000000 14.007 > 1 3 N 0.12500000000000 0.09828349708876 0.62500000000000 14.007 > 1 4 N 0.62500000000000 0.09828349708876 0.62500000000000 14.007 > 1 5 N 0.37500000000000 0.40171650291124 0.37500000000000 14.007 > 2 6 N 0.87500000000000 0.40171650291124 0.37500000000000 14.007 > 2 7 N 0.37500000000000 0.40171650291124 0.87500000000000 14.007 > 2 8 N 0.87500000000000 0.40171650291124 0.87500000000000 14.007 > 2 9 N 0.12500000000000 0.40171650291124 0.37500000000000 14.007 > 3 10 N 0.62500000000000 0.40171650291124 0.37500000000000 14.007 > 3 11 N 0.12500000000000 0.40171650291124 0.87500000000000 14.007 > 3 12 N 0.62500000000000 0.40171650291124 0.87500000000000 14.007 > 3 13 N 0.37500000000000 0.09828349708876 0.12500000000000 14.007 > 4 14 N 0.87500000000000 0.09828349708876 0.12500000000000 14.007 > 4 15 N 0.37500000000000 0.09828349708876 0.62500000000000 14.007 > 4 16 N 0.87500000000000 0.09828349708876 0.62500000000000 14.007 > 4 *17 N 0.25000000000000 0.39810489918564 0.20937162664513 14.007 > 5 18 N 0.75000000000000 0.39810489918564 0.20937162664513 14.007 > 5 19 N 0.25000000000000 0.39810489918564 0.70937162664513 14.007 > 5 20 N 0.75000000000000 0.39810489918564 0.70937162664513 14.007 > 5 21 N 0.00000000000000 0.39810489918564 0.04062837335487 14.007 > 6 22 N 0.50000000000000 0.39810489918564 0.04062837335487 14.007 > 6 23 N 0.00000000000000 0.39810489918564 0.54062837335487 14.007 > 6 24 N 0.50000000000000 0.39810489918564 0.54062837335487 14.007 > 6 25 N 0.25000000000000 0.10189510081436 0.45937162664513 14.007 > 7 26 N 0.75000000000000 0.10189510081436 0.45937162664513 14.007 > 7 27 N 0.25000000000000 0.10189510081436 0.95937162664513 14.007 > 7 28 N 0.75000000000000 0.10189510081436 0.95937162664513 14.007 > 7 29 N 0.00000000000000 0.10189510081436 0.29062837335487 14.007 > 8 30 N 0.50000000000000 0.10189510081436 0.29062837335487 14.007 > 8 31 N 0.00000000000000 0.10189510081436 0.79062837335487 14.007 > 8 32 N 0.50000000000000 0.10189510081436 0.79062837335487 14.007 > 8 33 N 0.37500000000000 0.59828349708876 0.12500000000000 14.007 > 1 34 N 0.87500000000000 0.59828349708876 0.12500000000000 14.007 > 1 35 N 0.37500000000000 0.59828349708876 0.62500000000000 14.007 > 1 36 N 0.87500000000000 0.59828349708876 0.62500000000000 14.007 > 1 37 N 0.12500000000000 0.90171650291124 0.37500000000000 14.007 > 2 38 N 0.62500000000000 0.90171650291124 0.37500000000000 14.007 > 2 39 N 0.12500000000000 0.90171650291124 0.87500000000000 14.007 > 2 40 N 0.62500000000000 0.90171650291124 0.87500000000000 14.007 > 2 41 N 0.37500000000000 0.90171650291124 0.37500000000000 14.007 > 3 42 N 0.87500000000000 0.90171650291124 0.37500000000000 14.007 > 3 43 N 0.37500000000000 0.90171650291124 0.87500000000000 14.007 > 3 44 N 0.87500000000000 0.90171650291124 0.87500000000000 14.007 > 3 45 N 0.12500000000000 0.59828349708876 0.12500000000000 14.007 > 4 46 N 0.62500000000000 0.59828349708876 0.12500000000000 14.007 > 4 47 N 0.12500000000000 0.59828349708876 0.62500000000000 14.007 > 4 48 N 0.62500000000000 0.59828349708876 0.62500000000000 14.007 > 4 49 N 0.00000000000000 0.89810489918564 0.20937162664513 14.007 > 5 50 N 0.50000000000000 0.89810489918564 0.20937162664513 14.007 > 5 51 N 0.00000000000000 0.89810489918564 0.70937162664513 14.007 > 5 52 N 0.50000000000000 0.89810489918564 0.70937162664513 14.007 > 5 53 N 0.25000000000000 0.89810489918564 0.04062837335487 14.007 > 6 54 N 0.75000000000000 0.89810489918564 0.04062837335487 14.007 > 6 55 N 0.25000000000000 0.89810489918564 0.54062837335487 14.007 > 6 56 N 0.75000000000000 0.89810489918564 0.54062837335487 14.007 > 6 57 N 0.00000000000000 0.60189510081436 0.45937162664513 14.007 > 7 58 N 0.50000000000000 0.60189510081436 0.45937162664513 14.007 > 7 59 N 0.00000000000000 0.60189510081436 0.95937162664513 14.007 > 7 60 N 0.50000000000000 0.60189510081436 0.95937162664513 14.007 > 7 61 N 0.25000000000000 0.60189510081436 0.29062837335487 14.007 > 8 62 N 0.75000000000000 0.60189510081436 0.29062837335487 14.007 > 8 63 N 0.25000000000000 0.60189510081436 0.79062837335487 14.007 > 8 64 N 0.75000000000000 0.60189510081436 0.79062837335487 14.007 > 8 *65 Si 0.00000000000000 0.04947116441480 0.17978593325346 28.085 > 9 66 Si 0.50000000000000 0.04947116441480 0.17978593325346 28.085 > 9 67 Si 0.00000000000000 0.04947116441480 0.67978593325346 28.085 > 9 68 Si 0.50000000000000 0.04947116441480 0.67978593325346 28.085 > 9 69 Si 0.00000000000000 0.45052883558520 0.42978593325346 28.085 > 10 70 Si 0.50000000000000 0.45052883558520 0.42978593325346 28.085 > 10 71 Si 0.00000000000000 0.45052883558520 0.92978593325346 28.085 > 10 72 Si 0.50000000000000 0.45052883558520 0.92978593325346 28.085 > 10 73 Si 0.25000000000000 0.45052883558520 0.32021406674654 28.085 > 11 74 Si 0.75000000000000 0.45052883558520 0.32021406674654 28.085 > 11 75 Si 0.25000000000000 0.45052883558520 0.82021406674654 28.085 > 11 76 Si 0.75000000000000 0.45052883558520 0.82021406674654 28.085 > 11 77 Si 0.25000000000000 0.04947116441480 0.07021406674654 28.085 > 12 78 Si 0.75000000000000 0.04947116441480 0.07021406674654 28.085 > 12 79 Si 0.25000000000000 0.04947116441480 0.57021406674654 28.085 > 12 80 Si 0.75000000000000 0.04947116441480 0.57021406674654 28.085 > 12 81 Si 0.25000000000000 0.54947116441480 0.17978593325346 28.085 > 9 82 Si 0.75000000000000 0.54947116441480 0.17978593325346 28.085 > 9 83 Si 0.25000000000000 0.54947116441480 0.67978593325346 28.085 > 9 84 Si 0.75000000000000 0.54947116441480 0.67978593325346 28.085 > 9 85 Si 0.25000000000000 0.95052883558520 0.42978593325346 28.085 > 10 86 Si 0.75000000000000 0.95052883558520 0.42978593325346 28.085 > 10 87 Si 0.25000000000000 0.95052883558520 0.92978593325346 28.085 > 10 88 Si 0.75000000000000 0.95052883558520 0.92978593325346 28.085 > 10 89 Si 0.00000000000000 0.95052883558520 0.32021406674654 28.085 > 11 90 Si 0.50000000000000 0.95052883558520 0.32021406674654 28.085 > 11 91 Si 0.00000000000000 0.95052883558520 0.82021406674654 28.085 > 11 92 Si 0.50000000000000 0.95052883558520 0.82021406674654 28.085 > 11 93 Si 0.00000000000000 0.54947116441480 0.07021406674654 28.085 > 12 94 Si 0.50000000000000 0.54947116441480 0.07021406674654 28.085 > 12 95 Si 0.00000000000000 0.54947116441480 0.57021406674654 28.085 > 12 96 Si 0.50000000000000 0.54947116441480 0.57021406674654 28.085 > 12 *97 Ba 0.25000000000000 0.33518574088452 0.03222160033831 137.327 > 13 98 Ba 0.75000000000000 0.33518574088452 0.03222160033831 137.327 > 13 99 Ba 0.25000000000000 0.33518574088452 0.53222160033831 137.327 > 13 100 Ba 0.75000000000000 0.33518574088452 0.53222160033831 137.327 > 13 101 Ba 0.00000000000000 0.16481425911548 0.46777839966169 137.327 > 14 102 Ba 0.50000000000000 0.16481425911548 0.46777839966169 137.327 > 14 103 Ba 0.00000000000000 0.16481425911548 0.96777839966169 137.327 > 14 104 Ba 0.50000000000000 0.16481425911548 0.96777839966169 137.327 > 14 105 Ba 0.25000000000000 0.16481425911548 0.28222160033831 137.327 > 15 106 Ba 0.75000000000000 0.16481425911548 0.28222160033831 137.327 > 15 107 Ba 0.25000000000000 0.16481425911548 0.78222160033831 137.327 > 15 108 Ba 0.75000000000000 0.16481425911548 0.78222160033831 137.327 > 15 109 Ba 0.00000000000000 0.33518574088452 0.21777839966169 137.327 > 16 110 Ba 0.50000000000000 0.33518574088452 0.21777839966169 137.327 > 16 111 Ba 0.00000000000000 0.33518574088452 0.71777839966169 137.327 > 16 112 Ba 0.50000000000000 0.33518574088452 0.71777839966169 137.327 > 16 113 Ba 0.00000000000000 0.83518574088452 0.03222160033831 137.327 > 13 114 Ba 0.50000000000000 0.83518574088452 0.03222160033831 137.327 > 13 115 Ba 0.00000000000000 0.83518574088452 0.53222160033831 137.327 > 13 116 Ba 0.50000000000000 0.83518574088452 0.53222160033831 137.327 > 13 117 Ba 0.25000000000000 0.66481425911548 0.46777839966169 137.327 > 14 118 Ba 0.75000000000000 0.66481425911548 0.46777839966169 137.327 > 14 119 Ba 0.25000000000000 0.66481425911548 0.96777839966169 137.327 > 14 120 Ba 0.75000000000000 0.66481425911548 0.96777839966169 137.327 > 14 121 Ba 0.00000000000000 0.66481425911548 0.28222160033831 137.327 > 15 122 Ba 0.50000000000000 0.66481425911548 0.28222160033831 137.327 > 15 123 Ba 0.00000000000000 0.66481425911548 0.78222160033831 137.327 > 15 124 Ba 0.50000000000000 0.66481425911548 0.78222160033831 137.327 > 15 125 Ba 0.25000000000000 0.83518574088452 0.21777839966169 137.327 > 16 126 Ba 0.75000000000000 0.83518574088452 0.21777839966169 137.327 > 16 127 Ba 0.25000000000000 0.83518574088452 0.71777839966169 137.327 > 16 128 Ba 0.75000000000000 0.83518574088452 0.71777839966169 137.327 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5905984 0.0000000 0.0000000 0.0000000 5.1850626 0.0000000 0.0000000 0.0000000 5.5640988 -------------------------- Born effective charges -------------------------- 1 N -3.6633931 0.0000000 0.6560347 0.0000000 -1.9220794 0.0000000 0.7683954 0.0000000 -2.9968860 2 N -3.6633931 0.0000000 -0.6560347 0.0000000 -1.9220794 0.0000000 -0.7683954 0.0000000 -2.9968860 3 N -3.6633931 0.0000000 0.6560347 0.0000000 -1.9220794 0.0000000 0.7683954 0.0000000 -2.9968860 4 N -3.6633931 0.0000000 -0.6560347 0.0000000 -1.9220794 0.0000000 -0.7683954 0.0000000 -2.9968860 5 N -2.3107382 0.0000000 0.0000000 0.0000000 -2.9161392 0.0813148 0.0000000 0.1293669 -3.1177073 6 N -2.3107382 0.0000000 0.0000000 0.0000000 -2.9161392 -0.0813148 0.0000000 -0.1293669 -3.1177073 7 N -2.3107382 0.0000000 0.0000000 0.0000000 -2.9161392 -0.0813148 0.0000000 -0.1293669 -3.1177073 8 N -2.3107382 0.0000000 0.0000000 0.0000000 -2.9161392 0.0813148 0.0000000 0.1293669 -3.1177073 9 Si 3.2025776 0.0000000 0.0000000 0.0000000 2.3118927 -0.4947608 0.0000000 -0.5907873 3.0908503 10 Si 3.2025776 0.0000000 0.0000000 0.0000000 2.3118927 0.4947608 0.0000000 0.5907873 3.0908503 11 Si 3.2025776 0.0000000 0.0000000 0.0000000 2.3118927 -0.4947608 0.0000000 -0.5907873 3.0908503 12 Si 3.2025776 0.0000000 0.0000000 0.0000000 2.3118927 0.4947608 0.0000000 0.5907873 3.0908503 13 Ba 2.7715538 0.0000000 0.0000000 0.0000000 2.5263259 0.0643315 0.0000000 0.0956482 3.0237429 14 Ba 2.7715538 0.0000000 0.0000000 0.0000000 2.5263259 0.0643315 0.0000000 0.0956482 3.0237429 15 Ba 2.7715538 0.0000000 0.0000000 0.0000000 2.5263259 -0.0643315 0.0000000 -0.0956482 3.0237429 16 Ba 2.7715538 0.0000000 0.0000000 0.0000000 2.5263259 -0.0643315 0.0000000 -0.0956482 3.0237429 ---------------------------------------------------------------------------- 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: 11136/11136 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1298 Number of blocks in projector: 1298 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: 324 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 202 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 202 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 202 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 180 Use standard eigh solver. Tree of FC basis block matrices: - (1298, 1278), data: False |-- (180, 180), data: True |-- (188, 186), data: True |-- (202, 198), data: True |-- (202, 198), data: True |-- (202, 198), data: True |-- (324, 318), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.899 Solver_block: 200 / 240 - Time: 2.469 Solver_block: 240 / 240 - Time: 0.840 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.261 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 11136/11136 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1298 Number of blocks in projector: 1298 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: 324 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 202 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 202 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 202 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 180 Use standard eigh solver. Tree of FC basis block matrices: - (1298, 1278), data: False |-- (180, 180), data: True |-- (188, 186), data: True |-- (202, 198), data: True |-- (202, 198), data: True |-- (202, 198), data: True |-- (324, 318), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) 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 19:46:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:46:28]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.807363535000000 -5.692152325000000 0.000000000000000 b 2.807363535000000 5.692152325000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.581496230000002 Atomic positions (fractional): 1 N 0.15171650291124 0.34828349708876 0.25000000000000 14.007 2 N 0.34828349708876 0.15171650291124 0.75000000000000 14.007 3 N 0.84828349708876 0.65171650291124 0.75000000000000 14.007 4 N 0.65171650291124 0.84828349708876 0.25000000000000 14.007 5 N 0.10189510081436 0.89810489918564 0.41874325329025 14.007 6 N 0.60189510081436 0.39810489918564 0.08125674670975 14.007 7 N 0.39810489918564 0.60189510081436 0.91874325329025 14.007 8 N 0.89810489918564 0.10189510081436 0.58125674670975 14.007 9 Si 0.95052883558520 0.04947116441480 0.35957186650691 28.085 10 Si 0.54947116441480 0.45052883558520 0.85957186650691 28.085 11 Si 0.04947116441480 0.95052883558520 0.64042813349309 28.085 12 Si 0.45052883558520 0.54947116441480 0.14042813349309 28.085 13 Ba 0.16481425911548 0.83518574088452 0.06444320067663 137.327 14 Ba 0.83518574088452 0.16481425911548 0.93555679932337 137.327 15 Ba 0.33518574088452 0.66481425911548 0.56444320067663 137.327 16 Ba 0.66481425911548 0.33518574088452 0.43555679932337 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.229454140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.384304650000001 0.000000000000000 c 0.000000000000000 0.000000000000000 15.162992460000003 Atomic positions (fractional): 1 N 0.12500000000000 0.09828349708876 0.12500000000000 14.007 > 1 2 N 0.62500000000000 0.09828349708876 0.12500000000000 14.007 > 1 3 N 0.12500000000000 0.09828349708876 0.62500000000000 14.007 > 1 4 N 0.62500000000000 0.09828349708876 0.62500000000000 14.007 > 1 5 N 0.37500000000000 0.40171650291124 0.37500000000000 14.007 > 5 6 N 0.87500000000000 0.40171650291124 0.37500000000000 14.007 > 5 7 N 0.37500000000000 0.40171650291124 0.87500000000000 14.007 > 5 8 N 0.87500000000000 0.40171650291124 0.87500000000000 14.007 > 5 9 N 0.12500000000000 0.40171650291124 0.37500000000000 14.007 > 9 10 N 0.62500000000000 0.40171650291124 0.37500000000000 14.007 > 9 11 N 0.12500000000000 0.40171650291124 0.87500000000000 14.007 > 9 12 N 0.62500000000000 0.40171650291124 0.87500000000000 14.007 > 9 13 N 0.37500000000000 0.09828349708876 0.12500000000000 14.007 > 13 14 N 0.87500000000000 0.09828349708876 0.12500000000000 14.007 > 13 15 N 0.37500000000000 0.09828349708876 0.62500000000000 14.007 > 13 16 N 0.87500000000000 0.09828349708876 0.62500000000000 14.007 > 13 17 N 0.25000000000000 0.39810489918564 0.20937162664513 14.007 > 17 18 N 0.75000000000000 0.39810489918564 0.20937162664513 14.007 > 17 19 N 0.25000000000000 0.39810489918564 0.70937162664513 14.007 > 17 20 N 0.75000000000000 0.39810489918564 0.70937162664513 14.007 > 17 21 N 0.00000000000000 0.39810489918564 0.04062837335487 14.007 > 21 22 N 0.50000000000000 0.39810489918564 0.04062837335487 14.007 > 21 23 N 0.00000000000000 0.39810489918564 0.54062837335487 14.007 > 21 24 N 0.50000000000000 0.39810489918564 0.54062837335487 14.007 > 21 25 N 0.25000000000000 0.10189510081436 0.45937162664513 14.007 > 25 26 N 0.75000000000000 0.10189510081436 0.45937162664513 14.007 > 25 27 N 0.25000000000000 0.10189510081436 0.95937162664513 14.007 > 25 28 N 0.75000000000000 0.10189510081436 0.95937162664513 14.007 > 25 29 N 0.00000000000000 0.10189510081436 0.29062837335487 14.007 > 29 30 N 0.50000000000000 0.10189510081436 0.29062837335487 14.007 > 29 31 N 0.00000000000000 0.10189510081436 0.79062837335487 14.007 > 29 32 N 0.50000000000000 0.10189510081436 0.79062837335487 14.007 > 29 33 N 0.37500000000000 0.59828349708876 0.12500000000000 14.007 > 1 34 N 0.87500000000000 0.59828349708876 0.12500000000000 14.007 > 1 35 N 0.37500000000000 0.59828349708876 0.62500000000000 14.007 > 1 36 N 0.87500000000000 0.59828349708876 0.62500000000000 14.007 > 1 37 N 0.12500000000000 0.90171650291124 0.37500000000000 14.007 > 5 38 N 0.62500000000000 0.90171650291124 0.37500000000000 14.007 > 5 39 N 0.12500000000000 0.90171650291124 0.87500000000000 14.007 > 5 40 N 0.62500000000000 0.90171650291124 0.87500000000000 14.007 > 5 41 N 0.37500000000000 0.90171650291124 0.37500000000000 14.007 > 9 42 N 0.87500000000000 0.90171650291124 0.37500000000000 14.007 > 9 43 N 0.37500000000000 0.90171650291124 0.87500000000000 14.007 > 9 44 N 0.87500000000000 0.90171650291124 0.87500000000000 14.007 > 9 45 N 0.12500000000000 0.59828349708876 0.12500000000000 14.007 > 13 46 N 0.62500000000000 0.59828349708876 0.12500000000000 14.007 > 13 47 N 0.12500000000000 0.59828349708876 0.62500000000000 14.007 > 13 48 N 0.62500000000000 0.59828349708876 0.62500000000000 14.007 > 13 49 N 0.00000000000000 0.89810489918564 0.20937162664513 14.007 > 17 50 N 0.50000000000000 0.89810489918564 0.20937162664513 14.007 > 17 51 N 0.00000000000000 0.89810489918564 0.70937162664513 14.007 > 17 52 N 0.50000000000000 0.89810489918564 0.70937162664513 14.007 > 17 53 N 0.25000000000000 0.89810489918564 0.04062837335487 14.007 > 21 54 N 0.75000000000000 0.89810489918564 0.04062837335487 14.007 > 21 55 N 0.25000000000000 0.89810489918564 0.54062837335487 14.007 > 21 56 N 0.75000000000000 0.89810489918564 0.54062837335487 14.007 > 21 57 N 0.00000000000000 0.60189510081436 0.45937162664513 14.007 > 25 58 N 0.50000000000000 0.60189510081436 0.45937162664513 14.007 > 25 59 N 0.00000000000000 0.60189510081436 0.95937162664513 14.007 > 25 60 N 0.50000000000000 0.60189510081436 0.95937162664513 14.007 > 25 61 N 0.25000000000000 0.60189510081436 0.29062837335487 14.007 > 29 62 N 0.75000000000000 0.60189510081436 0.29062837335487 14.007 > 29 63 N 0.25000000000000 0.60189510081436 0.79062837335487 14.007 > 29 64 N 0.75000000000000 0.60189510081436 0.79062837335487 14.007 > 29 65 Si 0.00000000000000 0.04947116441480 0.17978593325346 28.085 > 65 66 Si 0.50000000000000 0.04947116441480 0.17978593325346 28.085 > 65 67 Si 0.00000000000000 0.04947116441480 0.67978593325346 28.085 > 65 68 Si 0.50000000000000 0.04947116441480 0.67978593325346 28.085 > 65 69 Si 0.00000000000000 0.45052883558520 0.42978593325346 28.085 > 69 70 Si 0.50000000000000 0.45052883558520 0.42978593325346 28.085 > 69 71 Si 0.00000000000000 0.45052883558520 0.92978593325346 28.085 > 69 72 Si 0.50000000000000 0.45052883558520 0.92978593325346 28.085 > 69 73 Si 0.25000000000000 0.45052883558520 0.32021406674654 28.085 > 73 74 Si 0.75000000000000 0.45052883558520 0.32021406674654 28.085 > 73 75 Si 0.25000000000000 0.45052883558520 0.82021406674654 28.085 > 73 76 Si 0.75000000000000 0.45052883558520 0.82021406674654 28.085 > 73 77 Si 0.25000000000000 0.04947116441480 0.07021406674654 28.085 > 77 78 Si 0.75000000000000 0.04947116441480 0.07021406674654 28.085 > 77 79 Si 0.25000000000000 0.04947116441480 0.57021406674654 28.085 > 77 80 Si 0.75000000000000 0.04947116441480 0.57021406674654 28.085 > 77 81 Si 0.25000000000000 0.54947116441480 0.17978593325346 28.085 > 65 82 Si 0.75000000000000 0.54947116441480 0.17978593325346 28.085 > 65 83 Si 0.25000000000000 0.54947116441480 0.67978593325346 28.085 > 65 84 Si 0.75000000000000 0.54947116441480 0.67978593325346 28.085 > 65 85 Si 0.25000000000000 0.95052883558520 0.42978593325346 28.085 > 69 86 Si 0.75000000000000 0.95052883558520 0.42978593325346 28.085 > 69 87 Si 0.25000000000000 0.95052883558520 0.92978593325346 28.085 > 69 88 Si 0.75000000000000 0.95052883558520 0.92978593325346 28.085 > 69 89 Si 0.00000000000000 0.95052883558520 0.32021406674654 28.085 > 73 90 Si 0.50000000000000 0.95052883558520 0.32021406674654 28.085 > 73 91 Si 0.00000000000000 0.95052883558520 0.82021406674654 28.085 > 73 92 Si 0.50000000000000 0.95052883558520 0.82021406674654 28.085 > 73 93 Si 0.00000000000000 0.54947116441480 0.07021406674654 28.085 > 77 94 Si 0.50000000000000 0.54947116441480 0.07021406674654 28.085 > 77 95 Si 0.00000000000000 0.54947116441480 0.57021406674654 28.085 > 77 96 Si 0.50000000000000 0.54947116441480 0.57021406674654 28.085 > 77 97 Ba 0.25000000000000 0.33518574088452 0.03222160033831 137.327 > 97 98 Ba 0.75000000000000 0.33518574088452 0.03222160033831 137.327 > 97 99 Ba 0.25000000000000 0.33518574088452 0.53222160033831 137.327 > 97 100 Ba 0.75000000000000 0.33518574088452 0.53222160033831 137.327 > 97 101 Ba 0.00000000000000 0.16481425911548 0.46777839966169 137.327 > 101 102 Ba 0.50000000000000 0.16481425911548 0.46777839966169 137.327 > 101 103 Ba 0.00000000000000 0.16481425911548 0.96777839966169 137.327 > 101 104 Ba 0.50000000000000 0.16481425911548 0.96777839966169 137.327 > 101 105 Ba 0.25000000000000 0.16481425911548 0.28222160033831 137.327 > 105 106 Ba 0.75000000000000 0.16481425911548 0.28222160033831 137.327 > 105 107 Ba 0.25000000000000 0.16481425911548 0.78222160033831 137.327 > 105 108 Ba 0.75000000000000 0.16481425911548 0.78222160033831 137.327 > 105 109 Ba 0.00000000000000 0.33518574088452 0.21777839966169 137.327 > 109 110 Ba 0.50000000000000 0.33518574088452 0.21777839966169 137.327 > 109 111 Ba 0.00000000000000 0.33518574088452 0.71777839966169 137.327 > 109 112 Ba 0.50000000000000 0.33518574088452 0.71777839966169 137.327 > 109 113 Ba 0.00000000000000 0.83518574088452 0.03222160033831 137.327 > 97 114 Ba 0.50000000000000 0.83518574088452 0.03222160033831 137.327 > 97 115 Ba 0.00000000000000 0.83518574088452 0.53222160033831 137.327 > 97 116 Ba 0.50000000000000 0.83518574088452 0.53222160033831 137.327 > 97 117 Ba 0.25000000000000 0.66481425911548 0.46777839966169 137.327 > 101 118 Ba 0.75000000000000 0.66481425911548 0.46777839966169 137.327 > 101 119 Ba 0.25000000000000 0.66481425911548 0.96777839966169 137.327 > 101 120 Ba 0.75000000000000 0.66481425911548 0.96777839966169 137.327 > 101 121 Ba 0.00000000000000 0.66481425911548 0.28222160033831 137.327 > 105 122 Ba 0.50000000000000 0.66481425911548 0.28222160033831 137.327 > 105 123 Ba 0.00000000000000 0.66481425911548 0.78222160033831 137.327 > 105 124 Ba 0.50000000000000 0.66481425911548 0.78222160033831 137.327 > 105 125 Ba 0.25000000000000 0.83518574088452 0.21777839966169 137.327 > 109 126 Ba 0.75000000000000 0.83518574088452 0.21777839966169 137.327 > 109 127 Ba 0.25000000000000 0.83518574088452 0.71777839966169 137.327 > 109 128 Ba 0.75000000000000 0.83518574088452 0.71777839966169 137.327 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5905984 0.0000000 0.0000000 0.0000000 5.1850626 0.0000000 0.0000000 0.0000000 5.5640988 -------------------------- Born effective charges -------------------------- 1 N -3.6633931 0.0000000 0.6560347 0.0000000 -1.9220794 0.0000000 0.7683954 0.0000000 -2.9968860 2 N -3.6633931 0.0000000 -0.6560347 0.0000000 -1.9220794 0.0000000 -0.7683954 0.0000000 -2.9968860 3 N -3.6633931 0.0000000 0.6560347 0.0000000 -1.9220794 0.0000000 0.7683954 0.0000000 -2.9968860 4 N -3.6633931 0.0000000 -0.6560347 0.0000000 -1.9220794 0.0000000 -0.7683954 0.0000000 -2.9968860 5 N -2.3107382 0.0000000 0.0000000 0.0000000 -2.9161392 0.0813148 0.0000000 0.1293669 -3.1177073 6 N -2.3107382 0.0000000 0.0000000 0.0000000 -2.9161392 -0.0813148 0.0000000 -0.1293669 -3.1177073 7 N -2.3107382 0.0000000 0.0000000 0.0000000 -2.9161392 -0.0813148 0.0000000 -0.1293669 -3.1177073 8 N -2.3107382 0.0000000 0.0000000 0.0000000 -2.9161392 0.0813148 0.0000000 0.1293669 -3.1177073 9 Si 3.2025776 0.0000000 0.0000000 0.0000000 2.3118927 -0.4947608 0.0000000 -0.5907873 3.0908503 10 Si 3.2025776 0.0000000 0.0000000 0.0000000 2.3118927 0.4947608 0.0000000 0.5907873 3.0908503 11 Si 3.2025776 0.0000000 0.0000000 0.0000000 2.3118927 -0.4947608 0.0000000 -0.5907873 3.0908503 12 Si 3.2025776 0.0000000 0.0000000 0.0000000 2.3118927 0.4947608 0.0000000 0.5907873 3.0908503 13 Ba 2.7715538 0.0000000 0.0000000 0.0000000 2.5263259 0.0643315 0.0000000 0.0956482 3.0237429 14 Ba 2.7715538 0.0000000 0.0000000 0.0000000 2.5263259 0.0643315 0.0000000 0.0956482 3.0237429 15 Ba 2.7715538 0.0000000 0.0000000 0.0000000 2.5263259 -0.0643315 0.0000000 -0.0956482 3.0237429 16 Ba 2.7715538 0.0000000 0.0000000 0.0000000 2.5263259 -0.0643315 0.0000000 -0.0956482 3.0237429 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (xyx) 0.00000002 (xyx) 0.00000002 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xz) -0.00000001 (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 19:46:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:46:48]------------------------- 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 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.807363535000000 -5.692152325000000 0.000000000000000 b 2.807363535000000 5.692152325000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.581496230000002 Atomic positions (fractional): 1 N 0.15171650291124 0.34828349708876 0.25000000000000 14.007 2 N 0.34828349708876 0.15171650291124 0.75000000000000 14.007 3 N 0.84828349708876 0.65171650291124 0.75000000000000 14.007 4 N 0.65171650291124 0.84828349708876 0.25000000000000 14.007 5 N 0.10189510081436 0.89810489918564 0.41874325329025 14.007 6 N 0.60189510081436 0.39810489918564 0.08125674670975 14.007 7 N 0.39810489918564 0.60189510081436 0.91874325329025 14.007 8 N 0.89810489918564 0.10189510081436 0.58125674670975 14.007 9 Si 0.95052883558520 0.04947116441480 0.35957186650691 28.085 10 Si 0.54947116441480 0.45052883558520 0.85957186650691 28.085 11 Si 0.04947116441480 0.95052883558520 0.64042813349309 28.085 12 Si 0.45052883558520 0.54947116441480 0.14042813349309 28.085 13 Ba 0.16481425911548 0.83518574088452 0.06444320067663 137.327 14 Ba 0.83518574088452 0.16481425911548 0.93555679932337 137.327 15 Ba 0.33518574088452 0.66481425911548 0.56444320067663 137.327 16 Ba 0.66481425911548 0.33518574088452 0.43555679932337 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.229454140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.384304650000001 0.000000000000000 c 0.000000000000000 0.000000000000000 15.162992460000003 Atomic positions (fractional): 1 N 0.12500000000000 0.09828349708876 0.12500000000000 14.007 > 1 2 N 0.62500000000000 0.09828349708876 0.12500000000000 14.007 > 1 3 N 0.12500000000000 0.09828349708876 0.62500000000000 14.007 > 1 4 N 0.62500000000000 0.09828349708876 0.62500000000000 14.007 > 1 5 N 0.37500000000000 0.40171650291124 0.37500000000000 14.007 > 5 6 N 0.87500000000000 0.40171650291124 0.37500000000000 14.007 > 5 7 N 0.37500000000000 0.40171650291124 0.87500000000000 14.007 > 5 8 N 0.87500000000000 0.40171650291124 0.87500000000000 14.007 > 5 9 N 0.12500000000000 0.40171650291124 0.37500000000000 14.007 > 9 10 N 0.62500000000000 0.40171650291124 0.37500000000000 14.007 > 9 11 N 0.12500000000000 0.40171650291124 0.87500000000000 14.007 > 9 12 N 0.62500000000000 0.40171650291124 0.87500000000000 14.007 > 9 13 N 0.37500000000000 0.09828349708876 0.12500000000000 14.007 > 13 14 N 0.87500000000000 0.09828349708876 0.12500000000000 14.007 > 13 15 N 0.37500000000000 0.09828349708876 0.62500000000000 14.007 > 13 16 N 0.87500000000000 0.09828349708876 0.62500000000000 14.007 > 13 17 N 0.25000000000000 0.39810489918564 0.20937162664513 14.007 > 17 18 N 0.75000000000000 0.39810489918564 0.20937162664513 14.007 > 17 19 N 0.25000000000000 0.39810489918564 0.70937162664513 14.007 > 17 20 N 0.75000000000000 0.39810489918564 0.70937162664513 14.007 > 17 21 N 0.00000000000000 0.39810489918564 0.04062837335487 14.007 > 21 22 N 0.50000000000000 0.39810489918564 0.04062837335487 14.007 > 21 23 N 0.00000000000000 0.39810489918564 0.54062837335487 14.007 > 21 24 N 0.50000000000000 0.39810489918564 0.54062837335487 14.007 > 21 25 N 0.25000000000000 0.10189510081436 0.45937162664513 14.007 > 25 26 N 0.75000000000000 0.10189510081436 0.45937162664513 14.007 > 25 27 N 0.25000000000000 0.10189510081436 0.95937162664513 14.007 > 25 28 N 0.75000000000000 0.10189510081436 0.95937162664513 14.007 > 25 29 N 0.00000000000000 0.10189510081436 0.29062837335487 14.007 > 29 30 N 0.50000000000000 0.10189510081436 0.29062837335487 14.007 > 29 31 N 0.00000000000000 0.10189510081436 0.79062837335487 14.007 > 29 32 N 0.50000000000000 0.10189510081436 0.79062837335487 14.007 > 29 33 N 0.37500000000000 0.59828349708876 0.12500000000000 14.007 > 1 34 N 0.87500000000000 0.59828349708876 0.12500000000000 14.007 > 1 35 N 0.37500000000000 0.59828349708876 0.62500000000000 14.007 > 1 36 N 0.87500000000000 0.59828349708876 0.62500000000000 14.007 > 1 37 N 0.12500000000000 0.90171650291124 0.37500000000000 14.007 > 5 38 N 0.62500000000000 0.90171650291124 0.37500000000000 14.007 > 5 39 N 0.12500000000000 0.90171650291124 0.87500000000000 14.007 > 5 40 N 0.62500000000000 0.90171650291124 0.87500000000000 14.007 > 5 41 N 0.37500000000000 0.90171650291124 0.37500000000000 14.007 > 9 42 N 0.87500000000000 0.90171650291124 0.37500000000000 14.007 > 9 43 N 0.37500000000000 0.90171650291124 0.87500000000000 14.007 > 9 44 N 0.87500000000000 0.90171650291124 0.87500000000000 14.007 > 9 45 N 0.12500000000000 0.59828349708876 0.12500000000000 14.007 > 13 46 N 0.62500000000000 0.59828349708876 0.12500000000000 14.007 > 13 47 N 0.12500000000000 0.59828349708876 0.62500000000000 14.007 > 13 48 N 0.62500000000000 0.59828349708876 0.62500000000000 14.007 > 13 49 N 0.00000000000000 0.89810489918564 0.20937162664513 14.007 > 17 50 N 0.50000000000000 0.89810489918564 0.20937162664513 14.007 > 17 51 N 0.00000000000000 0.89810489918564 0.70937162664513 14.007 > 17 52 N 0.50000000000000 0.89810489918564 0.70937162664513 14.007 > 17 53 N 0.25000000000000 0.89810489918564 0.04062837335487 14.007 > 21 54 N 0.75000000000000 0.89810489918564 0.04062837335487 14.007 > 21 55 N 0.25000000000000 0.89810489918564 0.54062837335487 14.007 > 21 56 N 0.75000000000000 0.89810489918564 0.54062837335487 14.007 > 21 57 N 0.00000000000000 0.60189510081436 0.45937162664513 14.007 > 25 58 N 0.50000000000000 0.60189510081436 0.45937162664513 14.007 > 25 59 N 0.00000000000000 0.60189510081436 0.95937162664513 14.007 > 25 60 N 0.50000000000000 0.60189510081436 0.95937162664513 14.007 > 25 61 N 0.25000000000000 0.60189510081436 0.29062837335487 14.007 > 29 62 N 0.75000000000000 0.60189510081436 0.29062837335487 14.007 > 29 63 N 0.25000000000000 0.60189510081436 0.79062837335487 14.007 > 29 64 N 0.75000000000000 0.60189510081436 0.79062837335487 14.007 > 29 65 Si 0.00000000000000 0.04947116441480 0.17978593325346 28.085 > 65 66 Si 0.50000000000000 0.04947116441480 0.17978593325346 28.085 > 65 67 Si 0.00000000000000 0.04947116441480 0.67978593325346 28.085 > 65 68 Si 0.50000000000000 0.04947116441480 0.67978593325346 28.085 > 65 69 Si 0.00000000000000 0.45052883558520 0.42978593325346 28.085 > 69 70 Si 0.50000000000000 0.45052883558520 0.42978593325346 28.085 > 69 71 Si 0.00000000000000 0.45052883558520 0.92978593325346 28.085 > 69 72 Si 0.50000000000000 0.45052883558520 0.92978593325346 28.085 > 69 73 Si 0.25000000000000 0.45052883558520 0.32021406674654 28.085 > 73 74 Si 0.75000000000000 0.45052883558520 0.32021406674654 28.085 > 73 75 Si 0.25000000000000 0.45052883558520 0.82021406674654 28.085 > 73 76 Si 0.75000000000000 0.45052883558520 0.82021406674654 28.085 > 73 77 Si 0.25000000000000 0.04947116441480 0.07021406674654 28.085 > 77 78 Si 0.75000000000000 0.04947116441480 0.07021406674654 28.085 > 77 79 Si 0.25000000000000 0.04947116441480 0.57021406674654 28.085 > 77 80 Si 0.75000000000000 0.04947116441480 0.57021406674654 28.085 > 77 81 Si 0.25000000000000 0.54947116441480 0.17978593325346 28.085 > 65 82 Si 0.75000000000000 0.54947116441480 0.17978593325346 28.085 > 65 83 Si 0.25000000000000 0.54947116441480 0.67978593325346 28.085 > 65 84 Si 0.75000000000000 0.54947116441480 0.67978593325346 28.085 > 65 85 Si 0.25000000000000 0.95052883558520 0.42978593325346 28.085 > 69 86 Si 0.75000000000000 0.95052883558520 0.42978593325346 28.085 > 69 87 Si 0.25000000000000 0.95052883558520 0.92978593325346 28.085 > 69 88 Si 0.75000000000000 0.95052883558520 0.92978593325346 28.085 > 69 89 Si 0.00000000000000 0.95052883558520 0.32021406674654 28.085 > 73 90 Si 0.50000000000000 0.95052883558520 0.32021406674654 28.085 > 73 91 Si 0.00000000000000 0.95052883558520 0.82021406674654 28.085 > 73 92 Si 0.50000000000000 0.95052883558520 0.82021406674654 28.085 > 73 93 Si 0.00000000000000 0.54947116441480 0.07021406674654 28.085 > 77 94 Si 0.50000000000000 0.54947116441480 0.07021406674654 28.085 > 77 95 Si 0.00000000000000 0.54947116441480 0.57021406674654 28.085 > 77 96 Si 0.50000000000000 0.54947116441480 0.57021406674654 28.085 > 77 97 Ba 0.25000000000000 0.33518574088452 0.03222160033831 137.327 > 97 98 Ba 0.75000000000000 0.33518574088452 0.03222160033831 137.327 > 97 99 Ba 0.25000000000000 0.33518574088452 0.53222160033831 137.327 > 97 100 Ba 0.75000000000000 0.33518574088452 0.53222160033831 137.327 > 97 101 Ba 0.00000000000000 0.16481425911548 0.46777839966169 137.327 > 101 102 Ba 0.50000000000000 0.16481425911548 0.46777839966169 137.327 > 101 103 Ba 0.00000000000000 0.16481425911548 0.96777839966169 137.327 > 101 104 Ba 0.50000000000000 0.16481425911548 0.96777839966169 137.327 > 101 105 Ba 0.25000000000000 0.16481425911548 0.28222160033831 137.327 > 105 106 Ba 0.75000000000000 0.16481425911548 0.28222160033831 137.327 > 105 107 Ba 0.25000000000000 0.16481425911548 0.78222160033831 137.327 > 105 108 Ba 0.75000000000000 0.16481425911548 0.78222160033831 137.327 > 105 109 Ba 0.00000000000000 0.33518574088452 0.21777839966169 137.327 > 109 110 Ba 0.50000000000000 0.33518574088452 0.21777839966169 137.327 > 109 111 Ba 0.00000000000000 0.33518574088452 0.71777839966169 137.327 > 109 112 Ba 0.50000000000000 0.33518574088452 0.71777839966169 137.327 > 109 113 Ba 0.00000000000000 0.83518574088452 0.03222160033831 137.327 > 97 114 Ba 0.50000000000000 0.83518574088452 0.03222160033831 137.327 > 97 115 Ba 0.00000000000000 0.83518574088452 0.53222160033831 137.327 > 97 116 Ba 0.50000000000000 0.83518574088452 0.53222160033831 137.327 > 97 117 Ba 0.25000000000000 0.66481425911548 0.46777839966169 137.327 > 101 118 Ba 0.75000000000000 0.66481425911548 0.46777839966169 137.327 > 101 119 Ba 0.25000000000000 0.66481425911548 0.96777839966169 137.327 > 101 120 Ba 0.75000000000000 0.66481425911548 0.96777839966169 137.327 > 101 121 Ba 0.00000000000000 0.66481425911548 0.28222160033831 137.327 > 105 122 Ba 0.50000000000000 0.66481425911548 0.28222160033831 137.327 > 105 123 Ba 0.00000000000000 0.66481425911548 0.78222160033831 137.327 > 105 124 Ba 0.50000000000000 0.66481425911548 0.78222160033831 137.327 > 105 125 Ba 0.25000000000000 0.83518574088452 0.21777839966169 137.327 > 109 126 Ba 0.75000000000000 0.83518574088452 0.21777839966169 137.327 > 109 127 Ba 0.25000000000000 0.83518574088452 0.71777839966169 137.327 > 109 128 Ba 0.75000000000000 0.83518574088452 0.71777839966169 137.327 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.5905984 0.0000000 0.0000000 0.0000000 5.1850626 0.0000000 0.0000000 0.0000000 5.5640988 -------------------------- Born effective charges -------------------------- 1 N -3.6633931 0.0000000 0.6560347 0.0000000 -1.9220794 0.0000000 0.7683954 0.0000000 -2.9968860 2 N -3.6633931 0.0000000 -0.6560347 0.0000000 -1.9220794 0.0000000 -0.7683954 0.0000000 -2.9968860 3 N -3.6633931 0.0000000 0.6560347 0.0000000 -1.9220794 0.0000000 0.7683954 0.0000000 -2.9968860 4 N -3.6633931 0.0000000 -0.6560347 0.0000000 -1.9220794 0.0000000 -0.7683954 0.0000000 -2.9968860 5 N -2.3107382 0.0000000 0.0000000 0.0000000 -2.9161392 0.0813148 0.0000000 0.1293669 -3.1177073 6 N -2.3107382 0.0000000 0.0000000 0.0000000 -2.9161392 -0.0813148 0.0000000 -0.1293669 -3.1177073 7 N -2.3107382 0.0000000 0.0000000 0.0000000 -2.9161392 -0.0813148 0.0000000 -0.1293669 -3.1177073 8 N -2.3107382 0.0000000 0.0000000 0.0000000 -2.9161392 0.0813148 0.0000000 0.1293669 -3.1177073 9 Si 3.2025776 0.0000000 0.0000000 0.0000000 2.3118927 -0.4947608 0.0000000 -0.5907873 3.0908503 10 Si 3.2025776 0.0000000 0.0000000 0.0000000 2.3118927 0.4947608 0.0000000 0.5907873 3.0908503 11 Si 3.2025776 0.0000000 0.0000000 0.0000000 2.3118927 -0.4947608 0.0000000 -0.5907873 3.0908503 12 Si 3.2025776 0.0000000 0.0000000 0.0000000 2.3118927 0.4947608 0.0000000 0.5907873 3.0908503 13 Ba 2.7715538 0.0000000 0.0000000 0.0000000 2.5263259 0.0643315 0.0000000 0.0956482 3.0237429 14 Ba 2.7715538 0.0000000 0.0000000 0.0000000 2.5263259 0.0643315 0.0000000 0.0956482 3.0237429 15 Ba 2.7715538 0.0000000 0.0000000 0.0000000 2.5263259 -0.0643315 0.0000000 -0.0956482 3.0237429 16 Ba 2.7715538 0.0000000 0.0000000 0.0000000 2.5263259 -0.0643315 0.0000000 -0.0956482 3.0237429 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xyx) 0.00000002 (xyx) 0.00000002 (xxy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.67, Number of G-points: 307, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/124) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 124 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 2.250 ( 0.000 0.000 0.000) 0.000 2.410 ( 0.000 0.000 0.000) 0.000 2.894 ( 0.000 0.000 0.000) 0.000 2.919 ( 0.000 0.000 0.000) 0.000 2.991 ( 0.000 0.000 0.000) 0.000 3.314 ( 0.000 0.000 0.000) 0.000 3.519 ( 0.000 0.000 0.000) 0.000 3.920 ( 0.000 0.000 0.000) 0.000 3.927 ( 0.000 0.000 0.000) 0.000 4.316 ( 0.000 0.000 0.000) 0.000 4.457 ( 0.000 0.000 0.000) 0.000 4.768 ( 0.000 0.000 0.000) 0.000 5.076 ( 0.000 0.000 0.000) 0.000 6.190 ( 0.000 0.000 0.000) 0.000 6.454 ( 0.000 0.000 0.000) 0.000 6.960 ( 0.000 0.000 0.000) 0.000 7.063 ( 0.000 0.000 0.000) 0.000 8.704 ( 0.000 0.000 0.000) 0.000 9.061 ( 0.000 0.000 0.000) 0.000 9.504 ( 0.000 0.000 0.000) 0.000 10.509 ( 0.000 0.000 0.000) 0.000 10.732 ( 0.000 0.000 0.000) 0.000 11.324 ( 0.000 0.000 0.000) 0.000 12.820 ( 0.000 0.000 0.000) 0.000 12.921 ( 0.000 0.000 0.000) 0.000 13.119 ( 0.000 0.000 0.000) 0.000 13.672 ( 0.000 0.000 0.000) 0.000 14.131 ( 0.000 0.000 0.000) 0.000 15.604 ( 0.000 0.000 0.000) 0.000 16.843 ( 0.000 0.000 0.000) 0.000 19.004 ( 0.000 0.000 0.000) 0.000 19.442 ( 0.000 0.000 0.000) 0.000 19.465 ( 0.000 0.000 0.000) 0.000 20.066 ( 0.000 0.000 0.000) 0.000 20.213 ( 0.000 0.000 0.000) 0.000 20.457 ( 0.000 0.000 0.000) 0.000 22.336 ( 0.000 0.000 0.000) 0.000 22.675 ( 0.000 0.000 0.000) 0.000 22.873 ( 0.000 0.000 0.000) 0.000 23.209 ( 0.000 0.000 0.000) 0.000 23.768 ( 0.000 0.000 0.000) 0.000 28.562 ( 0.000 0.000 0.000) 0.000 28.575 ( 0.000 0.000 0.000) 0.000 30.195 ( 0.000 0.000 0.000) 0.000 31.724 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/124) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.352 ( 15.271 -14.506 0.000) 21.062 0.581 ( 17.356 -29.775 0.000) 34.464 1.274 ( 63.504 -4.505 0.000) 63.663 2.267 ( 0.606 -1.741 0.000) 1.843 2.422 ( 0.372 -2.524 0.000) 2.551 2.899 ( -1.906 1.190 0.000) 2.247 2.918 ( 3.435 1.718 0.000) 3.841 3.040 ( 2.195 0.489 0.000) 2.248 3.252 ( -4.571 3.226 0.000) 5.595 3.481 ( -2.645 2.659 0.000) 3.750 3.874 ( -5.187 -0.264 0.000) 5.194 3.920 ( -0.054 -0.129 0.000) 0.140 4.457 ( -1.131 -7.822 0.000) 7.903 4.767 ( -1.290 -0.924 0.000) 1.586 5.473 ( 43.296 1.105 0.000) 43.310 5.740 ( -9.111 -8.101 0.000) 12.191 6.407 ( -5.318 -0.663 0.000) 5.359 6.617 ( 27.491 5.476 0.000) 28.031 7.013 ( 4.786 -1.410 0.000) 4.990 7.242 ( 18.787 -0.312 0.000) 18.789 8.770 ( 3.975 -3.883 0.000) 5.557 9.116 ( 6.183 -0.625 0.000) 6.215 9.595 ( 9.312 -0.507 0.000) 9.326 10.237 ( -15.161 -0.011 0.000) 15.161 11.099 ( 25.812 -0.392 0.000) 25.815 11.401 ( 8.449 0.344 0.000) 8.456 12.439 ( -31.444 1.597 0.000) 31.485 12.747 ( -8.325 -0.123 0.000) 8.326 13.532 ( 25.349 1.437 0.000) 25.389 13.639 ( -3.217 0.789 0.000) 3.313 15.484 ( 19.987 38.791 0.000) 43.638 15.779 ( 11.410 21.980 0.000) 24.766 16.626 ( -22.460 0.480 0.000) 22.466 18.809 ( -20.165 -0.426 0.000) 20.169 19.432 ( 0.301 2.071 0.000) 2.093 19.458 ( -1.146 -0.771 0.000) 1.381 20.141 ( 7.310 0.731 0.000) 7.347 20.185 ( -0.928 4.177 0.000) 4.279 20.593 ( 12.500 -1.908 0.000) 12.645 22.342 ( 0.666 0.052 0.000) 0.668 22.903 ( -18.564 -27.877 0.000) 33.493 22.909 ( 3.877 -0.130 0.000) 3.880 23.265 ( -34.042 -50.679 0.000) 61.051 23.747 ( -3.509 -2.101 0.000) 4.090 28.673 ( 12.080 -0.064 0.000) 12.080 30.209 ( 1.466 -0.050 0.000) 1.467 30.910 ( 37.701 73.352 0.000) 82.473 31.690 ( -3.477 0.290 0.000) 3.489 ======================= Grid point 2 (3/124) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 21.008 -15.807 0.000) 26.290 1.132 ( 16.409 -26.606 0.000) 31.259 2.266 ( 43.787 -0.614 0.000) 43.791 2.286 ( 0.548 -0.303 0.000) 0.627 2.469 ( 0.802 -4.584 0.000) 4.654 2.823 ( -3.998 3.979 0.000) 5.641 2.968 ( 3.892 3.906 0.000) 5.514 2.989 ( -7.154 -0.867 0.000) 7.206 3.130 ( -5.977 1.475 0.000) 6.156 3.408 ( -1.220 3.213 0.000) 3.437 3.782 ( -5.239 -1.759 0.000) 5.527 3.932 ( 1.183 0.852 0.000) 1.458 4.499 ( -5.237 -13.138 0.000) 14.144 4.713 ( -5.731 -0.643 0.000) 5.767 5.637 ( -3.815 2.815 0.000) 4.741 6.287 ( -8.390 -0.428 0.000) 8.401 6.487 ( 66.044 0.642 0.000) 66.047 7.132 ( 6.111 -2.272 0.000) 6.520 7.285 ( 51.952 7.561 0.000) 52.499 7.694 ( 31.781 0.677 0.000) 31.789 8.825 ( -4.176 -5.037 0.000) 6.543 9.300 ( 13.500 -0.996 0.000) 13.537 9.799 ( 10.981 -1.170 0.000) 11.043 10.115 ( 2.769 -0.731 0.000) 2.864 11.558 ( 24.688 0.489 0.000) 24.692 11.591 ( 12.058 0.255 0.000) 12.060 11.872 ( -29.660 1.557 0.000) 29.701 12.531 ( -15.850 -0.184 0.000) 15.851 13.546 ( -5.931 1.482 0.000) 6.113 13.887 ( 15.513 3.454 0.000) 15.893 15.517 ( 12.381 18.794 0.000) 22.506 15.798 ( 6.199 8.829 0.000) 10.788 16.124 ( -30.558 0.111 0.000) 30.558 18.362 ( -29.471 -0.955 0.000) 29.487 19.425 ( 1.619 3.198 0.000) 3.585 19.440 ( -1.852 -1.587 0.000) 2.439 20.121 ( -0.471 6.532 0.000) 6.548 20.253 ( 5.190 1.472 0.000) 5.395 20.871 ( 15.258 -2.774 0.000) 15.508 22.359 ( 1.956 1.221 0.000) 2.306 22.762 ( -13.385 -3.960 0.000) 13.958 23.003 ( 6.410 0.201 0.000) 6.413 23.065 ( -30.388 -36.689 0.000) 47.640 23.681 ( -6.257 -2.856 0.000) 6.878 28.967 ( 19.742 -0.327 0.000) 19.745 30.239 ( 1.556 0.033 0.000) 1.556 30.952 ( 21.830 37.943 0.000) 43.774 31.602 ( -6.177 -0.239 0.000) 6.182 ======================= Grid point 3 (4/124) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 22.791 -15.698 0.000) 27.674 1.624 ( 14.632 -21.993 0.000) 26.416 2.300 ( 1.250 0.618 0.000) 1.394 2.508 ( -0.666 -3.174 0.000) 3.243 2.645 ( -1.701 7.597 0.000) 7.785 2.791 ( -0.449 2.525 0.000) 2.565 2.862 ( -3.839 -0.380 0.000) 3.858 2.946 ( -0.264 8.439 0.000) 8.443 3.113 ( 9.984 -1.986 0.000) 10.179 3.418 ( 4.060 1.760 0.000) 4.425 3.744 ( -1.789 -5.166 0.000) 5.467 3.937 ( -0.303 -0.762 0.000) 0.820 4.489 ( -7.755 -10.964 0.000) 13.429 4.584 ( -8.395 0.159 0.000) 8.396 5.573 ( 1.015 4.819 0.000) 4.925 6.123 ( -9.820 0.661 0.000) 9.843 7.264 ( 6.914 -2.001 0.000) 7.197 7.596 ( 49.570 0.963 0.000) 49.579 8.115 ( 39.879 2.408 0.000) 39.951 8.446 ( 54.105 3.753 0.000) 54.235 8.799 ( 8.501 -3.320 0.000) 9.127 9.586 ( 16.154 -1.122 0.000) 16.193 9.929 ( -0.134 -1.705 0.000) 1.711 10.318 ( 16.221 -1.592 0.000) 16.299 11.378 ( -22.949 0.890 0.000) 22.967 11.786 ( 5.641 -0.615 0.000) 5.674 11.935 ( 17.577 1.164 0.000) 17.616 12.211 ( -18.123 -0.741 0.000) 18.138 13.413 ( -6.900 1.702 0.000) 7.106 13.959 ( -4.916 5.047 0.000) 7.046 15.586 ( 9.726 12.441 0.000) 15.792 15.659 ( -18.780 -1.028 0.000) 18.808 15.873 ( 9.495 2.541 0.000) 9.830 17.805 ( -33.544 -1.191 0.000) 33.565 19.424 ( -1.942 -2.620 0.000) 3.261 19.429 ( 2.284 4.144 0.000) 4.732 20.070 ( 1.628 6.653 0.000) 6.850 20.281 ( -0.727 1.077 0.000) 1.299 21.169 ( 15.265 -3.057 0.000) 15.568 22.392 ( 4.444 4.136 0.000) 6.071 22.495 ( -16.207 3.490 0.000) 16.578 22.858 ( -25.761 -30.497 0.000) 39.921 23.122 ( 7.188 0.917 0.000) 7.247 23.580 ( -7.636 -2.899 0.000) 8.168 29.348 ( 21.605 -0.894 0.000) 21.624 30.249 ( -0.774 0.387 0.000) 0.865 31.021 ( 17.078 25.254 0.000) 30.486 31.483 ( -8.215 -2.173 0.000) 8.497 ======================= Grid point 4 (5/124) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 20.256 -13.295 0.000) 24.229 2.023 ( 10.860 -15.791 0.000) 19.166 2.314 ( 0.894 1.720 0.000) 1.938 2.499 ( -2.323 -1.821 0.000) 2.952 2.530 ( -2.273 5.870 0.000) 6.295 2.600 ( -13.631 1.613 0.000) 13.726 2.797 ( -3.786 0.106 0.000) 3.788 2.848 ( -0.340 10.800 0.000) 10.805 3.348 ( 10.965 2.573 0.000) 11.262 3.460 ( 1.105 0.818 0.000) 1.374 3.820 ( 3.698 -6.423 0.000) 7.411 3.946 ( -0.156 -1.870 0.000) 1.876 4.424 ( -7.669 -6.679 0.000) 10.170 4.441 ( -6.016 1.359 0.000) 6.168 5.603 ( 6.064 2.492 0.000) 6.556 5.931 ( -10.440 1.552 0.000) 10.555 7.429 ( 10.410 -1.258 0.000) 10.486 7.895 ( -7.805 0.422 0.000) 7.816 8.743 ( 34.174 1.297 0.000) 34.199 9.207 ( 41.817 -1.373 0.000) 41.839 9.620 ( 59.728 2.728 0.000) 59.790 9.751 ( -16.354 -0.984 0.000) 16.384 9.842 ( 4.652 -1.012 0.000) 4.761 10.652 ( 19.836 -0.378 0.000) 19.840 11.016 ( -20.637 -1.063 0.000) 20.664 11.578 ( -27.310 -1.390 0.000) 27.346 12.116 ( 4.084 -1.137 0.000) 4.240 12.146 ( 7.466 1.572 0.000) 7.630 13.302 ( -3.091 0.819 0.000) 3.198 13.660 ( -19.774 4.233 0.000) 20.222 15.507 ( -1.515 -1.648 0.000) 2.239 15.604 ( 1.723 6.673 0.000) 6.892 16.142 ( 22.406 1.179 0.000) 22.437 17.205 ( -34.493 -1.065 0.000) 34.510 19.419 ( -1.797 -3.864 0.000) 4.262 19.431 ( 2.246 4.816 0.000) 5.314 20.071 ( 4.428 5.243 0.000) 6.863 20.222 ( -5.143 -0.623 0.000) 5.181 21.473 ( 16.046 -3.168 0.000) 16.355 22.152 ( -18.213 3.580 0.000) 18.561 22.449 ( 8.461 8.712 0.000) 12.145 22.683 ( -19.680 -21.869 0.000) 29.420 23.239 ( 7.206 1.647 0.000) 7.392 23.466 ( -7.806 -2.650 0.000) 8.243 29.723 ( 18.547 -1.488 0.000) 18.606 30.188 ( -5.775 1.023 0.000) 5.865 31.115 ( 14.401 17.348 0.000) 22.546 31.353 ( -10.147 -5.812 0.000) 11.694 ======================= Grid point 5 (6/124) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 1.322 -4.964 0.000) 5.137 2.256 ( -1.322 4.964 0.000) 5.137 2.294 ( -13.635 6.332 0.000) 15.034 2.294 ( 13.635 -6.332 0.000) 15.034 2.483 ( -0.979 -2.764 0.000) 2.932 2.483 ( 0.979 2.764 0.000) 2.932 2.773 ( -2.005 -7.724 0.000) 7.980 2.773 ( 2.005 7.724 0.000) 7.980 3.445 ( -3.713 -2.668 0.000) 4.572 3.445 ( 3.713 2.668 0.000) 4.572 3.929 ( 2.997 -1.696 0.000) 3.443 3.929 ( -2.997 1.696 0.000) 3.443 4.375 ( -1.415 -3.202 0.000) 3.501 4.375 ( 1.415 3.202 0.000) 3.501 5.738 ( -9.530 0.636 0.000) 9.552 5.738 ( 9.530 -0.636 0.000) 9.552 7.660 ( -14.209 0.641 0.000) 14.224 7.660 ( 14.209 -0.641 0.000) 14.224 9.311 ( -30.239 -1.159 0.000) 30.261 9.311 ( 30.239 1.159 0.000) 30.261 9.779 ( -16.987 0.662 0.000) 17.000 9.779 ( 16.987 -0.662 0.000) 17.000 10.514 ( -40.332 -2.133 0.000) 40.388 10.514 ( 40.332 2.133 0.000) 40.388 11.066 ( -28.135 -1.387 0.000) 28.169 11.066 ( 28.135 1.387 0.000) 28.169 12.186 ( 0.905 -1.483 0.000) 1.737 12.186 ( -0.905 1.483 0.000) 1.737 13.348 ( -9.485 1.542 0.000) 9.609 13.348 ( 9.485 -1.542 0.000) 9.609 15.550 ( 2.323 -3.027 0.000) 3.816 15.550 ( -2.323 3.027 0.000) 3.816 16.620 ( -31.312 -0.979 0.000) 31.327 16.620 ( 31.312 0.979 0.000) 31.327 19.425 ( -1.927 -4.769 0.000) 5.144 19.425 ( 1.927 4.769 0.000) 5.144 20.132 ( -6.199 -3.015 0.000) 6.893 20.132 ( 6.199 3.015 0.000) 6.893 21.800 ( -17.567 3.269 0.000) 17.868 21.800 ( 17.567 -3.269 0.000) 17.868 22.544 ( -13.776 -14.599 0.000) 20.073 22.544 ( 13.776 14.599 0.000) 20.073 23.352 ( -7.431 -2.225 0.000) 7.757 23.352 ( 7.431 2.225 0.000) 7.757 30.015 ( -12.445 1.564 0.000) 12.543 30.015 ( 12.445 -1.564 0.000) 12.543 31.227 ( -12.193 -11.009 0.000) 16.428 31.227 ( 12.193 11.009 0.000) 16.428 ======================= Grid point 12 (7/124) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 23.714 -0.000 0.000) 23.714 0.847 ( 23.390 -0.000 0.000) 23.390 2.270 ( 47.668 -0.000 0.000) 47.668 2.294 ( 2.714 -0.000 0.000) 2.714 2.414 ( 0.309 -0.000 0.000) 0.309 2.857 ( -3.379 0.000 0.000) 3.379 2.968 ( -8.836 0.000 0.000) 8.836 3.005 ( 4.875 -0.000 0.000) 4.875 3.171 ( -6.309 0.000 0.000) 6.309 3.437 ( -2.581 0.000 0.000) 2.581 3.767 ( -5.973 0.000 0.000) 5.973 3.939 ( 0.670 -0.000 0.000) 0.670 4.354 ( -3.567 0.000 0.000) 3.567 4.707 ( -5.294 0.000 0.000) 5.294 5.659 ( -1.990 0.000 0.000) 1.990 6.284 ( -7.887 0.000 0.000) 7.887 6.493 ( 65.907 -0.000 0.000) 65.907 7.111 ( 6.448 -0.000 0.000) 6.448 7.363 ( 49.521 -0.000 0.000) 49.521 7.704 ( 33.508 -0.000 0.000) 33.508 8.765 ( -3.696 0.000 0.000) 3.696 9.290 ( 13.551 -0.000 0.000) 13.551 9.788 ( 10.892 -0.000 0.000) 10.892 10.108 ( 2.124 -0.000 0.000) 2.124 11.562 ( 24.966 -0.000 0.000) 24.966 11.594 ( 11.994 -0.000 0.000) 11.994 11.886 ( -30.411 0.000 0.000) 30.411 12.530 ( -15.979 0.000 0.000) 15.979 13.560 ( -5.994 0.000 0.000) 5.994 13.918 ( 15.772 -0.000 0.000) 15.772 15.668 ( 5.239 -0.000 0.000) 5.239 15.945 ( -2.833 0.000 0.000) 2.833 16.125 ( -31.048 0.000 0.000) 31.048 18.353 ( -29.502 0.000 0.000) 29.502 19.427 ( -1.944 0.000 0.000) 1.944 19.455 ( 1.432 -0.000 0.000) 1.432 20.220 ( 0.599 -0.000 0.000) 0.599 20.268 ( 5.179 -0.000 0.000) 5.179 20.844 ( 15.508 -0.000 0.000) 15.508 22.370 ( 2.672 -0.000 0.000) 2.672 22.492 ( -9.275 0.000 0.000) 9.275 22.873 ( -16.547 0.000 0.000) 16.547 23.005 ( 6.655 -0.000 0.000) 6.655 23.656 ( -5.807 0.000 0.000) 5.807 28.964 ( 19.637 -0.000 0.000) 19.637 30.240 ( 1.639 -0.000 0.000) 1.639 31.345 ( 3.738 -0.000 0.000) 3.738 31.600 ( -6.699 0.000 0.000) 6.699 ======================= Grid point 13 (8/124) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 25.814 -6.970 0.000) 26.739 1.304 ( 20.655 -11.315 0.000) 23.551 2.337 ( 3.097 3.003 0.000) 4.314 2.440 ( 0.267 -3.907 0.000) 3.916 2.747 ( -3.185 3.158 0.000) 4.485 2.775 ( -11.388 -1.066 0.000) 11.438 2.937 ( 14.554 4.114 0.000) 15.124 3.055 ( 1.655 3.404 0.000) 3.785 3.096 ( 8.427 -0.111 0.000) 8.428 3.438 ( 3.884 0.577 0.000) 3.927 3.677 ( -4.684 -2.068 0.000) 5.120 3.925 ( -2.137 -0.476 0.000) 2.190 4.315 ( -4.913 -6.659 0.000) 8.276 4.584 ( -8.027 -0.072 0.000) 8.027 5.631 ( -0.017 1.683 0.000) 1.683 6.132 ( -8.964 0.305 0.000) 8.969 7.239 ( 7.650 -0.806 0.000) 7.692 7.609 ( 49.788 0.434 0.000) 49.790 8.144 ( 36.935 0.822 0.000) 36.944 8.538 ( 55.914 5.623 0.000) 56.196 8.715 ( 8.512 -5.291 0.000) 10.022 9.571 ( 16.419 -0.469 0.000) 16.425 9.908 ( -0.041 -0.639 0.000) 0.640 10.294 ( 16.272 -0.833 0.000) 16.293 11.390 ( -24.162 0.415 0.000) 24.165 11.777 ( 5.313 -0.274 0.000) 5.320 11.950 ( 17.828 0.448 0.000) 17.834 12.202 ( -18.421 -0.249 0.000) 18.422 13.434 ( -7.410 0.617 0.000) 7.436 14.021 ( -5.349 1.872 0.000) 5.667 15.646 ( -19.327 -0.401 0.000) 19.332 15.781 ( 7.924 8.316 0.000) 11.487 15.888 ( 1.866 -1.227 0.000) 2.233 17.790 ( -33.407 -0.484 0.000) 33.410 19.392 ( -2.309 -0.950 0.000) 2.497 19.482 ( 2.251 1.609 0.000) 2.767 20.207 ( 1.863 6.494 0.000) 6.756 20.300 ( -1.227 0.754 0.000) 1.440 21.127 ( 15.491 -1.367 0.000) 15.552 22.386 ( -12.689 -16.615 0.000) 20.906 22.442 ( 6.269 1.479 0.000) 6.441 22.550 ( -18.899 0.803 0.000) 18.916 23.133 ( 7.541 0.327 0.000) 7.548 23.544 ( -7.164 -1.125 0.000) 7.252 29.338 ( 21.409 -0.258 0.000) 21.410 30.253 ( -0.484 0.130 0.000) 0.501 31.366 ( 6.081 11.457 0.000) 12.970 31.456 ( -9.774 -0.798 0.000) 9.806 ======================= Grid point 14 (9/124) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 23.597 -9.406 0.000) 25.402 1.745 ( 15.904 -13.561 0.000) 20.901 2.354 ( 1.829 3.005 0.000) 3.518 2.464 ( -1.061 -2.361 0.000) 2.588 2.574 ( -11.101 -1.268 0.000) 11.173 2.640 ( -4.242 4.552 0.000) 6.222 2.871 ( -4.957 5.176 0.000) 7.166 3.022 ( 1.122 7.793 0.000) 7.873 3.422 ( 16.594 5.287 0.000) 17.416 3.492 ( 0.329 3.062 0.000) 3.080 3.694 ( 3.867 -7.503 0.000) 8.441 3.897 ( -2.073 -3.475 0.000) 4.047 4.285 ( -5.168 -7.670 0.000) 9.249 4.451 ( -5.981 0.021 0.000) 5.981 5.643 ( 3.530 1.837 0.000) 3.979 5.957 ( -10.030 1.221 0.000) 10.104 7.409 ( 10.974 -0.907 0.000) 11.011 7.898 ( -8.447 0.055 0.000) 8.447 8.761 ( 33.866 0.763 0.000) 33.875 9.187 ( 42.266 -0.813 0.000) 42.274 9.666 ( 59.723 2.209 0.000) 59.763 9.738 ( -18.092 -0.507 0.000) 18.099 9.824 ( 7.678 -0.874 0.000) 7.727 10.640 ( 21.247 -0.741 0.000) 21.260 11.005 ( -21.629 -0.290 0.000) 21.631 11.558 ( -27.787 -0.899 0.000) 27.802 12.099 ( 3.820 -0.748 0.000) 3.892 12.170 ( 7.473 0.988 0.000) 7.538 13.312 ( -4.672 0.346 0.000) 4.685 13.720 ( -22.038 2.413 0.000) 22.169 15.483 ( -1.791 -0.975 0.000) 2.039 15.717 ( -3.565 5.431 0.000) 6.497 16.151 ( 22.359 -0.048 0.000) 22.359 17.188 ( -34.324 -0.744 0.000) 34.332 19.364 ( -2.313 -2.238 0.000) 3.219 19.502 ( 2.265 3.057 0.000) 3.805 20.192 ( 3.700 7.515 0.000) 8.377 20.224 ( -5.991 0.583 0.000) 6.019 21.423 ( 16.046 -2.285 0.000) 16.208 22.191 ( -20.057 -0.878 0.000) 20.076 22.325 ( -10.916 -15.223 0.000) 18.733 22.571 ( 11.489 4.912 0.000) 12.495 23.262 ( 7.469 0.894 0.000) 7.522 23.425 ( -7.431 -1.768 0.000) 7.638 29.703 ( 18.478 -0.700 0.000) 18.492 30.203 ( -5.189 0.658 0.000) 5.231 31.269 ( -13.323 -3.524 0.000) 13.781 31.380 ( 6.999 11.660 0.000) 13.599 ======================= Grid point 15 (10/124) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 9.228 -11.493 0.000) 14.739 2.121 ( 18.932 -9.163 0.000) 21.033 2.339 ( -1.430 2.361 0.000) 2.760 2.379 ( -11.634 1.809 0.000) 11.774 2.454 ( -0.912 -0.653 0.000) 1.122 2.551 ( -0.673 4.631 0.000) 4.679 2.745 ( -4.179 3.309 0.000) 5.330 2.970 ( 2.999 12.442 0.000) 12.798 3.426 ( -4.425 0.342 0.000) 4.438 3.523 ( 1.817 6.137 0.000) 6.401 3.868 ( 6.636 -4.890 0.000) 8.242 3.919 ( 0.106 -2.918 0.000) 2.920 4.294 ( 0.481 -5.383 0.000) 5.405 4.399 ( 0.671 -0.254 0.000) 0.717 5.735 ( 7.751 0.154 0.000) 7.753 5.757 ( -10.813 1.357 0.000) 10.898 7.647 ( 14.424 -0.827 0.000) 14.448 7.667 ( -13.884 0.158 0.000) 13.885 9.292 ( -30.334 -0.967 0.000) 30.349 9.330 ( 30.173 0.894 0.000) 30.186 9.768 ( 17.885 -0.615 0.000) 17.896 9.790 ( -15.818 0.463 0.000) 15.825 10.486 ( -40.308 -0.989 0.000) 40.320 10.557 ( 40.259 2.552 0.000) 40.339 11.039 ( -27.768 -1.510 0.000) 27.809 11.084 ( 28.999 0.705 0.000) 29.008 12.161 ( 0.660 -1.238 0.000) 1.403 12.210 ( -1.224 1.175 0.000) 1.697 13.319 ( 6.554 -1.592 0.000) 6.745 13.370 ( -12.303 0.941 0.000) 12.339 15.503 ( 0.557 -2.161 0.000) 2.232 15.603 ( -4.600 2.763 0.000) 5.366 16.602 ( -31.545 -0.967 0.000) 31.560 16.634 ( 31.218 0.541 0.000) 31.223 19.349 ( -2.257 -3.590 0.000) 4.241 19.506 ( 1.652 4.106 0.000) 4.426 20.104 ( -6.633 -0.383 0.000) 6.644 20.211 ( 4.790 5.637 0.000) 7.398 21.742 ( 17.155 -3.082 0.000) 17.430 21.846 ( -18.003 1.555 0.000) 18.070 22.284 ( -8.083 -13.858 0.000) 16.043 22.767 ( 18.082 10.291 0.000) 20.805 23.313 ( -7.094 -2.027 0.000) 7.378 23.385 ( 7.671 1.492 0.000) 7.815 29.992 ( 12.729 -1.047 0.000) 12.772 30.044 ( -11.805 1.604 0.000) 11.913 31.048 ( -17.331 -8.779 0.000) 19.428 31.411 ( 6.769 9.205 0.000) 11.426 ======================= Grid point 16 (11/124) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( -15.839 9.895 0.000) 18.676 2.232 ( -6.565 7.017 0.000) 9.609 2.267 ( 2.805 -4.476 0.000) 5.283 2.439 ( 3.833 -4.389 0.000) 5.828 2.511 ( 10.231 -5.965 0.000) 11.843 2.534 ( 1.606 2.261 0.000) 2.773 2.704 ( 0.130 -3.705 0.000) 3.707 2.928 ( 5.901 13.048 0.000) 14.320 3.334 ( -6.307 0.713 0.000) 6.347 3.455 ( -4.790 0.097 0.000) 4.791 3.908 ( -1.173 3.442 0.000) 3.636 3.960 ( 1.284 -0.174 0.000) 1.296 4.404 ( 7.371 -2.693 0.000) 7.847 4.489 ( 8.620 0.371 0.000) 8.628 5.568 ( -9.520 -1.195 0.000) 9.594 5.907 ( 10.577 -1.102 0.000) 10.634 7.449 ( -9.656 0.949 0.000) 9.703 7.883 ( 7.397 -0.815 0.000) 7.441 8.718 ( -34.588 -1.361 0.000) 34.614 9.232 ( -40.988 1.418 0.000) 41.012 9.579 ( -60.294 -1.757 0.000) 60.320 9.772 ( 15.532 1.299 0.000) 15.587 9.855 ( -2.258 0.359 0.000) 2.286 10.650 ( -18.323 -0.508 0.000) 18.330 11.043 ( 19.217 1.913 0.000) 19.312 11.603 ( 26.856 1.295 0.000) 26.887 12.118 ( -7.443 -1.560 0.000) 7.605 12.136 ( -4.307 1.080 0.000) 4.441 13.285 ( 1.293 -1.067 0.000) 1.676 13.579 ( 17.012 -4.697 0.000) 17.648 15.498 ( -5.453 -5.113 0.000) 7.476 15.538 ( 1.007 1.716 0.000) 1.989 16.114 ( -23.607 -1.761 0.000) 23.673 17.222 ( 34.709 0.866 0.000) 34.720 19.345 ( -2.282 -4.564 0.000) 5.102 19.492 ( 1.094 4.181 0.000) 4.322 20.017 ( -3.495 -1.112 0.000) 3.668 20.252 ( 3.604 2.808 0.000) 4.569 21.525 ( -16.090 2.505 0.000) 16.283 22.083 ( 17.415 -3.945 0.000) 17.857 22.280 ( -4.182 -9.968 0.000) 10.810 23.033 ( 25.210 17.194 0.000) 30.515 23.207 ( -6.765 -1.866 0.000) 7.018 23.511 ( 8.322 2.263 0.000) 8.624 29.756 ( -18.372 2.241 0.000) 18.508 30.170 ( 6.290 -0.980 0.000) 6.366 30.811 ( -21.527 -16.211 0.000) 26.949 31.460 ( 6.242 5.966 0.000) 8.635 ======================= Grid point 17 (12/124) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -19.786 16.244 0.000) 25.600 1.975 ( -10.657 15.616 0.000) 18.906 2.310 ( 1.294 0.956 0.000) 1.609 2.524 ( 2.198 -5.134 0.000) 5.584 2.543 ( 0.529 0.855 0.000) 1.006 2.691 ( -0.561 -6.498 0.000) 6.522 2.795 ( 3.257 -7.250 0.000) 7.949 2.979 ( 10.962 10.908 0.000) 15.465 3.168 ( -7.989 4.476 0.000) 9.157 3.374 ( -5.670 -3.241 0.000) 6.531 3.844 ( -0.288 5.805 0.000) 5.813 3.948 ( -1.647 0.496 0.000) 1.720 4.576 ( 9.503 -0.705 0.000) 9.529 4.644 ( 10.351 5.632 0.000) 11.784 5.471 ( -4.168 -6.277 0.000) 7.535 6.112 ( 11.093 -0.588 0.000) 11.109 7.303 ( -5.708 2.227 0.000) 6.127 7.578 ( -49.218 -0.909 0.000) 49.227 8.066 ( -44.009 -2.807 0.000) 44.099 8.411 ( -54.716 -0.443 0.000) 54.718 8.827 ( -5.524 0.120 0.000) 5.525 9.607 ( -15.765 1.232 0.000) 15.813 9.964 ( 0.460 2.080 0.000) 2.131 10.342 ( -15.975 0.981 0.000) 16.005 11.364 ( 20.818 -0.623 0.000) 20.827 11.796 ( -6.330 0.506 0.000) 6.350 11.911 ( -17.236 -1.441 0.000) 17.296 12.228 ( 17.806 1.175 0.000) 17.845 13.378 ( 6.306 -2.155 0.000) 6.664 13.854 ( 4.233 -6.597 0.000) 7.838 15.384 ( -14.684 -9.897 0.000) 17.708 15.680 ( 17.885 1.227 0.000) 17.927 15.815 ( -12.937 -3.743 0.000) 13.467 17.828 ( 33.794 1.306 0.000) 33.820 19.347 ( -2.242 -4.903 0.000) 5.391 19.479 ( 1.405 3.507 0.000) 3.779 20.004 ( 1.015 -0.986 0.000) 1.415 20.272 ( -0.361 0.184 0.000) 0.405 21.224 ( -15.117 3.026 0.000) 15.417 22.303 ( -1.209 -5.710 0.000) 5.837 22.421 ( 15.939 -4.648 0.000) 16.603 23.102 ( -6.554 -1.262 0.000) 6.674 23.356 ( 31.185 24.232 0.000) 39.493 23.642 ( 9.676 4.217 0.000) 10.555 29.372 ( -21.919 1.826 0.000) 21.995 30.240 ( 1.201 -0.562 0.000) 1.326 30.563 ( -27.077 -25.123 0.000) 36.937 31.528 ( 5.693 2.845 0.000) 6.364 ======================= Grid point 18 (13/124) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -18.680 19.037 0.000) 26.671 1.594 ( -13.261 22.254 0.000) 25.905 2.321 ( 2.389 3.415 0.000) 4.168 2.337 ( -28.715 8.051 0.000) 29.823 2.531 ( -0.709 1.750 0.000) 1.888 2.724 ( 3.635 -6.594 0.000) 7.530 2.887 ( -0.200 -4.425 0.000) 4.430 2.996 ( 0.094 2.186 0.000) 2.188 3.168 ( 8.412 4.383 0.000) 9.485 3.331 ( -2.302 -5.390 0.000) 5.861 3.827 ( 3.118 3.261 0.000) 4.512 3.910 ( -2.723 -1.613 0.000) 3.165 4.715 ( 4.389 10.234 0.000) 11.135 4.728 ( 6.998 0.917 0.000) 7.058 5.549 ( 6.328 -7.443 0.000) 9.770 6.298 ( 9.679 0.824 0.000) 9.714 6.473 ( -66.268 -0.783 0.000) 66.273 7.151 ( -53.921 -6.647 0.000) 54.329 7.185 ( -5.189 3.530 0.000) 6.276 7.689 ( -30.203 0.071 0.000) 30.203 8.890 ( 3.726 1.793 0.000) 4.135 9.322 ( -13.344 1.472 0.000) 13.425 9.827 ( -11.232 1.980 0.000) 11.405 10.130 ( -3.990 0.836 0.000) 4.077 11.545 ( -24.262 -0.985 0.000) 24.282 11.585 ( -12.202 -0.427 0.000) 12.209 11.835 ( 27.631 -2.541 0.000) 27.747 12.537 ( 15.505 0.541 0.000) 15.515 13.514 ( 6.208 -2.056 0.000) 6.539 13.803 ( -14.834 -5.865 0.000) 15.951 15.159 ( -24.675 -17.725 0.000) 30.381 15.686 ( -6.828 -5.329 0.000) 8.662 16.121 ( 29.293 -0.174 0.000) 29.293 18.384 ( 29.436 1.474 0.000) 29.473 19.352 ( -1.846 -4.791 0.000) 5.134 19.481 ( 1.838 2.929 0.000) 3.458 20.065 ( 4.986 -0.070 0.000) 4.986 20.226 ( -5.455 -1.408 0.000) 5.634 20.929 ( -14.845 3.465 0.000) 15.244 22.329 ( 0.064 -2.142 0.000) 2.143 22.720 ( 12.750 -4.702 0.000) 13.590 22.998 ( -5.758 -0.384 0.000) 5.771 23.672 ( 18.759 13.792 0.000) 23.284 23.830 ( 30.755 24.918 0.000) 39.583 28.977 ( -20.104 0.872 0.000) 20.123 30.238 ( -1.336 -0.142 0.000) 1.343 30.262 ( -38.478 -36.299 0.000) 52.898 31.609 ( 4.805 0.513 0.000) 4.833 ======================= Grid point 19 (14/124) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -11.471 20.260 0.000) 23.282 1.085 ( -26.653 19.072 0.000) 32.774 1.546 ( -34.666 29.675 0.000) 45.633 2.330 ( 2.426 5.245 0.000) 5.779 2.486 ( -1.421 3.612 0.000) 3.881 2.845 ( 2.336 -5.982 0.000) 6.422 2.872 ( -3.180 -2.593 0.000) 4.103 2.968 ( -6.043 -4.954 0.000) 7.814 3.249 ( 4.402 1.923 0.000) 4.804 3.392 ( 1.561 -7.237 0.000) 7.404 3.883 ( 4.157 0.685 0.000) 4.213 3.907 ( 1.479 -1.446 0.000) 2.069 4.594 ( -9.582 6.867 0.000) 11.789 4.797 ( 2.418 2.358 0.000) 3.377 5.457 ( -43.370 -0.913 0.000) 43.379 5.833 ( 21.882 0.001 0.000) 21.882 6.429 ( 5.952 1.801 0.000) 6.219 6.491 ( -25.417 -7.286 0.000) 26.440 7.059 ( -4.654 3.660 0.000) 5.921 7.253 ( -17.934 0.817 0.000) 17.952 8.824 ( -7.895 1.366 0.000) 8.012 9.136 ( -5.955 1.583 0.000) 6.162 9.612 ( -9.486 1.347 0.000) 9.581 10.237 ( 15.019 -0.023 0.000) 15.019 11.100 ( -25.205 -0.440 0.000) 25.209 11.390 ( -8.856 -0.928 0.000) 8.905 12.388 ( 29.582 -4.017 0.000) 29.854 12.750 ( 8.858 0.234 0.000) 8.862 13.484 ( -24.463 -3.887 0.000) 24.769 13.622 ( 4.393 -0.838 0.000) 4.472 14.757 ( -44.894 -26.025 0.000) 51.892 15.646 ( -2.917 -4.615 0.000) 5.459 16.611 ( 21.884 -1.254 0.000) 21.920 18.823 ( 19.985 1.112 0.000) 20.016 19.368 ( -0.953 -4.691 0.000) 4.787 19.487 ( 1.350 2.477 0.000) 2.821 20.119 ( -6.924 -1.546 0.000) 7.095 20.167 ( 6.500 1.480 0.000) 6.666 20.649 ( -11.973 3.927 0.000) 12.600 22.340 ( 0.112 -0.106 0.000) 0.154 22.913 ( -3.542 0.305 0.000) 3.555 22.947 ( 7.936 -4.289 0.000) 9.021 23.781 ( 4.600 3.621 0.000) 5.854 24.387 ( 69.509 45.187 0.000) 82.906 28.676 ( -12.228 0.231 0.000) 12.230 29.716 ( -71.110 -48.697 0.000) 86.186 30.211 ( -1.397 0.081 0.000) 1.400 31.681 ( 2.974 -0.686 0.000) 3.052 ======================= Grid point 20 (15/124) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.332 ( 0.000 19.017 0.000) 19.017 0.391 ( 0.000 21.716 0.000) 21.716 0.880 ( 0.000 49.244 0.000) 49.244 2.301 ( 0.000 5.600 0.000) 5.600 2.441 ( 0.000 3.041 0.000) 3.041 2.865 ( -0.000 -2.833 0.000) 2.833 2.910 ( -0.000 -0.959 0.000) 0.959 2.917 ( -0.000 -8.117 0.000) 8.117 3.305 ( -0.000 -0.862 0.000) 0.862 3.469 ( -0.000 -5.623 0.000) 5.623 3.926 ( -0.000 -0.105 0.000) 0.105 3.960 ( -0.000 -0.935 0.000) 0.935 4.361 ( 0.000 4.834 0.000) 4.834 4.790 ( 0.000 2.453 0.000) 2.453 5.072 ( -0.000 -0.432 0.000) 0.432 6.187 ( -0.000 -0.312 0.000) 0.312 6.357 ( -0.000 -8.933 0.000) 8.933 6.468 ( 0.000 1.623 0.000) 1.623 6.985 ( 0.000 2.694 0.000) 2.694 7.074 ( 0.000 1.155 0.000) 1.155 8.703 ( -0.000 -0.052 0.000) 0.052 9.073 ( 0.000 1.322 0.000) 1.322 9.512 ( 0.000 0.875 0.000) 0.875 10.507 ( -0.000 -0.181 0.000) 0.181 10.766 ( -0.000 -0.814 0.000) 0.814 11.316 ( -0.000 -0.896 0.000) 0.896 12.778 ( -0.000 -4.250 0.000) 4.250 12.922 ( -0.000 -0.165 0.000) 0.165 13.107 ( -0.000 -1.369 0.000) 1.369 13.681 ( 0.000 0.958 0.000) 0.958 14.131 ( -0.000 -0.047 0.000) 0.047 15.654 ( -0.000 -2.969 0.000) 2.969 16.832 ( -0.000 -1.222 0.000) 1.222 19.010 ( 0.000 0.722 0.000) 0.722 19.401 ( -0.000 -4.262 0.000) 4.262 19.481 ( 0.000 1.810 0.000) 1.810 20.057 ( -0.000 -0.940 0.000) 0.940 20.228 ( 0.000 1.591 0.000) 1.591 20.493 ( 0.000 3.656 0.000) 3.656 22.339 ( 0.000 0.314 0.000) 0.314 22.876 ( 0.000 0.420 0.000) 0.420 23.061 ( -0.000 -3.922 0.000) 3.922 23.793 ( 0.000 2.670 0.000) 2.670 25.505 ( -0.000 -1.747 0.000) 1.747 28.561 ( -0.000 -0.015 0.000) 0.015 28.575 ( 0.000 0.038 0.000) 0.038 30.196 ( 0.000 0.116 0.000) 0.116 31.716 ( -0.000 -0.792 0.000) 0.792 ======================= Grid point 23 (16/124) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 25.077 -0.000 0.000) 25.077 1.615 ( 18.453 -0.000 0.000) 18.453 2.407 ( -1.357 0.000 0.000) 1.357 2.419 ( 2.980 -0.000 0.000) 2.980 2.561 ( -10.891 0.000 0.000) 10.891 2.684 ( -4.160 0.000 0.000) 4.160 2.923 ( -5.768 0.000 0.000) 5.768 3.094 ( 1.962 -0.000 0.000) 1.962 3.485 ( 21.068 -0.000 0.000) 21.068 3.571 ( -6.022 0.000 0.000) 6.022 3.573 ( 9.956 -0.000 0.000) 9.956 3.854 ( -5.632 0.000 0.000) 5.632 4.208 ( -3.428 0.000 0.000) 3.428 4.450 ( -6.217 0.000 0.000) 6.217 5.660 ( 2.682 -0.000 0.000) 2.682 5.968 ( -9.800 0.000 0.000) 9.800 7.401 ( 11.179 -0.000 0.000) 11.179 7.899 ( -8.786 0.000 0.000) 8.786 8.768 ( 33.759 -0.000 0.000) 33.759 9.180 ( 42.375 -0.000 0.000) 42.375 9.687 ( 59.854 -0.000 0.000) 59.854 9.734 ( -19.082 0.000 0.000) 19.082 9.816 ( 9.158 -0.000 0.000) 9.158 10.633 ( 21.837 -0.000 0.000) 21.837 11.003 ( -21.963 0.000 0.000) 21.963 11.549 ( -28.001 0.000 0.000) 28.001 12.092 ( 3.706 -0.000 0.000) 3.706 12.179 ( 7.472 -0.000 0.000) 7.472 13.315 ( -5.298 0.000 0.000) 5.298 13.741 ( -22.913 0.000 0.000) 22.913 15.474 ( -1.864 0.000 0.000) 1.864 15.769 ( -6.846 0.000 0.000) 6.846 16.148 ( 23.217 -0.000 0.000) 23.217 17.181 ( -34.259 0.000 0.000) 34.259 19.344 ( -2.495 0.000 0.000) 2.495 19.530 ( 2.291 -0.000 0.000) 2.291 20.231 ( -6.292 0.000 0.000) 6.292 20.273 ( 2.365 -0.000 0.000) 2.365 21.401 ( 16.088 -0.000 0.000) 16.088 22.105 ( -12.646 0.000 0.000) 12.646 22.250 ( -14.190 0.000 0.000) 14.190 22.615 ( 12.582 -0.000 0.000) 12.582 23.270 ( 7.538 -0.000 0.000) 7.538 23.409 ( -7.294 0.000 0.000) 7.294 29.697 ( 18.426 -0.000 0.000) 18.426 30.209 ( -4.915 0.000 0.000) 4.915 31.237 ( -14.553 0.000 0.000) 14.553 31.488 ( 3.634 -0.000 0.000) 3.634 ======================= Grid point 24 (17/124) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 12.449 -5.508 0.000) 13.613 2.001 ( 20.856 -3.810 0.000) 21.201 2.363 ( -3.034 0.605 0.000) 3.093 2.390 ( -8.662 0.068 0.000) 8.662 2.452 ( 0.639 0.145 0.000) 0.656 2.618 ( -1.868 2.266 0.000) 2.937 2.811 ( -5.087 2.649 0.000) 5.736 3.145 ( 6.261 5.966 0.000) 8.648 3.445 ( -6.383 1.211 0.000) 6.497 3.653 ( -4.167 7.848 0.000) 8.886 3.782 ( 10.141 -3.648 0.000) 10.777 3.828 ( 5.307 -6.780 0.000) 8.610 4.217 ( 3.339 -2.584 0.000) 4.222 4.384 ( -1.105 -0.820 0.000) 1.376 5.739 ( 6.524 0.177 0.000) 6.526 5.778 ( -11.269 0.736 0.000) 11.293 7.635 ( 14.503 -0.379 0.000) 14.508 7.668 ( -13.628 -0.035 0.000) 13.628 9.280 ( -30.407 -0.374 0.000) 30.409 9.341 ( 30.146 0.329 0.000) 30.148 9.760 ( 18.314 -0.254 0.000) 18.315 9.795 ( -14.954 0.163 0.000) 14.955 10.477 ( -40.237 -0.212 0.000) 40.238 10.593 ( 40.158 1.201 0.000) 40.176 11.018 ( -27.792 -0.673 0.000) 27.800 11.091 ( 29.798 0.151 0.000) 29.798 12.146 ( 0.550 -0.483 0.000) 0.732 12.225 ( -1.455 0.448 0.000) 1.523 13.298 ( 4.682 -0.699 0.000) 4.734 13.381 ( -13.991 0.293 0.000) 13.994 15.477 ( -0.337 -0.761 0.000) 0.832 15.639 ( -6.340 1.137 0.000) 6.441 16.589 ( -31.709 -0.399 0.000) 31.712 16.639 ( 31.308 0.130 0.000) 31.308 19.305 ( -2.463 -1.305 0.000) 2.787 19.558 ( 1.541 1.623 0.000) 2.238 20.106 ( -6.760 0.230 0.000) 6.764 20.301 ( 2.678 3.422 0.000) 4.345 21.702 ( 16.984 -1.269 0.000) 17.031 21.848 ( -16.653 -0.899 0.000) 16.677 22.108 ( -4.757 -5.051 0.000) 6.938 22.893 ( 20.371 3.694 0.000) 20.703 23.286 ( -6.866 -0.820 0.000) 6.915 23.402 ( 7.692 0.464 0.000) 7.706 29.979 ( 12.797 -0.361 0.000) 12.802 30.066 ( -11.085 0.736 0.000) 11.109 30.938 ( -20.553 -3.375 0.000) 20.828 31.528 ( 3.152 3.611 0.000) 4.793 ======================= Grid point 25 (18/124) ======================= q-point: (-0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 1.248 -5.367 0.000) 5.510 2.232 ( -5.277 2.796 0.000) 5.972 2.282 ( -5.203 -0.133 0.000) 5.205 2.358 ( 13.086 -4.054 0.000) 13.700 2.463 ( 1.887 -0.124 0.000) 1.891 2.581 ( -0.074 2.703 0.000) 2.704 2.716 ( -1.609 3.185 0.000) 3.568 3.174 ( 5.858 12.931 0.000) 14.195 3.356 ( -2.183 1.033 0.000) 2.415 3.458 ( -10.758 0.101 0.000) 10.758 3.941 ( 2.958 0.640 0.000) 3.027 3.948 ( 4.793 -0.949 0.000) 4.886 4.358 ( 9.488 -2.105 0.000) 9.719 4.448 ( 6.576 -3.893 0.000) 7.642 5.562 ( -11.986 0.244 0.000) 11.988 5.893 ( 10.417 -0.500 0.000) 10.429 7.461 ( -8.990 0.404 0.000) 8.999 7.869 ( 7.302 -0.684 0.000) 7.334 8.698 ( -34.947 -0.872 0.000) 34.958 9.253 ( -40.247 0.859 0.000) 40.256 9.559 ( -61.016 -0.584 0.000) 61.019 9.795 ( 17.022 1.237 0.000) 17.067 9.854 ( -2.530 -0.402 0.000) 2.562 10.638 ( -17.222 -0.734 0.000) 17.237 11.077 ( 17.948 1.684 0.000) 18.027 11.621 ( 26.559 0.725 0.000) 26.569 12.095 ( -7.415 -0.961 0.000) 7.477 12.152 ( -4.344 0.668 0.000) 4.395 13.268 ( -0.003 -0.755 0.000) 0.755 13.507 ( 14.779 -3.178 0.000) 15.117 15.430 ( -7.348 -2.612 0.000) 7.799 15.563 ( 0.463 1.085 0.000) 1.180 16.087 ( -24.677 -1.196 0.000) 24.706 17.234 ( 34.904 0.422 0.000) 34.906 19.280 ( -2.335 -2.658 0.000) 3.538 19.556 ( 0.479 2.751 0.000) 2.792 20.016 ( -2.422 0.512 0.000) 2.476 20.310 ( 1.434 3.160 0.000) 3.471 21.556 ( -15.784 1.018 0.000) 15.817 22.023 ( 16.981 -2.586 0.000) 17.177 22.124 ( -0.146 -6.945 0.000) 6.946 23.178 ( -6.346 -1.252 0.000) 6.469 23.270 ( 28.049 9.448 0.000) 29.597 23.539 ( 8.579 0.896 0.000) 8.625 29.797 ( -17.677 2.169 0.000) 17.809 30.156 ( 6.577 -0.588 0.000) 6.603 30.574 ( -26.484 -10.020 0.000) 28.316 31.549 ( 3.047 3.772 0.000) 4.849 ======================= Grid point 26 (19/124) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -17.146 10.031 0.000) 19.865 2.139 ( -9.247 3.842 0.000) 10.013 2.301 ( 4.506 -1.952 0.000) 4.911 2.479 ( 3.389 -0.319 0.000) 3.404 2.555 ( -0.846 1.175 0.000) 1.447 2.586 ( 3.080 -5.102 0.000) 5.960 2.732 ( 4.641 -0.036 0.000) 4.641 3.177 ( 6.102 8.000 0.000) 10.061 3.300 ( 0.953 12.130 0.000) 12.167 3.305 ( -8.446 -4.422 0.000) 9.533 3.934 ( -0.442 4.196 0.000) 4.219 3.960 ( -2.624 1.114 0.000) 2.851 4.562 ( 11.121 -0.815 0.000) 11.151 4.664 ( 12.317 -3.419 0.000) 12.783 5.377 ( -9.245 -3.843 0.000) 10.012 6.103 ( 12.248 -0.336 0.000) 12.253 7.337 ( -4.470 1.570 0.000) 4.737 7.565 ( -48.710 -0.538 0.000) 48.713 8.023 ( -46.154 -1.961 0.000) 46.196 8.419 ( -55.580 0.914 0.000) 55.588 8.815 ( -4.334 -1.217 0.000) 4.502 9.627 ( -15.470 0.931 0.000) 15.498 9.997 ( 1.084 1.550 0.000) 1.892 10.351 ( -15.469 0.151 0.000) 15.469 11.358 ( 18.418 0.007 0.000) 18.418 11.802 ( -7.177 0.131 0.000) 7.179 11.888 ( -16.951 -1.175 0.000) 16.991 12.250 ( 17.683 1.264 0.000) 17.729 13.343 ( 6.018 -1.698 0.000) 6.253 13.741 ( 3.557 -5.718 0.000) 6.734 15.249 ( -17.002 -5.517 0.000) 17.874 15.700 ( 16.984 0.955 0.000) 17.011 15.753 ( -14.702 -2.971 0.000) 14.999 17.848 ( 34.089 0.908 0.000) 34.101 19.268 ( -2.127 -3.725 0.000) 4.289 19.539 ( 0.849 3.042 0.000) 3.158 20.015 ( 3.186 1.545 0.000) 3.541 20.287 ( -2.082 1.291 0.000) 2.450 21.269 ( -15.042 1.984 0.000) 15.173 22.203 ( 2.509 -5.204 0.000) 5.777 22.343 ( 15.439 -3.906 0.000) 15.925 23.080 ( -5.852 -1.126 0.000) 5.959 23.635 ( 14.178 6.351 0.000) 15.535 23.769 ( 29.292 11.094 0.000) 31.323 29.413 ( -22.089 2.853 0.000) 22.272 30.178 ( -31.936 -18.010 0.000) 36.664 30.230 ( 1.573 -0.513 0.000) 1.655 31.576 ( 3.172 2.422 0.000) 3.991 ======================= Grid point 27 (20/124) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -18.188 15.192 0.000) 23.698 1.861 ( -16.692 9.111 0.000) 19.016 2.378 ( 4.383 1.920 0.000) 4.785 2.490 ( -5.911 6.116 0.000) 8.506 2.536 ( -0.555 0.221 0.000) 0.597 2.616 ( 0.252 -5.246 0.000) 5.252 2.837 ( 4.751 -1.228 0.000) 4.907 3.127 ( -4.445 11.661 0.000) 12.479 3.224 ( -6.007 -6.571 0.000) 8.903 3.267 ( 6.964 8.652 0.000) 11.106 3.879 ( -4.913 -1.820 0.000) 5.240 3.891 ( 0.417 3.711 0.000) 3.734 4.744 ( 8.758 0.863 0.000) 8.800 4.845 ( 4.335 4.410 0.000) 6.184 5.376 ( 4.415 -11.671 0.000) 12.478 6.315 ( 11.239 0.963 0.000) 11.280 6.461 ( -66.417 -0.555 0.000) 66.419 7.064 ( -54.078 -3.336 0.000) 54.181 7.247 ( -3.954 3.333 0.000) 5.171 7.694 ( -29.738 0.436 0.000) 29.741 8.891 ( 2.791 -1.212 0.000) 3.043 9.348 ( -13.120 1.329 0.000) 13.187 9.864 ( -11.544 2.051 0.000) 11.724 10.143 ( -4.696 0.569 0.000) 4.731 11.526 ( -24.013 -1.111 0.000) 24.039 11.578 ( -12.587 -0.333 0.000) 12.591 11.788 ( 25.234 -2.658 0.000) 25.373 12.551 ( 15.056 0.934 0.000) 15.085 13.480 ( 7.139 -1.635 0.000) 7.324 13.693 ( -13.997 -6.301 0.000) 15.350 14.930 ( -25.795 -8.819 0.000) 27.260 15.599 ( -6.954 -4.468 0.000) 8.266 16.118 ( 27.771 -0.169 0.000) 27.772 18.410 ( 29.493 1.384 0.000) 29.526 19.269 ( -1.773 -4.355 0.000) 4.702 19.536 ( 1.739 3.120 0.000) 3.572 20.094 ( 7.402 2.670 0.000) 7.869 20.208 ( -6.318 -0.606 0.000) 6.347 20.984 ( -14.615 2.662 0.000) 14.855 22.288 ( 2.867 -2.360 0.000) 3.713 22.631 ( 12.188 -5.025 0.000) 13.183 22.991 ( -4.931 -0.465 0.000) 4.953 23.770 ( 7.524 3.434 0.000) 8.270 24.272 ( 40.644 19.528 0.000) 45.092 28.999 ( -20.821 1.803 0.000) 20.899 29.734 ( -39.443 -23.672 0.000) 46.002 30.234 ( -1.066 -0.246 0.000) 1.094 31.619 ( 3.102 0.664 0.000) 3.172 ======================= Grid point 28 (21/124) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -11.599 17.487 0.000) 20.984 1.323 ( -34.658 11.640 0.000) 36.560 2.144 ( -9.802 31.676 0.000) 33.158 2.429 ( 4.444 4.383 0.000) 6.241 2.521 ( -0.874 1.381 0.000) 1.634 2.683 ( -3.489 -11.251 0.000) 11.780 2.862 ( -1.509 1.810 0.000) 2.357 2.948 ( -5.719 3.977 0.000) 6.966 3.236 ( -0.727 -10.089 0.000) 10.116 3.284 ( 1.075 2.088 0.000) 2.348 3.874 ( 2.129 -2.291 0.000) 3.127 3.897 ( 2.181 0.919 0.000) 2.367 4.707 ( -12.145 6.134 0.000) 13.606 4.844 ( 4.164 2.853 0.000) 5.048 5.435 ( -43.341 -1.739 0.000) 43.376 5.729 ( 19.563 -11.215 0.000) 22.550 6.390 ( -24.021 -3.899 0.000) 24.336 6.467 ( 6.966 2.355 0.000) 7.354 7.133 ( -4.349 4.462 0.000) 6.231 7.268 ( -17.193 0.858 0.000) 17.215 8.825 ( -9.680 -0.886 0.000) 9.720 9.168 ( -5.520 1.863 0.000) 5.826 9.640 ( -9.830 1.700 0.000) 9.976 10.236 ( 14.449 -0.016 0.000) 14.449 11.086 ( -25.359 -1.057 0.000) 25.381 11.370 ( -9.543 -1.204 0.000) 9.619 12.308 ( 27.375 -4.784 0.000) 27.790 12.755 ( 8.792 0.316 0.000) 8.798 13.403 ( -22.909 -5.115 0.000) 23.473 13.614 ( 6.936 -0.103 0.000) 6.937 14.489 ( -31.150 -8.032 0.000) 32.169 15.562 ( -2.394 -4.865 0.000) 5.422 16.585 ( 20.933 -1.536 0.000) 20.989 18.846 ( 19.718 1.384 0.000) 19.767 19.282 ( -1.260 -4.756 0.000) 4.920 19.538 ( 1.363 3.140 0.000) 3.423 20.091 ( -6.861 -1.551 0.000) 7.034 20.211 ( 7.655 3.080 0.000) 8.251 20.716 ( -11.457 3.498 0.000) 11.979 22.338 ( 1.507 -0.087 0.000) 1.510 22.853 ( 7.060 -5.797 0.000) 9.136 22.919 ( -3.006 0.304 0.000) 3.022 23.846 ( 4.246 3.608 0.000) 5.572 24.892 ( 47.425 16.522 0.000) 50.221 28.682 ( -12.674 0.523 0.000) 12.684 29.145 ( -49.199 -20.422 0.000) 53.269 30.211 ( -1.281 -0.003 0.000) 1.281 31.669 ( 2.157 -0.701 0.000) 2.268 ======================= Grid point 29 (22/124) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 0.000 19.371 0.000) 19.371 0.753 ( 0.000 19.154 0.000) 19.154 1.708 ( 0.000 44.005 0.000) 44.005 2.431 ( 0.000 8.632 0.000) 8.632 2.485 ( 0.000 0.822 0.000) 0.822 2.722 ( -0.000 -13.648 0.000) 13.648 2.827 ( -0.000 -0.230 0.000) 0.230 2.895 ( -0.000 -0.113 0.000) 0.113 3.294 ( -0.000 -0.127 0.000) 0.127 3.329 ( -0.000 -9.986 0.000) 9.986 3.922 ( -0.000 -0.293 0.000) 0.293 3.933 ( -0.000 -2.128 0.000) 2.128 4.472 ( 0.000 7.322 0.000) 7.322 4.847 ( 0.000 3.806 0.000) 3.806 5.059 ( -0.000 -1.222 0.000) 1.222 6.134 ( -0.000 -16.087 0.000) 16.087 6.180 ( -0.000 -0.491 0.000) 0.491 6.508 ( 0.000 2.726 0.000) 2.726 7.049 ( 0.000 4.365 0.000) 4.365 7.097 ( 0.000 1.340 0.000) 1.340 8.702 ( -0.000 -0.087 0.000) 0.087 9.104 ( 0.000 2.104 0.000) 2.104 9.532 ( 0.000 1.406 0.000) 1.406 10.503 ( -0.000 -0.292 0.000) 0.292 10.746 ( -0.000 -1.307 0.000) 1.307 11.294 ( -0.000 -1.516 0.000) 1.516 12.686 ( -0.000 -5.843 0.000) 5.843 12.908 ( -0.000 -1.399 0.000) 1.399 13.074 ( -0.000 -2.196 0.000) 2.196 13.703 ( 0.000 1.451 0.000) 1.451 14.130 ( -0.000 -0.075 0.000) 0.075 15.584 ( -0.000 -4.648 0.000) 4.648 16.802 ( -0.000 -1.985 0.000) 1.985 19.028 ( 0.000 1.155 0.000) 1.155 19.312 ( -0.000 -5.265 0.000) 5.265 19.524 ( 0.000 2.947 0.000) 2.947 20.035 ( -0.000 -1.525 0.000) 1.525 20.266 ( 0.000 2.643 0.000) 2.643 20.566 ( 0.000 4.280 0.000) 4.280 22.347 ( 0.000 0.628 0.000) 0.628 22.886 ( 0.000 0.615 0.000) 0.615 22.971 ( -0.000 -5.946 0.000) 5.946 23.852 ( 0.000 3.715 0.000) 3.715 25.463 ( -0.000 -2.801 0.000) 2.801 28.561 ( -0.000 -0.020 0.000) 0.020 28.576 ( 0.000 0.057 0.000) 0.057 30.198 ( 0.000 0.107 0.000) 0.107 31.699 ( -0.000 -1.164 0.000) 1.164 ======================= Grid point 34 (23/124) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 5.095 -0.000 0.000) 5.095 2.260 ( -5.629 0.000 0.000) 5.629 2.271 ( -1.302 0.000 0.000) 1.302 2.324 ( 10.822 -0.000 0.000) 10.822 2.466 ( 0.942 -0.000 0.000) 0.942 2.608 ( -0.713 0.000 0.000) 0.713 2.753 ( -2.097 0.000 0.000) 2.097 3.333 ( -5.651 0.000 0.000) 5.651 3.334 ( 10.667 -0.000 0.000) 10.667 3.458 ( -14.332 0.000 0.000) 14.332 3.938 ( 7.797 -0.000 0.000) 7.797 3.944 ( 5.455 -0.000 0.000) 5.455 4.339 ( 10.470 -0.000 0.000) 10.470 4.403 ( 4.173 -0.000 0.000) 4.173 5.566 ( -12.734 0.000 0.000) 12.734 5.889 ( 10.299 -0.000 0.000) 10.299 7.465 ( -8.720 0.000 0.000) 8.720 7.863 ( 7.312 -0.000 0.000) 7.312 8.690 ( -35.093 0.000 0.000) 35.093 9.261 ( -40.008 0.000 0.000) 40.008 9.555 ( -61.294 0.000 0.000) 61.294 9.808 ( 20.733 -0.000 0.000) 20.733 9.848 ( -5.797 0.000 0.000) 5.797 10.631 ( -16.814 0.000 0.000) 16.814 11.093 ( 17.442 -0.000 0.000) 17.442 11.627 ( 26.454 -0.000 0.000) 26.454 12.086 ( -7.402 0.000 0.000) 7.402 12.158 ( -4.306 0.000 0.000) 4.306 13.261 ( -0.457 0.000 0.000) 0.457 13.477 ( 13.919 -0.000 0.000) 13.919 15.407 ( -7.900 0.000 0.000) 7.900 15.573 ( 0.225 -0.000 0.000) 0.225 16.076 ( -25.068 0.000 0.000) 25.068 17.237 ( 34.985 -0.000 0.000) 34.985 19.256 ( -2.358 0.000 0.000) 2.358 19.581 ( 0.231 -0.000 0.000) 0.231 20.022 ( -2.013 0.000 0.000) 2.013 20.342 ( 0.205 -0.000 0.000) 0.205 21.564 ( -15.336 0.000 0.000) 15.336 21.999 ( 16.840 -0.000 0.000) 16.840 22.060 ( 1.459 -0.000 0.000) 1.459 23.167 ( -6.175 0.000 0.000) 6.175 23.355 ( 29.364 -0.000 0.000) 29.364 23.545 ( 8.175 -0.000 0.000) 8.175 29.819 ( -17.058 0.000 0.000) 17.058 30.150 ( 6.662 -0.000 0.000) 6.662 30.482 ( -28.475 0.000 0.000) 28.475 31.583 ( 1.810 -0.000 0.000) 1.810 ======================= Grid point 35 (24/124) ======================= q-point: (-0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -13.784 1.544 0.000) 13.871 2.164 ( -7.769 0.158 0.000) 7.771 2.280 ( 6.391 -0.071 0.000) 6.392 2.488 ( 2.769 0.807 0.000) 2.884 2.520 ( 5.181 -2.322 0.000) 5.677 2.578 ( -1.891 0.931 0.000) 2.108 2.759 ( 3.703 1.812 0.000) 4.123 3.236 ( -10.997 -2.676 0.000) 11.318 3.257 ( -1.057 2.111 0.000) 2.361 3.502 ( 10.682 7.186 0.000) 12.874 3.985 ( 0.166 1.479 0.000) 1.488 3.996 ( -1.602 2.495 0.000) 2.965 4.551 ( 12.299 -0.336 0.000) 12.303 4.564 ( 11.582 -5.457 0.000) 12.803 5.340 ( -12.284 -0.763 0.000) 12.307 6.100 ( 12.916 -0.104 0.000) 12.916 7.356 ( -3.680 0.538 0.000) 3.719 7.560 ( -48.277 -0.157 0.000) 48.277 8.000 ( -46.669 -0.694 0.000) 46.675 8.433 ( -56.559 0.542 0.000) 56.562 8.796 ( -4.064 -0.667 0.000) 4.118 9.638 ( -15.351 0.352 0.000) 15.355 10.016 ( 1.649 0.537 0.000) 1.734 10.351 ( -14.991 -0.072 0.000) 14.991 11.361 ( 16.786 0.158 0.000) 16.786 11.802 ( -7.765 -0.037 0.000) 7.765 11.873 ( -16.794 -0.451 0.000) 16.800 12.268 ( 17.700 0.585 0.000) 17.710 13.322 ( 5.987 -0.628 0.000) 6.020 13.668 ( 3.131 -2.299 0.000) 3.885 15.186 ( -17.606 -1.706 0.000) 17.689 15.712 ( 16.428 0.356 0.000) 16.432 15.717 ( -15.526 -1.103 0.000) 15.565 17.859 ( 34.296 0.309 0.000) 34.297 19.223 ( -2.041 -1.356 0.000) 2.450 19.578 ( 0.464 1.207 0.000) 1.293 20.040 ( 4.170 0.906 0.000) 4.267 20.308 ( -3.622 0.775 0.000) 3.704 21.292 ( -14.941 0.658 0.000) 14.955 22.135 ( 5.134 -2.153 0.000) 5.567 22.293 ( 15.140 -1.536 0.000) 15.217 23.066 ( -5.390 -0.455 0.000) 5.409 23.688 ( 8.500 1.190 0.000) 8.583 23.920 ( 35.345 4.580 0.000) 35.640 29.462 ( -21.634 2.091 0.000) 21.735 29.950 ( -33.988 -7.224 0.000) 34.748 30.224 ( 1.775 -0.208 0.000) 1.787 31.607 ( 1.614 0.952 0.000) 1.874 ======================= Grid point 36 (25/124) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -17.979 7.020 0.000) 19.301 1.965 ( -14.251 3.640 0.000) 14.709 2.395 ( 5.842 1.342 0.000) 5.994 2.517 ( -0.541 -1.608 0.000) 1.696 2.553 ( 0.496 0.425 0.000) 0.653 2.559 ( -1.753 -1.133 0.000) 2.087 2.837 ( 5.924 1.128 0.000) 6.030 3.111 ( -7.854 -5.745 0.000) 9.730 3.249 ( 1.611 3.044 0.000) 3.444 3.547 ( 3.529 18.191 0.000) 18.530 3.855 ( -8.775 -0.440 0.000) 8.786 3.947 ( -1.586 2.453 0.000) 2.921 4.756 ( 10.292 0.549 0.000) 10.307 4.857 ( 11.788 -3.429 0.000) 12.277 5.186 ( -5.585 -7.928 0.000) 9.698 6.330 ( 12.494 0.652 0.000) 12.511 6.454 ( -66.684 -0.284 0.000) 66.685 7.026 ( -53.612 -1.141 0.000) 53.624 7.295 ( -2.863 1.952 0.000) 3.465 7.702 ( -29.801 0.378 0.000) 29.803 8.863 ( 2.359 -1.500 0.000) 2.795 9.366 ( -12.937 0.767 0.000) 12.959 9.894 ( -11.751 1.276 0.000) 11.820 10.150 ( -4.781 0.265 0.000) 4.789 11.509 ( -23.890 -0.720 0.000) 23.900 11.575 ( -13.718 -0.027 0.000) 13.718 11.747 ( 24.015 -1.815 0.000) 24.084 12.567 ( 14.679 0.850 0.000) 14.703 13.458 ( 8.119 -0.825 0.000) 8.161 13.597 ( -13.335 -4.189 0.000) 13.977 14.827 ( -24.543 -3.379 0.000) 24.775 15.536 ( -7.167 -2.597 0.000) 7.623 16.116 ( 26.577 -0.103 0.000) 26.577 18.430 ( 29.639 0.809 0.000) 29.650 19.208 ( -1.562 -2.491 0.000) 2.941 19.583 ( 1.550 1.988 0.000) 2.521 20.140 ( 8.074 2.172 0.000) 8.361 20.203 ( -7.456 -0.061 0.000) 7.457 21.019 ( -14.564 1.363 0.000) 14.628 22.252 ( 5.408 -1.575 0.000) 5.633 22.556 ( 11.768 -3.193 0.000) 12.194 22.983 ( -4.244 -0.331 0.000) 4.257 23.817 ( 7.201 1.850 0.000) 7.435 24.512 ( 36.933 8.398 0.000) 37.875 29.041 ( -21.781 2.839 0.000) 21.965 29.417 ( -35.710 -12.775 0.000) 37.926 30.230 ( -0.854 -0.202 0.000) 0.877 31.630 ( 1.723 0.483 0.000) 1.789 ======================= Grid point 37 (26/124) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -12.404 10.979 0.000) 16.565 1.529 ( -27.515 11.672 0.000) 29.889 2.446 ( 1.367 0.194 0.000) 1.381 2.463 ( -9.051 -6.595 0.000) 11.199 2.506 ( -3.821 2.512 0.000) 4.573 2.590 ( 4.671 4.376 0.000) 6.401 2.911 ( 2.010 2.792 0.000) 3.441 3.055 ( -4.517 -9.854 0.000) 10.840 3.169 ( -4.293 17.833 0.000) 18.342 3.339 ( -3.168 6.219 0.000) 6.979 3.835 ( 2.683 -1.582 0.000) 3.115 3.913 ( -0.241 0.856 0.000) 0.889 4.809 ( -10.262 5.429 0.000) 11.609 4.891 ( 5.799 2.299 0.000) 6.238 5.371 ( -25.601 -8.395 0.000) 26.942 5.495 ( -4.453 -11.201 0.000) 12.054 6.348 ( -22.534 -1.248 0.000) 22.569 6.507 ( 7.980 2.009 0.000) 8.229 7.206 ( -3.928 3.556 0.000) 5.299 7.281 ( -16.796 0.606 0.000) 16.807 8.804 ( -8.753 -1.208 0.000) 8.836 9.197 ( -5.003 1.443 0.000) 5.207 9.668 ( -10.240 1.397 0.000) 10.335 10.236 ( 13.787 0.010 0.000) 13.787 11.068 ( -25.449 -0.948 0.000) 25.467 11.350 ( -10.282 -1.014 0.000) 10.332 12.230 ( 25.658 -3.794 0.000) 25.937 12.762 ( 8.056 0.450 0.000) 8.068 13.315 ( -21.180 -4.494 0.000) 21.651 13.616 ( 8.999 0.181 0.000) 9.001 14.404 ( -24.517 -2.654 0.000) 24.660 15.484 ( -2.349 -3.740 0.000) 4.417 16.560 ( 19.970 -1.226 0.000) 20.008 18.869 ( 19.503 1.156 0.000) 19.537 19.210 ( -1.042 -3.273 0.000) 3.435 19.590 ( 1.292 2.569 0.000) 2.876 20.068 ( -7.234 -1.089 0.000) 7.315 20.265 ( 7.391 2.750 0.000) 7.886 20.766 ( -11.232 2.110 0.000) 11.428 22.337 ( 3.051 -0.050 0.000) 3.052 22.758 ( 6.629 -4.729 0.000) 8.143 22.923 ( -2.473 0.186 0.000) 2.480 23.902 ( 4.274 2.625 0.000) 5.016 25.070 ( 31.675 5.532 0.000) 32.155 28.695 ( -13.697 1.038 0.000) 13.736 28.900 ( -32.337 -9.098 0.000) 33.592 30.211 ( -1.161 -0.085 0.000) 1.164 31.658 ( 1.337 -0.449 0.000) 1.410 ======================= Grid point 38 (27/124) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 0.000 19.502 0.000) 19.502 1.049 ( 0.000 14.095 0.000) 14.095 2.346 ( 0.000 24.456 0.000) 24.456 2.452 ( -0.000 -16.639 0.000) 16.639 2.465 ( -0.000 -1.908 0.000) 1.908 2.584 ( 0.000 8.201 0.000) 8.201 2.870 ( 0.000 4.260 0.000) 4.260 2.973 ( 0.000 12.532 0.000) 12.532 3.130 ( -0.000 -12.196 0.000) 12.196 3.306 ( 0.000 1.534 0.000) 1.534 3.890 ( -0.000 -2.457 0.000) 2.457 3.916 ( -0.000 -0.455 0.000) 0.455 4.606 ( 0.000 7.738 0.000) 7.738 4.915 ( 0.000 3.663 0.000) 3.663 5.027 ( -0.000 -2.453 0.000) 2.453 5.807 ( -0.000 -20.626 0.000) 20.626 6.171 ( -0.000 -0.470 0.000) 0.470 6.558 ( 0.000 2.857 0.000) 2.857 7.118 ( 0.000 0.996 0.000) 0.996 7.128 ( 0.000 4.370 0.000) 4.370 8.700 ( -0.000 -0.090 0.000) 0.090 9.142 ( 0.000 2.079 0.000) 2.079 9.558 ( 0.000 1.390 0.000) 1.390 10.498 ( -0.000 -0.291 0.000) 0.291 10.723 ( -0.000 -1.295 0.000) 1.295 11.266 ( -0.000 -1.603 0.000) 1.603 12.584 ( -0.000 -5.437 0.000) 5.437 12.877 ( -0.000 -1.931 0.000) 1.931 13.035 ( -0.000 -2.174 0.000) 2.174 13.728 ( 0.000 1.345 0.000) 1.345 14.128 ( -0.000 -0.073 0.000) 0.073 15.502 ( -0.000 -4.474 0.000) 4.474 16.766 ( -0.000 -1.980 0.000) 1.980 19.048 ( 0.000 1.141 0.000) 1.141 19.229 ( -0.000 -3.968 0.000) 3.968 19.578 ( 0.000 2.966 0.000) 2.966 20.007 ( -0.000 -1.531 0.000) 1.531 20.315 ( 0.000 2.764 0.000) 2.764 20.632 ( 0.000 2.992 0.000) 2.992 22.359 ( 0.000 0.741 0.000) 0.741 22.865 ( -0.000 -5.771 0.000) 5.771 22.896 ( 0.000 0.539 0.000) 0.539 23.915 ( 0.000 3.261 0.000) 3.261 25.413 ( -0.000 -2.772 0.000) 2.772 28.561 ( -0.000 -0.017 0.000) 0.017 28.577 ( 0.000 0.054 0.000) 0.054 30.199 ( 0.000 0.007 0.000) 0.007 31.679 ( -0.000 -1.019 0.000) 1.019 ======================= Grid point 45 (28/124) ======================= q-point: (-0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -17.514 0.000 0.000) 17.514 1.997 ( -11.801 0.000 0.000) 11.801 2.421 ( 8.911 -0.000 0.000) 8.911 2.498 ( -3.507 0.000 0.000) 3.507 2.545 ( -1.848 0.000 0.000) 1.848 2.550 ( -0.235 0.000 0.000) 0.235 2.857 ( 5.752 -0.000 0.000) 5.752 3.052 ( -8.284 0.000 0.000) 8.284 3.274 ( 1.920 -0.000 0.000) 1.920 3.721 ( 8.997 -0.000 0.000) 8.997 3.870 ( -14.036 0.000 0.000) 14.036 3.970 ( -2.279 0.000 0.000) 2.279 4.762 ( 10.896 -0.000 0.000) 10.896 4.792 ( 16.638 -0.000 0.000) 16.638 5.124 ( -11.448 0.000 0.000) 11.448 6.336 ( 12.976 -0.000 0.000) 12.976 6.451 ( -66.869 0.000 0.000) 66.869 7.017 ( -53.354 0.000 0.000) 53.354 7.313 ( -2.422 0.000 0.000) 2.422 7.705 ( -29.898 0.000 0.000) 29.898 8.849 ( 2.287 -0.000 0.000) 2.287 9.373 ( -12.870 0.000 0.000) 12.870 9.906 ( -11.810 0.000 0.000) 11.810 10.152 ( -4.725 0.000 0.000) 4.725 11.503 ( -23.849 0.000 0.000) 23.849 11.575 ( -14.700 0.000 0.000) 14.700 11.730 ( 24.071 -0.000 0.000) 24.071 12.576 ( 14.537 -0.000 0.000) 14.537 13.451 ( 8.514 -0.000 0.000) 8.514 13.558 ( -13.091 0.000 0.000) 13.091 14.799 ( -23.984 0.000 0.000) 23.984 15.512 ( -7.265 0.000 0.000) 7.265 16.115 ( 26.130 -0.000 0.000) 26.130 18.437 ( 29.721 -0.000 0.000) 29.721 19.185 ( -1.466 0.000 0.000) 1.466 19.601 ( 1.455 -0.000 0.000) 1.455 20.160 ( 8.168 -0.000 0.000) 8.168 20.203 ( -7.996 0.000 0.000) 7.996 21.031 ( -14.567 0.000 0.000) 14.567 22.237 ( 6.450 -0.000 0.000) 6.450 22.527 ( 11.618 -0.000 0.000) 11.618 22.980 ( -3.977 0.000 0.000) 3.977 23.833 ( 7.170 -0.000 0.000) 7.170 24.583 ( 35.234 -0.000 0.000) 35.234 29.078 ( -22.022 0.000 0.000) 22.022 29.295 ( -34.077 0.000 0.000) 34.077 30.228 ( -0.775 0.000 0.000) 0.775 31.635 ( 1.196 -0.000 0.000) 1.196 ======================= Grid point 47 (29/124) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( -12.771 3.243 0.000) 13.177 1.706 ( -18.153 6.911 0.000) 19.424 2.294 ( -21.209 -6.903 0.000) 22.304 2.491 ( 0.724 4.555 0.000) 4.612 2.545 ( 0.295 0.351 0.000) 0.459 2.609 ( 7.781 -2.606 0.000) 8.206 2.924 ( -5.464 -2.865 0.000) 6.169 2.949 ( 1.838 0.251 0.000) 1.855 3.306 ( 1.971 1.713 0.000) 2.611 3.559 ( -10.107 9.398 0.000) 13.802 3.847 ( 5.090 3.099 0.000) 5.959 3.924 ( -1.968 0.362 0.000) 2.001 4.896 ( -8.998 4.343 0.000) 9.991 4.920 ( 6.742 0.881 0.000) 6.800 5.131 ( 7.549 -12.478 0.000) 14.584 5.414 ( -41.453 -1.362 0.000) 41.476 6.336 ( -21.994 -0.255 0.000) 21.996 6.532 ( 8.612 0.792 0.000) 8.649 7.251 ( -3.607 1.345 0.000) 3.849 7.288 ( -16.657 0.217 0.000) 16.659 8.788 ( -7.619 -0.514 0.000) 7.637 9.215 ( -4.644 0.539 0.000) 4.676 9.685 ( -10.519 0.537 0.000) 10.533 10.237 ( 13.357 0.010 0.000) 13.357 11.056 ( -25.468 -0.370 0.000) 25.471 11.337 ( -10.778 -0.395 0.000) 10.785 12.183 ( 24.736 -1.439 0.000) 24.778 12.769 ( 7.361 0.263 0.000) 7.366 13.257 ( -20.008 -1.839 0.000) 20.092 13.618 ( 10.036 0.099 0.000) 10.036 14.377 ( -22.172 -0.647 0.000) 22.181 15.438 ( -2.371 -1.394 0.000) 2.751 16.545 ( 19.373 -0.463 0.000) 19.378 18.884 ( 19.423 0.460 0.000) 19.428 19.171 ( -0.771 -1.155 0.000) 1.389 19.623 ( 1.227 0.986 0.000) 1.575 20.054 ( -7.622 -0.386 0.000) 7.632 20.300 ( 7.041 1.098 0.000) 7.126 20.790 ( -11.197 0.677 0.000) 11.218 22.336 ( 4.071 -0.016 0.000) 4.071 22.698 ( 6.422 -1.827 0.000) 6.677 22.925 ( -2.144 0.056 0.000) 2.145 23.934 ( 4.300 0.953 0.000) 4.404 25.124 ( 24.737 1.266 0.000) 24.769 28.719 ( -15.362 1.578 0.000) 15.442 28.791 ( -23.648 -3.782 0.000) 23.949 30.209 ( -1.086 -0.052 0.000) 1.087 31.653 ( 0.830 -0.144 0.000) 0.842 ======================= Grid point 48 (30/124) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 0.000 6.726 0.000) 6.726 1.346 ( 0.000 17.998 0.000) 17.998 2.152 ( -0.000 -16.798 0.000) 16.798 2.464 ( 0.000 2.435 0.000) 2.435 2.541 ( 0.000 2.643 0.000) 2.643 2.702 ( 0.000 4.897 0.000) 4.897 2.888 ( -0.000 -8.464 0.000) 8.464 2.971 ( 0.000 0.345 0.000) 0.345 3.285 ( 0.000 10.478 0.000) 10.478 3.376 ( 0.000 11.491 0.000) 11.491 3.871 ( 0.000 1.382 0.000) 1.382 3.908 ( -0.000 -0.371 0.000) 0.371 4.735 ( 0.000 6.599 0.000) 6.599 4.968 ( 0.000 2.210 0.000) 2.210 4.972 ( -0.000 -3.622 0.000) 3.622 5.445 ( -0.000 -18.836 0.000) 18.836 6.164 ( -0.000 -0.279 0.000) 0.279 6.601 ( 0.000 1.834 0.000) 1.834 7.131 ( 0.000 0.509 0.000) 0.509 7.193 ( 0.000 2.703 0.000) 2.703 8.699 ( -0.000 -0.057 0.000) 0.057 9.172 ( 0.000 1.282 0.000) 1.282 9.578 ( 0.000 0.849 0.000) 0.849 10.493 ( -0.000 -0.180 0.000) 0.180 10.704 ( -0.000 -0.795 0.000) 0.795 11.241 ( -0.000 -1.037 0.000) 1.037 12.506 ( -0.000 -3.269 0.000) 3.269 12.847 ( -0.000 -1.350 0.000) 1.350 13.003 ( -0.000 -1.333 0.000) 1.333 13.747 ( 0.000 0.786 0.000) 0.786 14.127 ( -0.000 -0.044 0.000) 0.044 15.437 ( -0.000 -2.687 0.000) 2.687 16.737 ( -0.000 -1.215 0.000) 1.215 19.065 ( 0.000 0.699 0.000) 0.699 19.177 ( -0.000 -1.990 0.000) 1.990 19.622 ( 0.000 1.840 0.000) 1.840 19.984 ( -0.000 -0.950 0.000) 0.950 20.357 ( 0.000 1.792 0.000) 1.792 20.670 ( 0.000 1.399 0.000) 1.399 22.371 ( 0.000 0.500 0.000) 0.500 22.780 ( -0.000 -3.570 0.000) 3.570 22.904 ( 0.000 0.295 0.000) 0.295 23.961 ( 0.000 1.863 0.000) 1.863 25.372 ( -0.000 -1.699 0.000) 1.699 28.560 ( -0.000 -0.009 0.000) 0.009 28.578 ( 0.000 0.032 0.000) 0.032 30.199 ( -0.000 -0.046 0.000) 0.046 31.665 ( -0.000 -0.557 0.000) 0.557 ======================= Grid point 58 (31/124) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 0.000 0.000 0.000) 0.000 1.560 ( -0.000 -0.000 0.000) 0.000 1.949 ( 0.000 0.000 0.000) 0.000 2.512 ( -0.000 -0.000 0.000) 0.000 2.555 ( 0.000 0.000 0.000) 0.000 2.746 ( 0.000 0.000 0.000) 0.000 2.770 ( 0.000 0.000 0.000) 0.000 2.992 ( 0.000 0.000 0.000) 0.000 3.334 ( 0.000 0.000 0.000) 0.000 3.524 ( 0.000 0.000 0.000) 0.000 3.904 ( 0.000 0.000 0.000) 0.000 3.917 ( 0.000 0.000 0.000) 0.000 4.810 ( 0.000 0.000 0.000) 0.000 4.924 ( 0.000 0.000 0.000) 0.000 4.988 ( 0.000 0.000 0.000) 0.000 5.250 ( 0.000 0.000 0.000) 0.000 6.162 ( 0.000 0.000 0.000) 0.000 6.618 ( 0.000 0.000 0.000) 0.000 7.136 ( 0.000 0.000 0.000) 0.000 7.217 ( 0.000 0.000 0.000) 0.000 8.698 ( 0.000 0.000 0.000) 0.000 9.184 ( 0.000 0.000 0.000) 0.000 9.586 ( 0.000 0.000 0.000) 0.000 10.492 ( 0.000 0.000 0.000) 0.000 10.697 ( 0.000 0.000 0.000) 0.000 11.232 ( 0.000 0.000 0.000) 0.000 12.476 ( 0.000 0.000 0.000) 0.000 12.835 ( 0.000 0.000 0.000) 0.000 12.991 ( 0.000 0.000 0.000) 0.000 13.754 ( 0.000 0.000 0.000) 0.000 14.127 ( 0.000 0.000 0.000) 0.000 15.412 ( 0.000 0.000 0.000) 0.000 16.726 ( 0.000 0.000 0.000) 0.000 19.071 ( 0.000 0.000 0.000) 0.000 19.159 ( 0.000 0.000 0.000) 0.000 19.639 ( 0.000 0.000 0.000) 0.000 19.976 ( 0.000 0.000 0.000) 0.000 20.373 ( 0.000 0.000 0.000) 0.000 20.682 ( 0.000 0.000 0.000) 0.000 22.375 ( 0.000 0.000 0.000) 0.000 22.748 ( 0.000 0.000 0.000) 0.000 22.907 ( 0.000 0.000 0.000) 0.000 23.978 ( 0.000 0.000 0.000) 0.000 25.357 ( 0.000 0.000 0.000) 0.000 28.560 ( 0.000 0.000 0.000) 0.000 28.578 ( 0.000 0.000 0.000) 0.000 30.198 ( 0.000 0.000 0.000) 0.000 31.660 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 105 (32/124) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( 0.000 0.000 21.811) 21.811 0.448 ( 0.000 0.000 24.403) 24.403 1.179 ( 0.000 0.000 60.757) 60.757 2.182 ( 0.000 0.000 -7.175) 7.175 2.376 ( 0.000 0.000 -3.955) 3.955 2.843 ( 0.000 0.000 -4.847) 4.847 2.885 ( 0.000 0.000 -3.624) 3.624 3.026 ( 0.000 0.000 3.691) 3.691 3.304 ( 0.000 0.000 -0.917) 0.917 3.478 ( 0.000 0.000 -3.932) 3.932 3.812 ( 0.000 0.000 -9.759) 9.759 3.943 ( 0.000 0.000 1.753) 1.753 4.411 ( 0.000 0.000 7.999) 7.999 4.452 ( 0.000 0.000 -0.341) 0.341 5.092 ( 0.000 0.000 1.663) 1.663 5.926 ( 0.000 0.000 -32.708) 32.708 5.958 ( 0.000 0.000 -17.294) 17.294 6.206 ( 0.000 0.000 -22.978) 22.978 7.333 ( 0.000 0.000 31.798) 31.798 7.341 ( 0.000 0.000 19.109) 19.109 8.963 ( 0.000 0.000 24.202) 24.202 9.333 ( 0.000 0.000 -16.773) 16.773 9.386 ( 0.000 0.000 23.159) 23.159 10.388 ( 0.000 0.000 -12.475) 12.475 10.941 ( 0.000 0.000 20.460) 20.460 11.252 ( 0.000 0.000 -7.654) 7.654 12.750 ( 0.000 0.000 -17.859) 17.859 13.172 ( 0.000 0.000 5.384) 5.384 13.508 ( 0.000 0.000 -13.572) 13.572 13.891 ( 0.000 0.000 7.642) 7.642 14.076 ( 0.000 0.000 -5.714) 5.714 15.306 ( 0.000 0.000 -23.894) 23.894 17.224 ( 0.000 0.000 32.649) 32.649 19.063 ( 0.000 0.000 6.131) 6.131 19.442 ( 0.000 0.000 -2.639) 2.639 19.449 ( 0.000 0.000 0.796) 0.796 20.018 ( 0.000 0.000 -5.008) 5.008 20.116 ( 0.000 0.000 -9.927) 9.927 21.846 ( 0.000 0.000 2.441) 2.441 22.586 ( 0.000 0.000 -8.556) 8.556 22.890 ( 0.000 0.000 2.882) 2.882 23.327 ( 0.000 0.000 10.478) 10.478 23.567 ( 0.000 0.000 -9.025) 9.025 23.884 ( 0.000 0.000 5.747) 5.747 28.562 ( 0.000 0.000 0.026) 0.026 28.574 ( 0.000 0.000 -0.113) 0.113 31.341 ( 0.000 0.000 1.379) 1.379 31.699 ( 0.000 0.000 -2.594) 2.594 ======================= Grid point 106 (33/124) ======================= q-point: ( 0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 14.869 -17.632 16.593) 28.414 1.050 ( 21.624 -4.018 28.773) 36.217 1.468 ( 40.056 -7.112 31.280) 51.317 2.221 ( 2.382 -1.992 -4.903) 5.803 2.391 ( 0.714 -2.465 -3.522) 4.357 2.866 ( -0.892 1.175 -3.234) 3.555 2.878 ( 1.773 -1.727 -4.562) 5.191 3.062 ( 2.217 2.037 2.844) 4.142 3.244 ( -3.966 3.762 -0.448) 5.485 3.442 ( -2.657 2.254 -3.740) 5.112 3.872 ( 0.377 2.273 -3.313) 4.035 3.939 ( -0.083 0.381 0.883) 0.965 4.468 ( -1.904 -8.715 0.568) 8.939 4.614 ( 15.153 -3.130 -5.288) 16.352 5.489 ( 42.798 0.401 1.072) 42.814 5.544 ( -15.405 -1.305 -14.093) 20.920 6.184 ( -2.672 -1.292 -20.763) 20.974 6.449 ( 33.108 2.109 -22.694) 40.194 7.091 ( -3.873 0.197 13.404) 13.954 7.593 ( 12.920 2.965 29.230) 32.096 8.992 ( 3.043 -0.575 20.477) 20.710 9.390 ( 3.417 -2.191 -11.052) 11.774 9.417 ( 3.977 -1.367 20.030) 20.466 10.298 ( -3.996 -0.419 -0.894) 4.116 11.144 ( 17.501 0.310 8.982) 19.674 11.350 ( 9.971 0.506 -6.232) 11.769 12.392 ( -25.536 1.494 -6.504) 26.394 12.999 ( -25.177 2.977 12.508) 28.270 13.495 ( 23.559 1.225 -2.819) 23.758 13.659 ( -3.882 1.361 3.357) 5.310 14.909 ( 40.684 20.670 -40.052) 60.718 15.289 ( -2.371 -2.008 -28.676) 28.844 17.036 ( -18.953 0.310 33.219) 38.247 18.840 ( -22.274 -0.408 2.765) 22.449 19.418 ( -2.176 -0.476 -2.606) 3.428 19.444 ( 0.348 1.415 1.188) 1.880 20.086 ( -2.234 -0.190 -6.635) 7.004 20.089 ( 6.663 0.575 -5.347) 8.562 21.495 ( -8.475 30.606 39.008) 50.300 22.434 ( -3.362 10.310 4.591) 11.776 22.850 ( -2.080 -2.136 0.087) 2.983 23.001 ( -18.471 -13.312 9.299) 24.594 23.423 ( -30.964 -43.892 11.404) 54.912 23.745 ( -4.365 -1.698 0.725) 4.740 28.678 ( 12.553 -0.046 0.535) 12.565 29.473 ( 49.865 6.684 -39.168) 63.760 31.159 ( 1.161 27.228 9.453) 28.846 31.669 ( -3.818 -0.326 -2.575) 4.617 ======================= Grid point 107 (34/124) ======================= q-point: ( 0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 16.261 -14.797 16.935) 27.752 1.377 ( 13.356 -14.158 29.712) 35.519 2.234 ( 13.280 -0.835 -1.357) 13.376 2.329 ( 25.830 -2.690 4.731) 26.397 2.443 ( 1.980 -3.156 -2.481) 4.476 2.806 ( -3.386 3.272 -1.364) 4.902 2.947 ( 4.545 0.105 -2.640) 5.257 3.010 ( -6.359 -0.718 2.618) 6.914 3.132 ( -5.116 2.289 0.591) 5.636 3.371 ( -1.603 2.767 -3.528) 4.762 3.804 ( -5.125 0.276 0.921) 5.215 3.933 ( 0.299 1.509 -0.015) 1.538 4.516 ( -3.213 -11.062 1.687) 11.642 4.796 ( 1.257 -1.738 6.306) 6.661 5.422 ( 0.662 2.091 -15.099) 15.257 6.131 ( -5.499 -2.675 -15.524) 16.685 6.500 ( 66.532 0.284 1.093) 66.542 7.052 ( 20.856 0.112 -18.494) 27.875 7.279 ( 38.232 2.713 5.999) 38.794 7.827 ( 18.708 3.294 18.305) 26.380 9.016 ( -5.700 -2.139 19.486) 20.415 9.427 ( 3.502 -0.892 -26.655) 26.899 9.608 ( 15.340 -0.729 27.259) 31.287 10.378 ( 10.974 -1.910 10.844) 15.546 11.363 ( 1.096 1.379 -9.014) 9.184 11.563 ( 13.450 0.411 -3.721) 13.962 12.039 ( -6.601 0.858 9.741) 11.798 12.603 ( -20.654 0.946 5.526) 21.402 13.561 ( -5.639 1.621 1.931) 6.177 13.848 ( 16.337 3.098 -3.748) 17.045 15.095 ( -0.694 7.527 -31.397) 32.294 15.328 ( 10.366 10.084 -34.089) 37.030 16.655 ( -20.090 0.159 35.017) 40.371 18.376 ( -28.832 -0.406 0.375) 28.837 19.388 ( -2.138 -1.608 -4.026) 4.834 19.441 ( 1.327 2.830 1.298) 3.384 20.049 ( -1.103 1.696 -4.161) 4.626 20.193 ( 4.594 1.108 -6.007) 7.643 21.312 ( 5.748 11.544 33.013) 35.442 22.363 ( -0.377 2.474 -0.090) 2.504 22.820 ( -14.162 -8.420 5.214) 17.281 22.857 ( -4.876 -6.390 -4.987) 9.460 23.267 ( -17.605 -22.493 11.940) 30.958 23.678 ( -5.903 -2.865 -0.284) 6.568 28.981 ( 20.266 -0.234 1.532) 20.326 29.991 ( 19.102 4.533 -21.248) 28.930 31.017 ( 8.521 25.000 5.135) 26.907 31.576 ( -6.485 -0.135 -2.907) 7.108 ======================= Grid point 108 (35/124) ======================= q-point: ( 0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 17.222 -13.522 15.597) 26.883 1.768 ( 14.050 -15.752 16.437) 26.753 2.291 ( 2.058 0.446 -0.924) 2.300 2.477 ( -0.631 -2.825 -2.924) 4.115 2.657 ( -0.251 8.372 1.459) 8.502 2.742 ( 4.333 6.700 -4.352) 9.089 2.885 ( -10.411 -5.112 5.153) 12.691 3.005 ( -1.855 4.837 3.328) 6.158 3.129 ( 12.490 -3.158 2.465) 13.117 3.385 ( 4.823 0.533 -3.075) 5.744 3.728 ( -3.727 -2.843 -1.250) 4.852 3.920 ( -1.055 -0.548 -1.397) 1.834 4.532 ( -4.884 -8.966 4.459) 11.141 4.738 ( -6.656 -0.040 13.706) 15.237 5.464 ( 5.514 3.064 -8.570) 10.641 6.031 ( -7.752 -1.568 -9.600) 12.438 7.289 ( 10.933 -1.859 -4.977) 12.155 7.658 ( 56.361 0.654 4.856) 56.573 7.989 ( 29.200 0.596 -3.607) 29.428 8.419 ( 53.812 5.321 0.656) 54.079 8.844 ( -7.378 -2.102 3.756) 8.542 9.584 ( 10.705 -0.838 -21.169) 23.736 9.935 ( 19.471 -0.396 28.204) 34.274 10.624 ( 12.074 -1.944 16.059) 20.186 11.147 ( -16.498 1.356 -14.576) 22.056 11.781 ( 9.083 -0.015 -0.768) 9.116 12.138 ( 8.395 0.518 14.208) 16.511 12.210 ( -19.909 -0.398 0.856) 19.932 13.438 ( -6.173 1.570 2.498) 6.842 13.944 ( -4.059 4.856 -1.427) 6.489 14.990 ( -2.192 1.028 -37.258) 37.337 15.387 ( 5.359 9.066 -25.825) 27.890 16.419 ( -4.784 0.100 32.650) 32.999 17.843 ( -30.870 -0.116 2.400) 30.963 19.373 ( -1.414 -2.388 -4.686) 5.446 19.438 ( 1.604 4.005 0.497) 4.343 20.023 ( 0.803 3.137 -2.939) 4.373 20.218 ( -0.838 0.673 -6.117) 6.211 21.400 ( 9.947 2.998 19.940) 22.485 22.327 ( -1.689 5.236 -4.450) 7.076 22.602 ( -11.106 1.174 8.271) 13.897 22.789 ( -16.222 -20.466 -4.146) 26.443 23.230 ( -1.406 -6.428 8.629) 10.852 23.585 ( -7.165 -2.922 0.398) 7.748 29.368 ( 21.853 -0.703 2.162) 21.971 30.174 ( 5.618 1.781 -7.792) 9.770 31.006 ( 12.147 20.525 -0.876) 23.866 31.450 ( -8.300 -1.639 -3.473) 9.145 ======================= Grid point 109 (36/124) ======================= q-point: ( 0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 15.222 -13.293 8.797) 22.040 2.112 ( 10.843 -10.552 9.380) 17.802 2.316 ( 1.343 1.719 0.218) 2.192 2.476 ( -1.302 -2.079 -1.412) 2.831 2.541 ( -2.640 7.156 1.239) 7.727 2.643 ( -8.635 5.473 2.149) 10.447 2.783 ( -3.801 -3.535 2.506) 5.764 2.899 ( -2.894 7.130 3.442) 8.430 3.369 ( 9.901 1.481 2.300) 10.272 3.461 ( 2.446 0.549 0.015) 2.506 3.752 ( 2.726 -4.900 -4.837) 7.405 3.910 ( -2.095 -2.734 -2.620) 4.328 4.510 ( -4.145 -5.696 8.689) 11.186 4.609 ( -6.041 1.749 15.047) 16.308 5.561 ( 7.600 1.110 -3.382) 8.392 5.885 ( -9.131 0.337 -5.029) 10.430 7.515 ( 13.343 -1.565 3.963) 14.007 8.077 ( -7.722 1.426 17.884) 19.532 8.455 ( 25.204 0.309 -18.940) 31.529 8.889 ( 14.730 -1.446 -29.064) 32.615 9.504 ( 53.385 2.555 -3.119) 53.537 9.810 ( 16.873 -0.876 3.673) 17.290 10.258 ( 15.979 0.633 27.819) 32.088 10.801 ( 7.977 -0.293 11.632) 14.108 10.887 ( -13.255 -0.740 -10.694) 17.048 11.594 ( -29.288 -0.827 1.826) 29.357 12.070 ( 6.820 -0.759 -3.891) 7.889 12.277 ( 2.301 0.741 12.079) 12.319 13.340 ( -2.657 0.647 3.724) 4.621 13.657 ( -18.761 3.905 -0.391) 19.167 15.061 ( 8.825 -0.379 -33.359) 34.509 15.358 ( -2.011 4.601 -24.453) 24.963 16.486 ( 11.863 0.193 24.604) 27.315 17.297 ( -29.832 0.059 7.426) 30.743 19.380 ( -0.760 -3.422 -4.132) 5.418 19.425 ( 1.235 4.671 -0.990) 4.932 20.031 ( 3.331 3.090 -2.817) 5.346 20.164 ( -4.561 -0.619 -5.220) 6.960 21.591 ( 12.335 -0.805 10.617) 16.295 22.138 ( -13.108 5.215 -1.598) 14.197 22.506 ( 2.816 4.865 5.634) 7.959 22.667 ( -15.456 -17.372 -0.869) 23.269 23.292 ( 4.308 -0.392 4.918) 6.550 23.481 ( -7.068 -2.441 1.371) 7.602 29.742 ( 18.435 -1.251 2.069) 18.593 30.177 ( -3.674 1.153 -1.334) 4.076 31.074 ( 12.828 15.227 -3.763) 20.263 31.315 ( -9.995 -4.923 -3.959) 11.824 ======================= Grid point 110 (37/124) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 3.252 -7.580 1.107) 8.322 2.271 ( -3.252 7.580 1.107) 8.322 2.364 ( 7.967 -6.139 5.541) 11.483 2.364 ( -7.967 6.139 5.541) 11.483 2.493 ( 1.426 -2.913 2.348) 4.004 2.493 ( -1.426 2.913 2.348) 4.004 2.800 ( -1.128 -7.892 3.082) 8.547 2.800 ( 1.128 7.892 3.082) 8.547 3.459 ( -3.325 -2.891 1.119) 4.546 3.459 ( 3.325 2.891 1.119) 4.546 3.861 ( -4.294 -1.084 -4.371) 6.222 3.861 ( 4.294 1.084 -4.371) 6.222 4.518 ( 0.703 -3.570 13.034) 13.532 4.518 ( -0.703 3.570 13.034) 13.532 5.712 ( -9.134 0.684 -2.609) 9.524 5.712 ( 9.134 -0.684 -2.609) 9.524 7.800 ( -16.861 1.305 11.488) 20.444 7.800 ( 16.861 -1.305 11.488) 20.444 8.850 ( -16.861 -0.443 -31.002) 35.293 8.850 ( 16.861 0.443 -31.002) 35.293 10.064 ( -3.663 -1.552 14.299) 14.842 10.064 ( 3.663 1.552 14.299) 14.842 10.566 ( -23.091 -1.758 5.547) 23.812 10.566 ( 23.091 1.758 5.547) 23.812 11.070 ( -25.333 -1.154 0.389) 25.362 11.070 ( 25.333 1.154 0.389) 25.362 12.214 ( -6.899 1.034 3.621) 7.860 12.214 ( 6.899 -1.034 3.621) 7.860 13.377 ( -7.866 1.357 2.805) 8.461 13.377 ( 7.866 -1.357 2.805) 8.461 15.236 ( -8.247 1.677 -27.799) 29.045 15.236 ( 8.247 -1.677 -27.799) 29.045 16.811 ( -23.753 -0.021 15.236) 28.219 16.811 ( 23.753 0.021 15.236) 28.219 19.402 ( -0.758 -4.439 -2.730) 5.266 19.402 ( 0.758 4.439 -2.730) 5.266 20.086 ( -5.105 -2.258 -3.799) 6.753 20.086 ( 5.105 2.258 -3.799) 6.753 21.848 ( -13.415 2.085 4.067) 14.172 21.848 ( 13.415 -2.085 4.067) 14.172 22.560 ( -10.557 -11.831 1.876) 15.967 22.560 ( 10.557 11.831 1.876) 15.967 23.380 ( -6.086 -1.588 2.740) 6.861 23.380 ( 6.086 1.588 2.740) 6.861 30.026 ( -11.767 1.346 1.164) 11.901 30.026 ( 11.767 -1.346 1.164) 11.901 31.185 ( -11.707 -9.866 -4.259) 15.892 31.185 ( 11.707 9.866 -4.259) 15.892 ======================= Grid point 117 (38/124) ======================= q-point: ( 0.10 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 21.452 -0.000 14.123) 25.683 1.246 ( 11.854 -0.000 42.332) 43.960 2.255 ( 34.127 -0.000 1.080) 34.144 2.272 ( 3.735 -0.000 -2.292) 4.383 2.423 ( 10.316 -0.000 1.107) 10.375 2.836 ( -2.787 0.000 -1.924) 3.386 2.930 ( 2.455 -0.000 -4.926) 5.504 3.019 ( -5.625 0.000 3.001) 6.375 3.167 ( -6.085 0.000 -0.342) 6.095 3.396 ( -2.852 0.000 -3.861) 4.800 3.812 ( -6.157 0.000 2.211) 6.542 3.947 ( -0.366 0.000 0.575) 0.682 4.393 ( -1.573 0.000 3.643) 3.968 4.781 ( 2.267 -0.000 5.570) 6.014 5.439 ( 1.730 -0.000 -14.977) 15.076 6.105 ( -5.078 0.000 -16.911) 17.657 6.503 ( 66.409 -0.000 0.766) 66.414 7.051 ( 16.845 -0.000 -17.904) 24.583 7.307 ( 40.414 -0.000 4.170) 40.629 7.864 ( 19.311 -0.000 18.648) 26.846 8.991 ( -6.148 0.000 21.920) 22.766 9.418 ( 4.496 -0.000 -26.849) 27.223 9.601 ( 15.533 -0.000 27.703) 31.760 10.360 ( 10.770 -0.000 10.521) 15.056 11.376 ( 1.520 -0.000 -8.924) 9.052 11.566 ( 13.136 -0.000 -3.555) 13.609 12.047 ( -7.482 0.000 9.430) 12.038 12.612 ( -21.541 0.000 6.242) 22.428 13.576 ( -5.937 0.000 2.082) 6.291 13.876 ( 16.722 -0.000 -4.123) 17.223 15.157 ( -8.918 0.000 -32.923) 34.109 15.447 ( 11.726 -0.000 -40.514) 42.177 16.655 ( -20.355 0.000 35.263) 40.716 18.374 ( -28.464 0.000 0.517) 28.469 19.373 ( -2.194 0.000 -3.741) 4.337 19.466 ( 1.307 -0.000 1.014) 1.654 20.072 ( 0.466 -0.000 -6.462) 6.479 20.204 ( 4.516 -0.000 -6.372) 7.810 21.489 ( -2.919 0.000 41.290) 41.393 22.445 ( -8.009 0.000 -4.894) 9.386 22.457 ( -4.579 0.000 10.927) 11.848 22.872 ( -8.890 0.000 2.064) 9.127 23.114 ( -1.591 0.000 8.967) 9.107 23.652 ( -5.544 0.000 -0.437) 5.561 28.979 ( 20.187 -0.000 1.622) 20.252 30.027 ( 16.003 -0.000 -19.855) 25.501 31.282 ( 1.566 -0.000 -4.002) 4.298 31.571 ( -6.799 0.000 -2.965) 7.418 ======================= Grid point 118 (39/124) ======================= q-point: ( 0.20 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 19.927 -5.296 12.840) 24.290 1.539 ( 16.406 -8.071 29.981) 35.117 2.325 ( 3.582 2.960 -1.229) 4.807 2.414 ( 0.982 -3.813 -2.737) 4.795 2.758 ( -3.519 2.709 1.247) 4.613 2.822 ( -9.820 -1.416 4.891) 11.062 2.882 ( 13.586 6.683 -3.463) 15.532 3.042 ( 2.853 -1.115 -1.797) 3.551 3.095 ( 7.495 -0.347 0.573) 7.525 3.389 ( 3.482 -0.025 -4.071) 5.357 3.702 ( -5.704 -0.314 1.658) 5.948 3.914 ( -3.090 -0.179 -1.001) 3.253 4.386 ( -2.714 -5.693 6.402) 8.987 4.736 ( -5.574 -0.108 14.114) 15.175 5.504 ( 4.792 1.248 -10.257) 11.390 6.008 ( -6.327 -0.830 -11.915) 13.516 7.265 ( 11.206 -0.723 -5.062) 12.318 7.667 ( 57.221 0.273 4.089) 57.367 7.995 ( 28.161 0.164 -4.433) 28.508 8.513 ( 55.161 4.148 -0.187) 55.317 8.795 ( -10.326 -2.641 6.802) 12.644 9.573 ( 10.622 -0.348 -20.786) 23.345 9.930 ( 19.998 -0.135 29.389) 35.548 10.597 ( 12.885 -0.917 16.243) 20.754 11.165 ( -17.598 0.546 -14.491) 22.803 11.780 ( 8.727 -0.062 -0.282) 8.732 12.147 ( 10.716 0.412 14.578) 18.098 12.203 ( -22.781 -0.272 0.479) 22.788 13.457 ( -6.798 0.561 2.349) 7.214 14.004 ( -4.404 1.803 -1.671) 5.044 15.004 ( -4.293 0.424 -37.609) 37.855 15.515 ( 0.430 4.352 -30.221) 30.536 16.418 ( -4.753 -0.114 32.948) 33.289 17.845 ( -30.580 0.131 3.344) 30.763 19.343 ( -1.592 -0.884 -4.392) 4.754 19.487 ( 1.658 1.440 0.274) 2.213 20.084 ( 2.111 2.712 -7.267) 8.038 20.230 ( -1.326 0.474 -6.784) 6.928 21.488 ( 6.012 5.495 28.419) 29.563 22.341 ( -8.140 -9.894 -4.344) 13.529 22.461 ( -1.293 -3.224 2.987) 4.581 22.616 ( -15.871 -0.991 6.083) 17.026 23.182 ( 5.726 -0.731 4.804) 7.510 23.549 ( -6.513 -1.116 0.332) 6.616 29.361 ( 21.663 -0.197 2.400) 21.796 30.192 ( 4.272 0.431 -6.620) 7.891 31.291 ( 5.126 9.711 -6.462) 12.741 31.428 ( -9.614 -0.868 -2.977) 10.102 ======================= Grid point 119 (40/124) ======================= q-point: ( 0.30 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 16.550 -8.352 9.076) 20.640 1.916 ( 15.527 -10.145 17.995) 25.842 2.352 ( 2.104 2.517 -0.233) 3.289 2.441 ( -0.654 -1.956 -1.808) 2.743 2.637 ( -7.269 1.314 4.546) 8.674 2.670 ( -6.752 1.526 4.591) 8.307 2.838 ( -2.991 6.505 -3.044) 7.780 3.018 ( 0.415 5.528 -0.364) 5.556 3.399 ( 13.922 1.676 -0.575) 14.035 3.490 ( 5.047 2.429 -1.202) 5.728 3.657 ( 1.171 -5.081 -1.546) 5.439 3.859 ( -3.893 -2.858 -3.047) 5.710 4.390 ( -2.589 -6.690 9.558) 11.950 4.627 ( -5.656 0.400 16.378) 17.331 5.585 ( 5.939 1.283 -4.974) 7.852 5.888 ( -7.753 0.019 -6.827) 10.330 7.491 ( 13.692 -1.038 3.384) 14.143 8.098 ( -8.442 0.896 19.377) 21.156 8.458 ( 25.128 0.064 -19.571) 31.851 8.868 ( 15.362 -0.868 -29.140) 32.952 9.545 ( 52.531 1.931 -3.190) 52.663 9.795 ( 16.441 -0.721 3.785) 16.887 10.269 ( 17.412 0.531 28.940) 33.779 10.794 ( 9.776 -0.440 12.526) 15.895 10.880 ( -14.797 -0.170 -10.792) 18.315 11.581 ( -30.060 -0.574 2.549) 30.174 12.058 ( 6.503 -0.493 -3.478) 7.391 12.288 ( 2.742 0.500 11.206) 11.548 13.348 ( -4.118 0.218 3.483) 5.398 13.711 ( -21.146 2.178 -0.931) 21.278 15.056 ( 8.177 -0.202 -32.697) 33.705 15.430 ( -5.695 3.248 -27.048) 27.831 16.488 ( 11.822 0.027 24.367) 27.084 17.300 ( -29.765 0.203 8.671) 31.003 19.331 ( -1.303 -2.006 -3.528) 4.262 19.494 ( 1.174 2.891 -1.297) 3.379 20.102 ( 3.396 4.297 -6.680) 8.638 20.164 ( -4.954 0.283 -5.522) 7.424 21.603 ( 10.507 2.360 15.463) 18.844 22.200 ( -16.224 -1.477 -0.118) 16.291 22.360 ( -9.836 -11.444 4.387) 15.715 22.573 ( 7.172 1.420 0.629) 7.339 23.294 ( 6.479 0.363 3.207) 7.238 23.445 ( -6.250 -1.487 1.777) 6.666 29.726 ( 18.297 -0.600 2.380) 18.461 30.193 ( -3.581 0.620 -1.272) 3.850 31.237 ( -11.971 -2.328 -3.228) 12.615 31.314 ( 5.808 9.675 -6.302) 12.925 ======================= Grid point 120 (41/124) ======================= q-point: ( 0.40 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 9.263 -9.700 2.671) 13.676 2.240 ( 11.161 -7.222 8.401) 15.726 2.347 ( -0.470 1.769 1.439) 2.328 2.446 ( -1.098 -1.761 3.625) 4.177 2.475 ( -8.475 2.468 5.646) 10.478 2.561 ( -1.307 5.478 1.079) 5.734 2.746 ( -2.181 1.899 0.711) 2.978 2.975 ( 2.594 10.394 0.486) 10.724 3.435 ( -3.799 0.107 0.882) 3.901 3.535 ( 2.204 5.456 0.686) 5.924 3.802 ( 3.423 -4.521 -3.861) 6.860 3.857 ( 3.196 -2.371 -4.266) 5.834 4.432 ( 1.802 -5.555 12.772) 14.044 4.554 ( -1.439 0.662 14.191) 14.279 5.705 ( 7.443 0.001 -2.868) 7.977 5.732 ( -8.228 1.108 -2.693) 8.729 7.776 ( 16.781 -1.230 10.566) 19.868 7.819 ( -16.771 0.877 12.686) 21.047 8.842 ( -16.428 -0.479 -30.592) 34.727 8.856 ( 17.270 0.235 -31.482) 35.909 10.037 ( -2.648 -1.245 13.445) 13.760 10.094 ( 2.299 1.511 15.438) 15.681 10.542 ( -23.026 -0.919 5.960) 23.802 10.600 ( 23.092 1.934 4.599) 23.625 11.048 ( -23.712 -1.146 0.870) 23.756 11.088 ( 24.743 0.720 0.278) 24.755 12.196 ( 6.718 -0.933 4.247) 8.003 12.232 ( -6.875 0.881 3.014) 7.558 13.351 ( 5.260 -1.507 3.049) 6.264 13.395 ( -10.343 0.722 2.429) 10.649 15.209 ( 6.556 -1.253 -26.379) 27.210 15.265 ( -10.115 1.487 -29.369) 31.097 16.806 ( -0.290 -0.063 15.401) 15.404 16.816 ( -0.007 0.164 15.372) 15.373 19.331 ( -1.275 -3.352 -2.108) 4.160 19.477 ( 0.242 3.780 -3.442) 5.118 20.064 ( -4.983 -0.336 -3.290) 5.980 20.142 ( 4.393 3.829 -5.770) 8.201 21.804 ( 10.763 -1.133 5.171) 11.994 21.903 ( -13.560 2.385 5.281) 14.747 22.335 ( -5.744 -12.754 5.421) 15.002 22.730 ( 14.108 7.205 -3.234) 16.168 23.357 ( -4.320 -0.901 4.026) 5.974 23.408 ( 6.929 1.329 2.166) 7.380 30.004 ( 11.579 -1.020 1.303) 11.697 30.052 ( -11.058 1.351 0.796) 11.169 31.025 ( -16.280 -7.769 -2.251) 18.179 31.350 ( 6.757 8.310 -6.147) 12.349 ======================= Grid point 121 (42/124) ======================= q-point: (-0.50 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( -12.706 8.535 7.837) 17.196 2.244 ( -4.389 1.750 1.313) 4.904 2.278 ( -0.512 -0.809 2.172) 2.374 2.425 ( 2.768 -3.682 0.107) 4.608 2.514 ( 1.196 0.658 1.054) 1.725 2.562 ( 6.073 -1.657 1.852) 6.562 2.761 ( 3.093 -4.556 5.798) 7.997 2.946 ( 5.628 10.796 1.709) 12.294 3.355 ( -5.571 -0.123 1.940) 5.901 3.471 ( -4.748 1.456 1.683) 5.244 3.813 ( -0.321 1.942 -6.731) 7.013 3.950 ( 2.846 1.567 -1.136) 3.442 4.549 ( 6.049 -2.435 13.950) 15.399 4.581 ( 5.396 -0.235 8.793) 10.319 5.553 ( -9.439 0.267 -1.164) 9.514 5.877 ( 10.124 -0.426 -3.521) 10.727 7.542 ( -12.853 1.393 4.860) 13.812 8.051 ( 7.412 -1.493 16.544) 18.190 8.447 ( -25.522 -0.523 -18.345) 31.435 8.916 ( -13.438 1.497 -29.051) 32.043 9.463 ( -54.660 -1.913 -3.252) 54.790 9.824 ( -17.509 0.675 3.422) 17.853 10.248 ( -14.617 -0.566 26.642) 30.394 10.803 ( -5.842 -0.141 11.404) 12.814 10.906 ( 11.015 1.381 -11.062) 15.671 11.608 ( 28.342 0.715 0.887) 28.365 12.084 ( -6.945 0.791 -4.370) 8.244 12.264 ( -1.720 -0.697 13.229) 13.359 13.326 ( 1.042 -0.941 3.943) 4.185 13.581 ( 15.917 -4.422 0.174) 16.521 15.069 ( -9.657 0.423 -34.252) 35.590 15.281 ( -1.476 -3.931 -22.037) 22.434 16.482 ( -12.068 -0.242 25.373) 28.098 17.298 ( 30.138 0.162 6.343) 30.798 19.342 ( -1.434 -4.447 -0.627) 4.714 19.444 ( 0.013 3.650 -5.061) 6.240 20.001 ( -2.220 -0.482 -0.935) 2.457 20.190 ( 3.501 2.189 -5.740) 7.071 21.617 ( -13.480 1.728 8.533) 16.047 22.057 ( 11.305 -3.480 -1.431) 11.915 22.383 ( 1.082 -8.537 8.828) 12.328 22.921 ( 14.530 10.212 -7.641) 19.333 23.322 ( 2.962 3.424 8.050) 9.236 23.524 ( 7.924 2.331 1.291) 8.360 29.769 ( -18.338 1.868 1.495) 18.493 30.153 ( 3.020 -1.551 -1.912) 3.896 30.809 ( -18.111 -13.947 0.122) 22.859 31.407 ( 6.349 5.222 -5.432) 9.853 ======================= Grid point 122 (43/124) ======================= q-point: (-0.40 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -15.639 14.364 15.343) 26.198 2.024 ( -10.852 11.926 5.123) 16.919 2.300 ( 0.504 0.439 -0.875) 1.101 2.472 ( -2.030 -4.371 -2.956) 5.653 2.555 ( 3.403 -0.777 0.463) 3.522 2.651 ( 1.113 -3.262 -1.949) 3.960 2.895 ( 3.834 -6.588 7.383) 10.612 3.007 ( 10.001 7.965 2.350) 13.000 3.204 ( -8.808 5.446 4.383) 11.245 3.369 ( -5.828 -1.019 -0.358) 5.927 3.793 ( 1.693 3.943 -4.550) 6.254 3.935 ( -1.742 1.341 -0.892) 2.373 4.648 ( 5.927 3.409 5.078) 8.516 4.735 ( 9.062 -0.579 10.157) 13.624 5.408 ( -7.711 -2.899 -4.542) 9.407 6.055 ( 9.659 1.058 -6.741) 11.826 7.326 ( -10.441 2.223 -4.690) 11.660 7.646 ( -55.176 -0.654 5.792) 55.483 7.974 ( -30.799 -1.006 -2.150) 30.890 8.347 ( -56.047 -2.641 -0.973) 56.118 8.860 ( 7.700 -0.134 2.288) 8.034 9.600 ( -10.523 0.921 -21.989) 24.394 9.943 ( -18.753 0.445 26.646) 32.586 10.657 ( -11.082 1.695 15.983) 19.522 11.121 ( 14.478 -1.482 -14.883) 20.816 11.779 ( -9.543 -0.264 -1.610) 9.682 12.132 ( -8.449 -0.086 15.377) 17.545 12.217 ( 19.180 0.465 -0.180) 19.187 13.405 ( 5.397 -2.016 2.692) 6.359 13.843 ( 3.519 -6.337 -1.006) 7.318 14.971 ( -0.816 -0.988 -36.386) 36.409 15.230 ( -9.585 -8.288 -22.150) 25.518 16.414 ( 4.735 -0.346 33.069) 33.408 17.850 ( 31.549 0.641 1.415) 31.587 19.357 ( -1.593 -4.898 0.679) 5.195 19.423 ( 1.044 3.085 -5.368) 6.278 19.995 ( 1.265 -0.007 -0.414) 1.331 20.213 ( -0.106 0.255 -5.699) 5.705 21.381 ( -11.972 0.345 14.496) 18.803 22.237 ( 4.632 -4.492 -3.816) 7.497 22.540 ( 9.306 -5.393 8.862) 13.936 23.005 ( 2.290 4.708 -6.949) 8.701 23.457 ( 22.030 16.869 7.549) 28.755 23.647 ( 9.071 4.165 0.510) 9.994 29.387 ( -22.144 1.489 1.666) 22.256 30.117 ( -10.958 -5.144 -10.629) 16.109 30.651 ( -14.555 -17.706 7.391) 24.083 31.485 ( 5.912 2.176 -4.592) 7.796 ======================= Grid point 123 (44/124) ======================= q-point: (-0.30 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -13.374 15.695 22.419) 30.460 1.670 ( -14.776 16.364 8.666) 23.690 2.294 ( -0.826 5.244 -2.088) 5.704 2.350 ( -18.467 0.146 2.454) 18.630 2.532 ( -1.565 5.996 -0.920) 6.264 2.729 ( 4.185 -5.034 0.499) 6.565 2.931 ( -3.731 -0.466 5.529) 6.686 3.035 ( -0.139 2.387 3.190) 3.987 3.144 ( 6.487 3.166 -1.528) 7.379 3.310 ( -1.726 -3.454 -2.311) 4.500 3.815 ( 3.036 1.579 -1.408) 3.700 3.897 ( -2.292 -2.397 -1.219) 3.533 4.688 ( 3.502 7.058 -0.006) 7.879 4.841 ( 1.292 3.382 6.937) 7.825 5.359 ( 0.242 -5.235 -14.239) 15.173 6.186 ( 6.679 3.224 -12.474) 14.512 6.494 ( -66.769 -0.353 1.828) 66.794 7.035 ( -34.775 -1.953 -15.823) 38.255 7.242 ( -27.162 -0.708 5.162) 27.657 7.776 ( -17.442 -2.090 16.416) 24.043 9.041 ( 4.640 0.385 16.311) 16.963 9.446 ( -2.175 1.206 -26.413) 26.530 9.624 ( -14.887 1.048 26.241) 30.188 10.416 ( -11.624 2.098 11.404) 16.419 11.330 ( -0.052 -2.280 -9.262) 9.538 11.552 ( -14.134 -0.725 -4.142) 14.746 12.020 ( 4.272 -1.186 10.669) 11.553 12.584 ( 18.741 -1.051 3.662) 19.125 13.525 ( 5.387 -2.255 1.535) 6.038 13.772 ( -15.359 -5.318 -2.839) 16.499 14.917 ( -17.196 -10.502 -22.544) 30.236 15.184 ( 0.403 -6.412 -32.420) 33.051 16.648 ( 19.490 -0.576 35.072) 40.128 18.391 ( 29.526 1.175 0.090) 29.549 19.371 ( -1.459 -4.725 1.487) 5.164 19.426 ( 1.982 2.597 -4.609) 5.649 20.039 ( 3.799 0.811 -2.135) 4.433 20.172 ( -4.960 -1.099 -5.383) 7.401 21.187 ( -10.907 -3.258 22.688) 25.384 22.322 ( 2.144 -2.214 -0.896) 3.210 22.753 ( 6.950 -5.968 2.677) 9.544 22.981 ( 0.828 2.985 -0.477) 3.134 23.711 ( 13.250 8.717 3.248) 16.189 23.824 ( 30.290 24.940 -0.462) 39.239 28.988 ( -20.549 0.679 1.262) 20.599 29.843 ( -29.067 -12.815 -20.945) 38.050 30.605 ( -8.634 -18.015 16.299) 25.782 31.576 ( 5.174 -0.068 -3.599) 6.303 ======================= Grid point 124 (45/124) ======================= q-point: (-0.20 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -7.631 19.149 22.472) 30.494 1.178 ( -29.941 10.480 12.368) 34.048 1.738 ( -24.793 23.030 23.652) 41.285 2.289 ( 0.757 5.509 -4.334) 7.050 2.465 ( -1.115 5.234 -2.561) 5.933 2.830 ( 2.055 -2.826 -1.564) 3.828 2.887 ( -1.347 -1.871 1.109) 2.558 2.996 ( -5.933 -3.824 2.085) 7.360 3.203 ( 2.621 0.120 -2.871) 3.889 3.368 ( 2.008 -5.878 -2.606) 6.736 3.838 ( -0.325 -1.370 -3.433) 3.710 3.915 ( 0.787 -2.158 -1.227) 2.604 4.616 ( -7.799 6.697 2.245) 10.522 4.715 ( -3.925 6.789 -6.309) 10.065 5.474 ( -40.823 -1.485 -0.215) 40.850 5.560 ( 15.275 -0.602 -18.074) 23.672 6.225 ( 0.258 3.048 -18.342) 18.596 6.388 ( -29.436 -4.156 -17.009) 34.250 7.091 ( 1.369 0.326 7.460) 7.592 7.537 ( -13.311 -2.340 27.573) 30.707 8.999 ( -4.287 0.093 17.483) 18.001 9.422 ( -6.333 1.562 21.462) 22.432 9.466 ( 1.468 2.867 -10.038) 10.542 10.309 ( 2.431 0.613 -0.202) 2.516 11.134 ( -17.032 -0.791 9.039) 19.298 11.335 ( -10.237 -1.196 -6.224) 12.040 12.343 ( 23.559 -3.846 -6.397) 24.714 12.918 ( 17.361 -5.240 11.001) 21.211 13.453 ( -22.209 -3.360 -2.074) 22.557 13.627 ( 3.001 -1.749 1.509) 3.787 14.548 ( -36.190 -15.456 -18.046) 43.293 15.271 ( 2.531 -3.464 -28.538) 28.859 17.023 ( 18.414 -1.166 33.245) 38.022 18.854 ( 22.168 1.103 2.800) 22.371 19.390 ( -0.772 -4.279 1.596) 4.632 19.440 ( 1.555 1.779 -3.521) 4.240 20.071 ( -6.601 -1.331 -5.017) 8.397 20.102 ( 3.945 1.685 -6.407) 7.711 21.085 ( -6.724 -12.831 33.550) 36.544 22.365 ( 1.329 -1.204 1.659) 2.443 22.826 ( -1.903 -3.271 -3.804) 5.366 23.051 ( 6.890 -0.459 6.541) 9.512 23.796 ( 4.118 3.918 1.095) 5.789 24.283 ( 51.975 38.956 -8.988) 65.573 28.680 ( -12.649 0.178 0.467) 12.659 29.265 ( -50.994 -14.994 -24.519) 58.536 30.657 ( -4.712 -21.645 24.675) 33.159 31.660 ( 3.357 -1.114 -2.583) 4.379 ======================= Grid point 125 (46/124) ======================= q-point: (-0.10 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 0.000 13.453 17.894) 22.387 0.818 ( 0.000 26.815 17.352) 31.939 1.333 ( 0.000 19.160 48.168) 51.839 2.235 ( 0.000 5.850 -6.935) 9.072 2.413 ( 0.000 3.972 -3.286) 5.155 2.859 ( -0.000 -1.849 -2.336) 2.980 2.897 ( 0.000 2.534 -2.980) 3.911 2.957 ( -0.000 -7.601 4.177) 8.673 3.249 ( -0.000 -3.080 -2.598) 4.030 3.438 ( -0.000 -4.515 -3.232) 5.552 3.820 ( 0.000 0.683 -9.394) 9.419 3.934 ( -0.000 -1.434 -0.765) 1.626 4.444 ( 0.000 3.635 7.212) 8.076 4.623 ( 0.000 11.916 -7.662) 14.167 5.088 ( -0.000 -0.572 1.542) 1.645 5.919 ( -0.000 -2.513 -34.483) 34.575 5.972 ( 0.000 1.530 -16.306) 16.378 6.224 ( 0.000 2.075 -22.555) 22.650 7.234 ( -0.000 -7.817 17.324) 19.006 7.342 ( 0.000 1.016 30.949) 30.965 8.962 ( -0.000 -0.139 24.135) 24.135 9.352 ( 0.000 1.509 13.301) 13.386 9.442 ( 0.000 4.099 -3.758) 5.561 10.385 ( -0.000 -0.329 -12.608) 12.612 10.938 ( -0.000 -0.300 20.676) 20.678 11.244 ( -0.000 -0.872 -7.633) 7.682 12.704 ( -0.000 -5.088 -17.317) 18.049 13.160 ( -0.000 -1.230 5.509) 5.645 13.323 ( -0.000 -20.623 11.005) 23.376 13.678 ( -0.000 -5.462 6.303) 8.340 14.075 ( -0.000 -0.062 -5.729) 5.729 15.315 ( -0.000 -1.186 -25.902) 25.929 17.215 ( -0.000 -1.072 32.560) 32.577 19.069 ( 0.000 0.637 6.050) 6.084 19.418 ( -0.000 -3.268 0.895) 3.388 19.445 ( 0.000 0.470 -2.759) 2.799 20.010 ( -0.000 -0.858 -4.931) 5.005 20.129 ( 0.000 1.468 -10.056) 10.163 21.238 ( -0.000 -34.263 40.068) 52.720 22.399 ( -0.000 -4.063 3.782) 5.551 22.825 ( -0.000 -2.147 -2.209) 3.080 23.145 ( -0.000 -3.521 7.026) 7.859 23.798 ( 0.000 3.888 -0.125) 3.890 24.693 ( 0.000 42.250 -42.533) 59.951 28.562 ( -0.000 -0.013 0.028) 0.031 28.574 ( 0.000 0.035 -0.116) 0.121 30.842 ( -0.000 -31.714 29.683) 43.438 31.702 ( -0.000 -0.866 -2.113) 2.284 ======================= Grid point 128 (47/124) ======================= q-point: ( 0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 16.896 -0.000 8.918) 19.105 1.815 ( 17.792 -0.000 22.193) 28.444 2.394 ( -0.852 0.000 -1.481) 1.709 2.407 ( 2.785 -0.000 -0.846) 2.911 2.629 ( -9.625 0.000 6.713) 11.735 2.701 ( -3.652 0.000 1.972) 4.151 2.905 ( -5.475 0.000 -1.785) 5.758 3.071 ( 2.397 -0.000 -2.599) 3.535 3.416 ( 16.901 -0.000 -3.496) 17.258 3.520 ( 10.749 -0.000 -3.223) 11.222 3.605 ( -3.983 0.000 1.805) 4.372 3.828 ( -6.182 0.000 -2.369) 6.620 4.322 ( -1.373 0.000 10.329) 10.420 4.629 ( -5.693 0.000 16.852) 17.787 5.597 ( 5.325 -0.000 -5.443) 7.614 5.887 ( -7.085 0.000 -7.704) 10.467 7.481 ( 13.816 -0.000 3.189) 14.180 8.107 ( -8.863 0.000 20.075) 21.944 8.458 ( 25.161 -0.000 -19.868) 32.060 8.860 ( 15.502 -0.000 -29.183) 33.044 9.563 ( 52.326 -0.000 -3.279) 52.429 9.788 ( 16.212 -0.000 3.836) 16.659 10.274 ( 18.038 -0.000 29.394) 34.488 10.789 ( 10.476 -0.000 12.990) 16.688 10.878 ( -15.292 0.000 -10.861) 18.756 11.576 ( -30.370 0.000 2.810) 30.500 12.054 ( 6.341 -0.000 -3.308) 7.152 12.293 ( 2.903 -0.000 10.879) 11.260 13.349 ( -4.704 0.000 3.376) 5.790 13.731 ( -22.081 0.000 -1.160) 22.111 15.054 ( 7.943 -0.000 -32.440) 33.399 15.461 ( -7.378 0.000 -28.275) 29.222 16.488 ( 11.878 -0.000 24.432) 27.166 17.302 ( -29.810 0.000 9.239) 31.209 19.312 ( -1.493 0.000 -3.314) 3.635 19.521 ( 1.205 -0.000 -1.463) 1.895 20.148 ( 3.367 -0.000 -9.058) 9.663 20.166 ( -5.411 0.000 -5.954) 8.046 21.642 ( 9.184 -0.000 20.495) 22.458 22.103 ( -10.463 0.000 -0.245) 10.466 22.317 ( -14.542 0.000 6.522) 15.938 22.582 ( 10.313 -0.000 -2.974) 10.733 23.298 ( 6.953 -0.000 2.856) 7.516 23.431 ( -5.912 0.000 2.010) 6.244 29.720 ( 18.215 -0.000 2.471) 18.382 30.198 ( -3.453 0.000 -1.316) 3.695 31.213 ( -14.052 0.000 -2.413) 14.258 31.408 ( 3.973 -0.000 -7.836) 8.786 ======================= Grid point 129 (48/124) ======================= q-point: ( 0.30 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 11.003 -3.774 5.166) 12.728 2.130 ( 14.198 -3.963 11.584) 18.748 2.361 ( -1.942 0.246 0.403) 1.999 2.429 ( -1.667 -0.328 2.518) 3.037 2.491 ( -4.732 0.256 5.409) 7.192 2.639 ( -2.018 2.448 2.212) 3.868 2.803 ( -3.999 2.592 -0.720) 4.820 3.120 ( 5.113 4.922 -2.772) 7.619 3.454 ( -5.361 1.441 0.876) 5.620 3.640 ( -1.487 5.908 -0.890) 6.157 3.725 ( 7.618 -3.095 -3.176) 8.815 3.783 ( 6.343 -5.420 -3.338) 8.986 4.351 ( 3.537 -2.802 12.983) 13.745 4.554 ( -2.448 -0.251 15.507) 15.701 5.708 ( 7.474 0.228 -2.955) 8.040 5.746 ( -8.629 0.434 -3.161) 9.200 7.760 ( 16.819 -0.502 10.096) 19.623 7.830 ( -16.833 0.287 13.610) 21.648 8.835 ( -16.219 -0.210 -30.380) 34.439 8.859 ( 17.592 0.059 -31.807) 36.348 10.023 ( -2.514 -0.435 13.060) 13.307 10.113 ( 2.000 0.592 16.274) 16.407 10.533 ( -22.999 -0.228 6.009) 23.772 10.626 ( 22.900 0.859 3.653) 23.206 11.034 ( -24.244 -0.445 1.443) 24.291 11.095 ( 26.081 0.184 0.349) 26.084 12.184 ( 6.851 -0.360 4.660) 8.293 12.243 ( -7.090 0.330 2.630) 7.569 13.330 ( 3.594 -0.678 3.144) 4.823 13.403 ( -11.818 0.191 2.121) 12.008 15.194 ( 5.641 -0.440 -25.556) 26.175 15.284 ( -11.423 0.582 -30.433) 32.512 16.809 ( 1.950 0.327 15.513) 15.638 16.815 ( -2.429 -0.264 15.749) 15.937 19.290 ( -1.570 -1.219 -1.757) 2.653 19.525 ( -0.028 1.475 -3.952) 4.219 20.065 ( -5.015 0.185 -3.296) 6.004 20.200 ( 3.469 2.111 -8.427) 9.354 21.819 ( 9.931 2.607 9.477) 13.972 21.907 ( -12.019 -2.212 6.109) 13.663 22.161 ( -4.409 -5.444 5.762) 9.071 22.811 ( 15.590 2.194 -7.149) 17.291 23.349 ( -2.725 -0.122 5.240) 5.907 23.424 ( 7.373 0.461 2.080) 7.675 29.992 ( 11.671 -0.362 1.321) 11.752 30.070 ( -10.700 0.580 0.379) 10.722 30.928 ( -19.103 -2.943 -0.872) 19.348 31.456 ( 3.491 3.266 -7.301) 8.727 ======================= Grid point 130 (49/124) ======================= q-point: (-0.60 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 4.914 -5.281 1.019) 7.285 2.251 ( -5.027 -0.618 -1.301) 5.229 2.318 ( -7.769 1.627 8.331) 11.506 2.412 ( 5.914 -0.664 5.483) 8.093 2.492 ( 3.018 -0.569 3.239) 4.463 2.597 ( 1.283 3.303 1.126) 3.718 2.743 ( 0.458 1.887 3.116) 3.672 3.140 ( 4.133 9.758 -3.300) 11.099 3.356 ( -4.571 -0.061 0.825) 4.645 3.504 ( -6.221 1.918 3.314) 7.305 3.832 ( 3.254 0.800 -7.224) 7.963 3.955 ( 5.828 -1.175 -0.511) 5.967 4.491 ( 8.589 -2.924 13.592) 16.342 4.561 ( 2.629 -1.943 10.483) 10.981 5.566 ( -10.401 0.907 0.323) 10.445 5.871 ( 10.404 -0.240 -2.709) 10.753 7.561 ( -12.413 0.761 5.772) 13.710 8.028 ( 7.502 -0.986 15.746) 17.469 8.439 ( -25.905 -0.417 -17.951) 31.519 8.938 ( -12.016 0.946 -29.098) 31.496 9.439 ( -55.735 -0.864 -3.508) 55.852 9.833 ( -18.225 0.350 3.049) 18.482 10.239 ( -13.881 -0.389 25.915) 29.401 10.798 ( -4.204 -0.289 11.978) 12.698 10.931 ( 9.076 1.214 -11.886) 15.004 11.618 ( 27.520 0.383 0.130) 27.523 12.096 ( -6.770 0.582 -4.822) 8.332 12.254 ( -1.200 -0.444 14.318) 14.375 13.310 ( -0.076 -0.701 4.051) 4.111 13.513 ( 13.667 -3.027 0.569) 14.010 15.075 ( -10.314 0.286 -35.251) 36.730 15.226 ( -3.730 -2.166 -20.282) 20.735 16.479 ( -12.255 -0.123 26.182) 28.908 17.301 ( 30.467 0.158 5.801) 31.015 19.279 ( -1.592 -2.573 -0.344) 3.045 19.499 ( -0.651 2.358 -5.921) 6.407 20.004 ( -1.193 0.550 -0.641) 1.461 20.232 ( 2.032 2.205 -7.120) 7.726 21.641 ( -13.665 0.937 8.050) 15.887 22.031 ( 10.463 0.724 1.842) 10.648 22.226 ( 4.061 -8.675 8.697) 12.938 23.024 ( 7.420 2.510 -9.974) 12.682 23.402 ( 13.761 4.630 7.806) 16.484 23.556 ( 8.409 1.139 1.605) 8.637 29.804 ( -17.744 1.833 0.801) 17.856 30.124 ( 0.952 -1.552 -3.129) 3.620 30.611 ( -20.286 -8.038 3.825) 22.153 31.486 ( 3.315 3.339 -6.524) 8.044 ======================= Grid point 131 (50/124) ======================= q-point: (-0.50 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( -14.080 8.168 12.273) 20.386 2.163 ( -8.470 3.907 2.894) 9.766 2.258 ( 2.072 -3.906 -3.127) 5.416 2.452 ( 0.541 1.799 -2.389) 3.039 2.548 ( 3.420 -0.352 3.589) 4.970 2.640 ( 2.985 1.162 0.565) 3.253 2.802 ( 4.460 -2.987 7.349) 9.101 3.132 ( 3.448 5.192 -3.572) 7.184 3.278 ( -4.164 0.620 0.850) 4.295 3.406 ( -1.160 7.334 5.873) 9.467 3.849 ( 0.899 2.376 -6.944) 7.394 3.972 ( -2.774 2.581 0.504) 3.823 4.662 ( 6.983 -0.888 8.756) 11.235 4.696 ( 9.657 -4.238 4.644) 11.524 5.376 ( -10.323 -0.699 0.516) 10.360 6.068 ( 11.080 0.384 -4.796) 12.079 7.362 ( -9.851 1.726 -4.187) 10.842 7.637 ( -54.207 -0.375 6.427) 54.588 7.956 ( -31.850 -0.971 -0.773) 31.874 8.322 ( -58.003 -0.495 -3.093) 58.088 8.847 ( 7.936 -1.029 2.028) 8.255 9.614 ( -9.990 0.691 -23.200) 25.269 9.949 ( -18.103 0.204 25.634) 31.382 10.681 ( -10.338 0.945 16.221) 19.259 11.099 ( 12.107 -0.984 -15.498) 19.691 11.772 ( -9.836 -0.424 -2.514) 10.161 12.133 ( -9.676 0.140 17.413) 19.922 12.227 ( 19.756 0.650 -1.919) 19.860 13.372 ( 4.944 -1.602 2.839) 5.922 13.735 ( 3.005 -5.485 -0.542) 6.278 14.959 ( -2.872 -0.303 -35.913) 36.028 15.107 ( -11.961 -5.557 -20.097) 24.038 16.409 ( 4.726 -0.254 33.739) 34.069 17.863 ( 32.232 0.681 0.932) 32.253 19.279 ( -1.524 -3.687 0.843) 4.077 19.474 ( 0.567 2.588 -6.224) 6.764 20.011 ( 2.807 1.453 -0.189) 3.166 20.225 ( -1.475 0.976 -5.929) 6.188 21.396 ( -12.889 1.023 12.100) 17.708 22.182 ( 6.470 -1.533 -0.857) 6.704 22.427 ( 9.364 -6.992 6.901) 13.572 23.041 ( -1.540 0.575 -3.702) 4.051 23.666 ( 12.020 4.907 2.856) 13.293 23.770 ( 26.962 10.301 0.143) 28.863 29.421 ( -22.292 2.398 0.922) 22.440 29.985 ( -21.970 -9.283 -11.123) 26.317 30.430 ( -7.370 -7.416 11.960) 15.886 31.522 ( 3.459 1.913 -5.682) 6.922 ======================= Grid point 132 (51/124) ======================= q-point: (-0.40 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -14.437 12.043 19.960) 27.420 1.899 ( -15.399 9.556 4.188) 18.601 2.307 ( -0.673 -2.226 -4.611) 5.164 2.418 ( -0.721 5.468 -3.060) 6.308 2.614 ( 2.044 1.978 2.922) 4.077 2.660 ( 1.346 -1.281 1.955) 2.697 2.901 ( 2.651 -2.792 7.276) 8.232 3.154 ( -1.438 -2.865 -3.782) 4.958 3.172 ( -3.371 9.946 4.159) 11.295 3.323 ( 0.364 8.181 2.876) 8.679 3.847 ( 0.104 -0.525 -4.254) 4.287 3.864 ( -5.046 1.093 -1.248) 5.311 4.756 ( 3.621 1.402 1.391) 4.125 4.894 ( 6.110 1.089 3.042) 6.912 5.247 ( -4.054 -6.646 -9.386) 12.194 6.234 ( 7.972 2.076 -9.887) 12.870 6.489 ( -67.007 -0.302 2.527) 67.055 6.998 ( -45.369 -1.822 -9.597) 46.409 7.253 ( -17.915 1.487 -0.701) 17.990 7.753 ( -16.286 -0.697 14.568) 21.862 9.031 ( 4.230 -1.254 15.207) 15.834 9.467 ( -2.042 1.148 -26.722) 26.825 9.642 ( -14.385 0.866 25.326) 29.139 10.446 ( -12.429 1.302 11.559) 17.023 11.288 ( 1.049 -2.347 -9.583) 9.922 11.539 ( -14.754 -0.783 -4.652) 15.489 12.001 ( 1.434 -0.958 12.039) 12.161 12.571 ( 17.006 -0.412 1.462) 17.074 13.489 ( 5.876 -1.763 1.125) 6.237 13.672 ( -14.195 -5.756 -1.783) 15.421 14.772 ( -21.873 -5.910 -15.722) 27.578 15.087 ( 3.377 -4.786 -34.183) 34.681 16.637 ( 18.858 -0.580 35.368) 40.086 18.414 ( 30.006 1.334 -0.021) 30.036 19.289 ( -1.328 -4.335 1.765) 4.865 19.473 ( 1.671 2.599 -5.719) 6.500 20.070 ( 5.275 2.300 -2.319) 6.204 20.158 ( -5.733 -0.476 -4.990) 7.616 21.165 ( -12.470 -0.023 16.947) 21.040 22.293 ( 4.623 -0.883 0.033) 4.707 22.637 ( 6.188 -7.004 0.964) 9.396 23.012 ( -0.028 0.983 2.053) 2.276 23.795 ( 7.634 3.696 2.425) 8.822 24.228 ( 36.691 17.774 -4.329) 40.999 29.007 ( -21.129 1.493 0.796) 21.197 29.579 ( -34.762 -15.260 -12.317) 39.912 30.406 ( -3.150 -6.106 14.191) 15.766 31.576 ( 3.464 0.070 -4.681) 5.824 ======================= Grid point 133 (52/124) ======================= q-point: (-0.30 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -16.389 11.352 20.256) 28.422 1.419 ( -22.084 14.403 14.220) 29.956 2.147 ( -8.667 17.793 2.877) 19.999 2.401 ( 4.246 7.097 -3.689) 9.056 2.566 ( -1.076 6.643 2.667) 7.239 2.725 ( -1.424 -8.632 3.850) 9.558 2.899 ( -1.911 4.367 5.441) 7.233 2.977 ( -7.461 3.333 2.336) 8.499 3.182 ( -0.466 -5.818 -3.583) 6.849 3.291 ( 0.880 0.170 -1.064) 1.391 3.818 ( 0.060 -1.331 -4.182) 4.389 3.875 ( 0.617 -1.934 -3.582) 4.118 4.721 ( -9.686 5.195 1.359) 11.075 4.811 ( -1.420 4.284 -3.572) 5.756 5.418 ( -17.818 -6.185 -9.898) 21.300 5.510 ( -9.753 -4.130 -9.416) 14.171 6.277 ( -10.031 2.226 -12.807) 16.420 6.332 ( -16.421 -1.323 -14.300) 21.815 7.105 ( -1.259 1.143 1.458) 2.240 7.519 ( -11.697 0.079 25.120) 27.710 8.995 ( -4.481 -0.503 16.761) 17.357 9.451 ( -5.922 1.623 24.825) 25.573 9.498 ( 1.505 0.879 -12.545) 12.666 10.317 ( 0.655 0.319 0.103) 0.736 11.118 ( -16.172 -0.967 9.316) 18.688 11.311 ( -10.630 -1.395 -6.363) 12.467 12.267 ( 20.435 -4.532 -6.024) 21.781 12.840 ( 11.831 -3.400 6.607) 13.971 13.384 ( -20.558 -4.284 -0.886) 21.018 13.606 ( 4.990 -0.656 -0.244) 5.039 14.374 ( -26.773 -5.635 -11.191) 29.560 15.191 ( 2.620 -5.073 -28.778) 29.339 16.998 ( 17.599 -1.484 33.499) 37.869 18.876 ( 21.816 1.363 2.797) 22.037 19.308 ( -0.945 -4.663 2.346) 5.305 19.478 ( 1.118 2.384 -5.252) 5.875 20.046 ( -6.637 -1.379 -4.647) 8.218 20.142 ( 4.570 2.710 -6.898) 8.707 20.970 ( -9.566 -2.414 22.900) 24.935 22.358 ( 2.387 0.265 1.002) 2.603 22.745 ( -0.012 -5.676 -4.850) 7.465 23.043 ( 3.559 -0.209 7.333) 8.154 23.870 ( 4.459 4.257 2.442) 6.631 24.755 ( 38.999 17.055 -12.888) 44.473 28.685 ( -12.986 0.430 0.330) 12.997 29.020 ( -40.391 -11.749 -9.722) 43.173 30.419 ( -1.942 -7.560 17.753) 19.393 31.637 ( 2.477 -1.370 -3.569) 4.555 ======================= Grid point 134 (53/124) ======================= q-point: (-0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 0.000 17.533 14.334) 22.647 1.176 ( 0.000 15.348 29.145) 32.939 1.826 ( 0.000 31.507 15.553) 35.136 2.371 ( 0.000 8.985 -6.359) 11.008 2.496 ( 0.000 5.163 0.115) 5.164 2.775 ( -0.000 -12.651 5.590) 13.830 2.842 ( 0.000 1.699 0.686) 1.832 2.916 ( 0.000 0.084 1.907) 1.908 3.216 ( -0.000 -2.293 -5.150) 5.638 3.338 ( -0.000 -5.454 -1.160) 5.576 3.830 ( 0.000 0.394 -8.733) 8.741 3.895 ( -0.000 -2.803 -3.089) 4.171 4.530 ( 0.000 5.834 5.318) 7.894 4.774 ( 0.000 5.803 -6.497) 8.711 5.071 ( -0.000 -1.379 1.277) 1.879 5.802 ( -0.000 -10.871 -30.359) 32.246 6.008 ( 0.000 2.393 -13.599) 13.808 6.274 ( 0.000 3.399 -21.473) 21.740 7.141 ( -0.000 -2.878 9.128) 9.571 7.367 ( 0.000 1.848 28.685) 28.744 8.959 ( -0.000 -0.233 23.955) 23.956 9.383 ( 0.000 2.025 22.069) 22.162 9.487 ( 0.000 1.108 -7.420) 7.502 10.377 ( -0.000 -0.532 -12.956) 12.966 10.931 ( -0.000 -0.413 21.202) 21.206 11.223 ( -0.000 -1.482 -7.581) 7.724 12.586 ( -0.000 -7.556 -15.354) 17.113 13.048 ( -0.000 -9.910 12.147) 15.677 13.131 ( -0.000 -1.972 5.834) 6.158 13.663 ( 0.000 1.068 -2.532) 2.749 14.074 ( -0.000 -0.109 -5.779) 5.780 15.258 ( -0.000 -4.667 -26.165) 26.578 17.188 ( -0.000 -1.895 32.726) 32.781 19.084 ( 0.000 1.021 5.842) 5.931 19.340 ( -0.000 -4.992 2.428) 5.551 19.468 ( 0.000 1.942 -4.953) 5.320 19.990 ( -0.000 -1.391 -4.727) 4.927 20.165 ( 0.000 2.438 -10.345) 10.629 20.917 ( -0.000 -7.398 29.491) 30.404 22.376 ( 0.000 0.173 1.738) 1.747 22.777 ( -0.000 -3.723 -5.136) 6.344 23.096 ( -0.000 -2.099 7.722) 8.002 23.872 ( 0.000 4.507 1.979) 4.922 25.112 ( 0.000 11.276 -29.166) 31.270 28.561 ( -0.000 -0.018 0.032) 0.037 28.575 ( 0.000 0.053 -0.122) 0.134 30.482 ( -0.000 -11.653 22.879) 25.676 31.676 ( -0.000 -1.822 -2.726) 3.279 ======================= Grid point 139 (54/124) ======================= q-point: ( 0.30 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 5.575 -0.000 2.853) 6.263 2.238 ( -2.202 0.000 -2.753) 3.525 2.331 ( -6.795 0.000 7.573) 10.175 2.397 ( 6.983 -0.000 7.420) 10.189 2.494 ( 2.294 -0.000 2.888) 3.688 2.630 ( 0.154 -0.000 1.835) 1.842 2.770 ( -0.442 0.000 1.922) 1.973 3.238 ( 2.781 -0.000 -7.170) 7.690 3.352 ( -5.650 0.000 1.991) 5.991 3.523 ( -5.650 0.000 3.563) 6.680 3.845 ( 4.840 -0.000 -7.652) 9.054 3.931 ( 8.144 -0.000 -0.229) 8.147 4.464 ( 9.615 -0.000 13.505) 16.578 4.538 ( 1.008 -0.000 12.031) 12.073 5.575 ( -10.617 0.000 0.734) 10.642 5.869 ( 10.407 -0.000 -2.475) 10.697 7.568 ( -12.236 0.000 6.173) 13.705 8.019 ( 7.600 -0.000 15.489) 17.253 8.435 ( -26.075 0.000 -17.812) 31.578 8.947 ( -11.398 0.000 -29.124) 31.275 9.431 ( -56.136 0.000 -3.642) 56.254 9.836 ( -18.556 0.000 2.853) 18.774 10.235 ( -13.698 0.000 25.701) 29.123 10.795 ( -3.585 0.000 12.346) 12.856 10.942 ( 8.312 -0.000 -12.310) 14.854 11.622 ( 27.183 -0.000 -0.148) 27.183 12.102 ( -6.630 0.000 -5.058) 8.339 12.249 ( -0.978 0.000 14.821) 14.853 13.304 ( -0.454 0.000 4.075) 4.100 13.485 ( 12.813 -0.000 0.710) 12.832 15.078 ( -10.553 0.000 -35.805) 37.328 15.207 ( -4.499 0.000 -19.520) 20.032 16.478 ( -12.326 0.000 26.513) 29.238 17.303 ( 30.602 -0.000 5.665) 31.122 19.256 ( -1.647 0.000 -0.231) 1.663 19.520 ( -0.916 0.000 -6.289) 6.355 20.010 ( -0.824 0.000 -0.675) 1.065 20.254 ( 1.257 -0.000 -8.015) 8.113 21.649 ( -13.487 0.000 8.154) 15.760 22.069 ( 13.367 -0.000 6.078) 14.684 22.115 ( 1.988 -0.000 5.840) 6.169 23.042 ( 4.922 -0.000 -9.709) 10.885 23.448 ( 17.800 -0.000 6.477) 18.942 23.565 ( 8.239 -0.000 1.897) 8.455 29.823 ( -17.210 0.000 0.459) 17.216 30.108 ( -0.767 0.000 -3.899) 3.974 30.539 ( -20.299 0.000 5.546) 21.043 31.516 ( 2.141 -0.000 -6.927) 7.250 ======================= Grid point 140 (55/124) ======================= q-point: (-0.60 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -10.322 0.664 9.964) 14.362 2.162 ( -5.767 -1.203 -0.413) 5.906 2.256 ( 2.274 1.713 -0.682) 2.927 2.464 ( 0.059 -0.368 -0.752) 0.839 2.554 ( 4.368 0.495 5.601) 7.120 2.661 ( 2.847 0.829 3.869) 4.874 2.795 ( 3.585 1.031 4.568) 5.898 3.172 ( -6.546 -0.065 -5.093) 8.294 3.279 ( -2.082 0.460 1.746) 2.756 3.538 ( 6.679 4.850 2.019) 8.497 3.888 ( 1.103 1.983 -8.195) 8.503 4.006 ( -0.793 0.871 0.434) 1.255 4.608 ( 5.828 -3.714 4.686) 8.350 4.646 ( 9.183 -0.817 10.416) 13.910 5.375 ( -11.436 0.211 3.251) 11.891 6.071 ( 11.763 0.068 -3.973) 12.416 7.383 ( -9.420 0.639 -3.753) 10.160 7.633 ( -53.698 -0.100 6.702) 54.115 7.943 ( -32.076 -0.406 -0.039) 32.079 8.320 ( -59.165 0.078 -4.325) 59.323 8.832 ( 7.865 -0.527 2.182) 8.179 9.623 ( -9.487 0.259 -24.258) 26.048 9.950 ( -17.703 0.018 25.386) 30.949 10.691 ( -9.936 0.279 16.550) 19.305 11.088 ( 10.433 -0.310 -16.099) 19.186 11.766 ( -9.930 -0.206 -3.101) 10.405 12.135 ( -10.430 0.069 18.814) 21.511 12.237 ( 20.181 0.363 -3.042) 20.412 13.352 ( 4.825 -0.594 2.911) 5.667 13.665 ( 2.694 -2.202 -0.229) 3.488 14.961 ( -2.270 0.323 -38.284) 38.352 15.037 ( -14.528 -2.286 -16.743) 22.285 16.406 ( 4.731 -0.076 34.160) 34.486 17.872 ( 32.621 0.272 0.816) 32.632 19.234 ( -1.456 -1.331 0.981) 2.203 19.507 ( 0.214 1.007 -6.849) 6.926 20.034 ( 3.511 0.786 -0.549) 3.640 20.240 ( -2.615 0.520 -6.488) 7.014 21.410 ( -13.230 0.447 11.351) 17.438 22.183 ( 6.542 1.209 4.695) 8.142 22.317 ( 10.783 -4.570 2.278) 11.931 23.044 ( -1.807 -0.003 -2.334) 2.952 23.712 ( 8.780 1.144 2.339) 9.158 23.906 ( 31.839 4.054 -1.372) 32.125 29.463 ( -21.899 1.795 0.162) 21.974 29.844 ( -28.123 -5.082 -8.098) 29.703 30.359 ( -2.859 -1.633 11.235) 11.708 31.546 ( 1.934 0.766 -6.323) 6.657 ======================= Grid point 141 (56/124) ======================= q-point: (-0.50 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -14.791 5.492 16.349) 22.721 2.005 ( -12.469 2.624 4.640) 13.561 2.301 ( 2.989 2.416 -5.732) 6.901 2.461 ( 0.271 -0.579 -3.280) 3.341 2.621 ( 2.594 0.420 7.497) 7.944 2.677 ( 0.246 1.159 4.204) 4.368 2.867 ( 4.497 -0.325 4.346) 6.262 3.077 ( -6.368 -4.484 -3.001) 8.346 3.273 ( 1.978 2.620 2.026) 3.858 3.577 ( 4.248 14.981 1.590) 15.653 3.828 ( -8.101 0.649 -3.267) 8.759 3.906 ( -3.916 1.833 -2.802) 5.152 4.759 ( 4.895 -0.805 0.461) 4.982 4.838 ( 11.096 -6.607 -2.267) 13.112 5.172 ( -11.507 -1.449 0.322) 11.603 6.259 ( 8.501 0.849 -8.754) 12.232 6.484 ( -67.018 -0.162 3.016) 67.086 6.978 ( -48.233 -0.548 -6.397) 48.659 7.280 ( -15.143 1.261 -4.121) 15.744 7.747 ( -15.400 -0.122 13.588) 20.538 9.007 ( 4.419 -1.231 15.296) 15.969 9.485 ( -2.440 0.763 -27.486) 27.605 9.653 ( -13.972 0.421 25.014) 28.654 10.462 ( -12.988 0.543 11.300) 17.224 11.253 ( 1.728 -1.477 -9.865) 10.123 11.527 ( -15.115 -0.508 -5.067) 15.950 11.988 ( -0.754 -0.491 13.322) 13.352 12.569 ( 15.929 0.106 -0.206) 15.931 13.466 ( 6.714 -0.847 0.915) 6.829 13.584 ( -13.338 -3.853 -0.947) 13.916 14.702 ( -22.146 -2.330 -12.641) 25.606 15.019 ( 3.559 -2.743 -35.514) 35.797 16.629 ( 18.355 -0.321 35.626) 40.078 18.434 ( 30.260 0.826 0.006) 30.271 19.228 ( -1.088 -2.448 1.952) 3.315 19.511 ( 1.361 1.601 -6.663) 6.986 20.108 ( 5.562 1.807 -3.168) 6.651 20.153 ( -6.495 -0.130 -4.914) 8.145 21.170 ( -13.071 0.433 14.499) 19.526 22.294 ( 6.316 0.985 3.447) 7.262 22.520 ( 6.422 -5.793 -2.376) 8.969 23.022 ( -0.029 0.282 3.170) 3.183 23.847 ( 7.687 2.101 3.045) 8.531 24.449 ( 34.032 7.825 -6.272) 35.479 29.042 ( -21.932 2.416 0.118) 22.065 29.352 ( -33.157 -9.920 -5.883) 35.106 30.343 ( -1.493 -1.868 10.863) 11.123 31.578 ( 2.070 0.131 -5.542) 5.917 ======================= Grid point 142 (57/124) ======================= q-point: (-0.40 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -13.565 9.557 17.306) 23.976 1.638 ( -19.646 10.143 14.836) 26.626 2.298 ( -0.248 3.502 -6.144) 7.076 2.487 ( 0.139 -2.287 -1.577) 2.781 2.601 ( -4.736 -0.773 6.093) 7.756 2.668 ( 0.340 2.893 5.364) 6.104 2.933 ( 1.264 0.768 3.219) 3.543 3.025 ( -4.413 -8.075 -2.408) 9.512 3.230 ( -2.781 15.958 6.028) 17.283 3.354 ( -4.987 8.639 1.013) 10.026 3.784 ( 1.575 -2.034 -4.970) 5.596 3.861 ( -1.446 0.088 -5.545) 5.731 4.788 ( -3.834 2.489 -1.880) 4.943 4.883 ( -4.722 3.992 -1.529) 6.369 5.229 ( 6.841 -14.215 -16.480) 22.813 5.454 ( -40.009 -2.353 0.210) 40.079 6.288 ( -24.948 0.066 -6.241) 25.717 6.353 ( 2.172 2.183 -15.704) 16.003 7.126 ( -2.973 1.160 -1.837) 3.683 7.530 ( -10.067 0.915 23.212) 25.318 8.985 ( -3.834 -0.620 17.276) 17.708 9.476 ( -5.215 1.211 25.356) 25.915 9.504 ( 0.671 0.068 -14.085) 14.101 10.320 ( -0.522 0.090 -0.291) 0.604 11.102 ( -15.174 -0.807 9.637) 17.994 11.288 ( -11.091 -1.123 -6.511) 12.910 12.194 ( 17.548 -3.454 -5.410) 18.685 12.798 ( 9.379 -1.484 2.858) 9.916 13.312 ( -18.808 -3.685 0.519) 19.172 13.601 ( 7.287 -0.074 -1.149) 7.378 14.314 ( -21.961 -1.909 -9.109) 23.851 15.107 ( 2.437 -4.122 -29.603) 29.988 16.974 ( 16.799 -1.156 33.780) 37.744 18.899 ( 21.463 1.107 2.730) 21.664 19.237 ( -0.688 -3.205 2.675) 4.231 19.518 ( 0.817 1.916 -6.682) 7.000 20.025 ( -7.006 -0.982 -4.391) 8.326 20.189 ( 4.442 2.348 -7.634) 9.140 20.954 ( -10.036 -0.026 17.821) 20.453 22.374 ( 3.560 1.503 2.160) 4.427 22.639 ( 1.380 -5.954 -6.275) 8.760 23.042 ( 2.102 0.017 7.626) 7.910 23.937 ( 4.649 3.140 3.600) 6.665 24.950 ( 28.029 6.482 -11.817) 31.101 28.696 ( -13.826 0.883 0.106) 13.854 28.861 ( -28.968 -6.673 -3.532) 29.936 30.337 ( -1.175 -2.643 12.320) 12.655 31.616 ( 1.613 -0.973 -4.635) 5.004 ======================= Grid point 143 (58/124) ======================= q-point: (-0.30 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 0.000 18.299 12.265) 22.029 1.404 ( 0.000 10.737 29.357) 31.259 2.232 ( 0.000 11.795 -4.247) 12.537 2.513 ( -0.000 -5.659 0.968) 5.741 2.544 ( -0.000 -1.085 1.052) 1.511 2.616 ( 0.000 7.712 7.000) 10.415 2.913 ( 0.000 1.947 5.091) 5.451 2.984 ( 0.000 11.570 0.428) 11.578 3.117 ( -0.000 -5.191 0.437) 5.209 3.310 ( 0.000 1.730 -0.397) 1.775 3.832 ( -0.000 -0.120 -8.298) 8.299 3.842 ( -0.000 -2.980 -4.722) 5.584 4.639 ( 0.000 6.294 3.013) 6.978 4.849 ( 0.000 3.088 -6.738) 7.412 5.038 ( -0.000 -2.350 1.203) 2.640 5.551 ( -0.000 -17.012 -24.328) 29.686 6.050 ( 0.000 2.260 -10.046) 10.297 6.336 ( 0.000 3.475 -20.206) 20.503 7.117 ( -0.000 -0.259 4.209) 4.217 7.403 ( 0.000 2.106 25.844) 25.930 8.954 ( -0.000 -0.243 23.722) 23.723 9.419 ( 0.000 1.965 23.582) 23.664 9.492 ( -0.000 -0.237 -7.990) 7.993 10.367 ( -0.000 -0.531 -13.388) 13.398 10.924 ( -0.000 -0.354 21.846) 21.849 11.195 ( -0.000 -1.578 -7.525) 7.688 12.460 ( -0.000 -6.383 -14.601) 15.935 12.930 ( -0.000 -4.528 5.156) 6.862 13.096 ( -0.000 -1.950 6.232) 6.530 13.687 ( 0.000 1.384 -3.537) 3.799 14.072 ( -0.000 -0.120 -5.860) 5.861 15.170 ( -0.000 -4.949 -26.961) 27.411 17.154 ( -0.000 -1.863 32.971) 33.023 19.102 ( 0.000 1.011 5.592) 5.683 19.260 ( -0.000 -3.885 3.016) 4.918 19.506 ( 0.000 2.080 -6.798) 7.109 19.964 ( -0.000 -1.395 -4.471) 4.684 20.209 ( 0.000 2.470 -10.737) 11.017 20.859 ( -0.000 -0.885 21.048) 21.067 22.391 ( 0.000 1.499 1.567) 2.168 22.695 ( -0.000 -5.299 -6.845) 8.656 23.071 ( -0.000 -0.858 8.682) 8.725 23.948 ( 0.000 3.946 3.439) 5.234 25.215 ( 0.000 2.381 -18.611) 18.763 28.561 ( -0.000 -0.015 0.037) 0.040 28.576 ( 0.000 0.050 -0.130) 0.139 30.355 ( -0.000 -4.151 14.756) 15.329 31.644 ( -0.000 -1.676 -3.880) 4.227 ======================= Grid point 150 (59/124) ======================= q-point: (-0.60 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -14.264 0.000 15.962) 21.406 2.021 ( -9.948 0.000 2.239) 10.197 2.347 ( 5.237 -0.000 -4.083) 6.641 2.440 ( -1.709 0.000 -3.163) 3.596 2.621 ( 1.477 -0.000 9.068) 9.188 2.688 ( 0.079 -0.000 6.015) 6.015 2.876 ( 4.661 -0.000 3.084) 5.589 3.028 ( -7.663 0.000 -2.500) 8.060 3.294 ( 2.686 -0.000 1.847) 3.260 3.702 ( 7.593 -0.000 -3.351) 8.300 3.891 ( -13.253 0.000 2.957) 13.579 3.899 ( -1.220 0.000 -7.468) 7.567 4.727 ( 10.067 -0.000 -4.662) 11.094 4.775 ( 5.581 -0.000 1.989) 5.925 5.166 ( -12.300 0.000 3.496) 12.787 6.266 ( 8.431 -0.000 -8.536) 11.998 6.483 ( -66.835 0.000 3.211) 66.912 6.974 ( -48.681 0.000 -5.506) 48.991 7.291 ( -14.587 0.000 -5.103) 15.454 7.746 ( -15.052 0.000 13.297) 20.085 8.995 ( 4.567 -0.000 15.460) 16.120 9.492 ( -2.639 0.000 -27.942) 28.066 9.657 ( -13.801 0.000 25.057) 28.607 10.467 ( -13.176 0.000 11.123) 17.243 11.240 ( 1.926 -0.000 -9.982) 10.166 11.522 ( -15.228 0.000 -5.227) 16.100 11.984 ( -1.553 0.000 13.852) 13.939 12.570 ( 15.566 -0.000 -0.822) 15.588 13.459 ( 7.185 -0.000 0.886) 7.239 13.548 ( -13.116 0.000 -0.641) 13.132 14.682 ( -22.032 0.000 -11.767) 24.978 14.994 ( 3.470 -0.000 -36.001) 36.168 16.626 ( 18.159 -0.000 35.726) 40.076 18.441 ( 30.345 -0.000 0.032) 30.345 19.206 ( -0.982 0.000 2.034) 2.258 19.526 ( 1.229 -0.000 -7.043) 7.149 20.126 ( 5.883 -0.000 -3.433) 6.812 20.152 ( -7.164 0.000 -5.085) 8.785 21.175 ( -13.252 0.000 13.847) 19.167 22.311 ( 6.820 -0.000 7.620) 10.226 22.460 ( 6.724 -0.000 -6.385) 9.272 23.024 ( 0.024 -0.000 3.494) 3.494 23.866 ( 7.742 -0.000 3.300) 8.416 24.516 ( 32.743 -0.000 -6.752) 33.432 29.073 ( -22.149 0.000 -0.423) 22.153 29.255 ( -32.022 0.000 -3.735) 32.239 30.328 ( -1.184 0.000 9.884) 9.955 31.579 ( 1.538 -0.000 -5.860) 6.058 ======================= Grid point 152 (60/124) ======================= q-point: (-0.50 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -9.245 3.247 20.754) 22.951 1.772 ( -15.901 4.743 7.250) 18.108 2.336 ( -8.322 -0.800 1.812) 8.554 2.412 ( -4.538 -0.577 -1.068) 4.698 2.615 ( 1.841 -0.355 3.199) 3.708 2.694 ( 1.139 0.413 7.223) 7.324 2.906 ( -6.207 -3.248 -1.881) 7.254 2.952 ( 2.229 0.198 1.114) 2.500 3.342 ( 2.735 1.855 3.146) 4.563 3.590 ( -11.576 7.649 2.829) 14.160 3.794 ( 4.665 4.359 -5.562) 8.467 3.863 ( -2.655 -0.235 -6.286) 6.828 4.825 ( 0.535 2.364 -5.010) 5.565 4.935 ( -3.068 1.057 -2.300) 3.978 4.986 ( 3.920 -10.385 -12.025) 16.366 5.424 ( -45.292 -0.974 1.130) 45.316 6.292 ( -23.861 0.213 -4.627) 24.306 6.381 ( 3.259 0.888 -14.790) 15.171 7.141 ( -3.780 0.470 -3.046) 4.877 7.544 ( -9.138 0.467 22.145) 23.961 8.976 ( -3.191 -0.275 17.808) 18.094 9.491 ( -4.691 0.442 25.576) 26.006 9.504 ( 0.006 -0.027 -15.381) 15.381 10.321 ( -1.064 0.009 -0.760) 1.308 11.092 ( -14.485 -0.322 9.797) 17.490 11.274 ( -11.421 -0.432 -6.589) 13.192 12.152 ( 15.862 -1.266 -4.877) 16.643 12.783 ( 8.203 -0.366 0.915) 8.262 13.264 ( -17.534 -1.486 1.521) 17.662 13.601 ( 8.492 0.032 -1.502) 8.623 14.294 ( -20.224 -0.463 -8.431) 21.915 15.056 ( 2.281 -1.564 -30.203) 30.329 16.960 ( 16.302 -0.428 33.967) 37.679 18.913 ( 21.289 0.429 2.642) 21.457 19.199 ( -0.420 -1.118 2.864) 3.104 19.541 ( 0.635 0.722 -7.565) 7.626 20.013 ( -7.365 -0.351 -4.263) 8.517 20.218 ( 4.248 0.922 -8.172) 9.256 20.957 ( -10.157 0.136 15.941) 18.902 22.406 ( 4.262 1.710 6.239) 7.747 22.551 ( 2.035 -3.414 -10.221) 10.967 23.043 ( 1.627 0.012 7.699) 7.869 23.975 ( 4.742 1.145 4.264) 6.479 25.016 ( 22.780 1.621 -10.823) 25.272 28.717 ( -15.227 1.347 -0.246) 15.289 28.776 ( -22.207 -3.066 -1.368) 22.459 30.310 ( -1.009 -0.684 10.207) 10.279 31.604 ( 1.082 -0.337 -5.274) 5.394 ======================= Grid point 153 (61/124) ======================= q-point: (-0.40 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 0.000 16.357 9.990) 19.166 1.543 ( 0.000 4.885 26.749) 27.191 2.252 ( -0.000 -14.941 10.207) 18.095 2.350 ( 0.000 4.878 -5.194) 7.125 2.656 ( 0.000 5.114 -4.848) 7.046 2.688 ( 0.000 1.442 7.947) 8.077 2.891 ( -0.000 -9.164 0.284) 9.168 2.966 ( 0.000 1.570 0.194) 1.582 3.337 ( 0.000 7.071 4.463) 8.361 3.397 ( 0.000 13.978 2.481) 14.197 3.815 ( 0.000 1.224 -5.927) 6.053 3.828 ( -0.000 -0.268 -8.153) 8.157 4.741 ( 0.000 5.039 0.539) 5.068 4.891 ( 0.000 1.899 -8.239) 8.455 4.991 ( -0.000 -2.813 1.888) 3.388 5.238 ( -0.000 -17.010 -19.636) 25.979 6.082 ( 0.000 1.315 -7.052) 7.174 6.388 ( 0.000 2.201 -19.245) 19.370 7.120 ( 0.000 0.304 2.640) 2.658 7.436 ( 0.000 1.431 23.554) 23.597 8.951 ( -0.000 -0.156 23.524) 23.525 9.449 ( 0.000 1.266 24.133) 24.166 9.485 ( -0.000 -0.424 -9.414) 9.423 10.360 ( -0.000 -0.328 -13.740) 13.744 10.919 ( -0.000 -0.207 22.344) 22.345 11.171 ( -0.000 -1.026 -7.487) 7.557 12.371 ( -0.000 -3.556 -14.476) 14.906 12.873 ( -0.000 -2.129 2.202) 3.063 13.067 ( -0.000 -1.195 6.549) 6.658 13.707 ( 0.000 0.846 -3.640) 3.737 14.070 ( -0.000 -0.079 -5.941) 5.942 15.097 ( -0.000 -3.056 -27.790) 27.957 17.127 ( -0.000 -1.121 33.195) 33.214 19.117 ( 0.000 0.621 5.395) 5.431 19.208 ( -0.000 -1.962 3.246) 3.793 19.536 ( 0.000 1.266 -8.196) 8.294 19.944 ( -0.000 -0.864 -4.261) 4.348 20.246 ( 0.000 1.568 -11.132) 11.242 20.856 ( 0.000 0.150 17.569) 17.570 22.426 ( 0.000 2.291 3.446) 4.138 22.603 ( -0.000 -4.780 -9.109) 10.287 23.062 ( -0.000 -0.261 8.930) 8.934 24.004 ( 0.000 2.264 4.456) 4.998 25.233 ( 0.000 0.161 -13.794) 13.795 28.561 ( -0.000 -0.008 0.040) 0.041 28.577 ( 0.000 0.030 -0.136) 0.139 30.309 ( -0.000 -1.434 11.117) 11.209 31.620 ( -0.000 -0.944 -4.802) 4.894 ======================= Grid point 163 (62/124) ======================= q-point: ( 0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 0.000 0.000 25.452) 25.452 1.631 ( -0.000 -0.000 7.308) 7.308 2.079 ( 0.000 0.000 13.150) 13.150 2.407 ( -0.000 -0.000 -4.174) 4.174 2.702 ( 0.000 0.000 -4.655) 4.655 2.712 ( 0.000 0.000 9.276) 9.276 2.772 ( 0.000 0.000 0.111) 0.111 2.986 ( 0.000 0.000 -0.022) 0.022 3.379 ( 0.000 0.000 4.075) 4.075 3.534 ( 0.000 0.000 0.865) 0.865 3.825 ( 0.000 0.000 -8.138) 8.138 3.866 ( 0.000 0.000 -5.262) 5.262 4.794 ( 0.000 0.000 -1.333) 1.333 4.916 ( 0.000 0.000 -8.168) 8.168 4.959 ( 0.000 0.000 3.096) 3.096 5.052 ( 0.000 0.000 -18.466) 18.466 6.094 ( 0.000 0.000 -5.893) 5.893 6.408 ( 0.000 0.000 -18.890) 18.890 7.123 ( 0.000 0.000 2.375) 2.375 7.449 ( 0.000 0.000 22.690) 22.690 8.949 ( 0.000 0.000 23.447) 23.447 9.461 ( 0.000 0.000 26.304) 26.304 9.481 ( 0.000 0.000 -12.106) 12.106 10.357 ( 0.000 0.000 -13.875) 13.875 10.917 ( 0.000 0.000 22.520) 22.520 11.162 ( 0.000 0.000 -7.475) 7.475 12.340 ( 0.000 0.000 -14.414) 14.414 12.854 ( 0.000 0.000 1.437) 1.437 13.056 ( -0.000 -0.000 6.670) 6.670 13.715 ( 0.000 0.000 -3.630) 3.630 14.069 ( 0.000 0.000 -5.976) 5.976 15.069 ( 0.000 0.000 -28.129) 28.129 17.116 ( 0.000 0.000 33.288) 33.288 19.123 ( 0.000 0.000 5.321) 5.321 19.191 ( 0.000 0.000 3.310) 3.310 19.547 ( 0.000 0.000 -8.738) 8.738 19.936 ( 0.000 0.000 -4.180) 4.180 20.260 ( 0.000 0.000 -11.304) 11.304 20.858 ( 0.000 0.000 16.648) 16.648 22.455 ( -0.000 -0.000 8.225) 8.225 22.551 ( 0.000 0.000 -13.883) 13.883 23.060 ( 0.000 0.000 8.949) 8.949 24.024 ( 0.000 0.000 4.822) 4.822 25.233 ( 0.000 0.000 -12.417) 12.417 28.561 ( 0.000 0.000 0.041) 0.041 28.577 ( 0.000 0.000 -0.138) 0.138 30.297 ( 0.000 0.000 10.130) 10.130 31.612 ( 0.000 0.000 -5.142) 5.142 ======================= Grid point 210 (63/124) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 0.000 0.000 23.064) 23.064 0.928 ( 0.000 0.000 26.605) 26.605 1.982 ( 0.000 0.000 -13.911) 13.911 2.223 ( 0.000 0.000 11.870) 11.870 2.265 ( 0.000 0.000 27.717) 27.717 2.743 ( 0.000 0.000 -4.914) 4.914 2.797 ( 0.000 0.000 -4.490) 4.490 3.124 ( 0.000 0.000 6.529) 6.529 3.289 ( 0.000 0.000 -0.330) 0.330 3.390 ( 0.000 0.000 -4.988) 4.988 3.617 ( 0.000 0.000 -10.349) 10.349 3.937 ( 0.000 0.000 -4.322) 4.322 4.461 ( 0.000 0.000 2.281) 2.281 4.579 ( 0.000 0.000 9.861) 9.861 5.128 ( 0.000 0.000 1.448) 1.448 5.320 ( 0.000 0.000 -29.516) 29.516 5.663 ( 0.000 0.000 -13.216) 13.216 5.725 ( 0.000 0.000 -24.958) 24.958 7.670 ( 0.000 0.000 16.486) 16.486 8.007 ( 0.000 0.000 38.139) 38.139 8.927 ( 0.000 0.000 -24.998) 24.998 9.459 ( 0.000 0.000 22.537) 22.537 9.972 ( 0.000 0.000 37.125) 37.125 10.086 ( 0.000 0.000 -15.511) 15.511 11.035 ( 0.000 0.000 -15.349) 15.349 11.423 ( 0.000 0.000 27.827) 27.827 12.282 ( 0.000 0.000 -29.517) 29.517 13.178 ( 0.000 0.000 -21.456) 21.456 13.312 ( 0.000 0.000 9.176) 9.176 13.927 ( 0.000 0.000 -9.761) 9.761 14.054 ( 0.000 0.000 9.813) 9.813 14.873 ( 0.000 0.000 -20.741) 20.741 17.890 ( 0.000 0.000 35.938) 35.938 19.224 ( 0.000 0.000 10.582) 10.582 19.344 ( 0.000 0.000 -8.816) 8.816 19.475 ( 0.000 0.000 2.085) 2.085 19.872 ( 0.000 0.000 -14.378) 14.378 19.882 ( 0.000 0.000 -9.220) 9.220 21.916 ( 0.000 0.000 5.007) 5.007 22.397 ( 0.000 0.000 -10.697) 10.697 22.979 ( 0.000 0.000 6.109) 6.109 23.402 ( 0.000 0.000 -8.410) 8.410 23.547 ( 0.000 0.000 12.103) 12.103 23.948 ( 0.000 0.000 0.713) 0.713 28.563 ( 0.000 0.000 0.070) 0.070 28.571 ( 0.000 0.000 -0.179) 0.179 31.382 ( 0.000 0.000 2.917) 2.917 31.631 ( 0.000 0.000 -4.418) 4.418 ======================= Grid point 211 (64/124) ======================= q-point: ( 0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 11.990 -10.522 22.936) 27.938 1.344 ( 35.887 -3.650 12.315) 38.116 2.079 ( 7.078 -1.705 -9.168) 11.708 2.250 ( 1.429 -4.760 1.497) 5.190 2.342 ( 10.010 0.065 33.422) 34.888 2.775 ( 1.722 -3.010 -4.960) 6.052 2.799 ( 0.522 -0.464 -2.494) 2.590 3.144 ( 1.366 2.751 5.498) 6.298 3.242 ( -3.151 2.317 0.545) 3.949 3.359 ( -2.573 1.484 -4.567) 5.448 3.724 ( 7.817 0.378 -10.367) 12.989 3.935 ( 0.524 1.448 -3.072) 3.436 4.481 ( 0.391 -5.036 2.179) 5.501 4.647 ( 7.444 -1.679 6.076) 9.755 5.250 ( -2.996 1.672 -16.934) 17.279 5.493 ( 37.835 -0.019 -3.457) 37.993 5.757 ( 4.404 -2.222 -19.677) 20.286 6.005 ( 33.196 -0.640 -19.356) 38.432 7.466 ( -10.876 2.637 22.275) 24.928 8.159 ( 10.093 1.461 32.027) 33.611 8.896 ( -2.771 -1.904 -25.823) 26.041 9.559 ( 4.829 -0.195 27.938) 28.353 9.996 ( 3.847 -0.232 32.975) 33.200 10.062 ( 1.499 -0.123 -21.705) 21.757 11.172 ( 13.945 0.394 -11.606) 18.147 11.506 ( 6.271 -0.405 26.715) 27.444 12.133 ( -10.473 1.481 -21.392) 23.864 12.990 ( -16.738 1.194 -12.170) 20.729 13.487 ( 16.444 0.741 3.140) 16.757 13.788 ( -7.165 1.498 8.280) 11.052 14.347 ( 23.217 6.529 -20.143) 31.423 14.807 ( -7.030 0.591 -22.156) 23.252 17.686 ( -20.090 0.380 33.945) 39.446 18.871 ( -29.138 -0.440 -1.563) 29.183 19.375 ( -0.997 0.391 -0.988) 1.457 19.473 ( 0.198 0.971 1.711) 1.978 19.939 ( 4.346 -0.256 -8.302) 9.374 19.954 ( 6.617 0.245 -8.368) 10.671 21.876 ( 1.736 11.793 10.375) 15.803 22.373 ( -1.521 2.226 -8.325) 8.750 22.946 ( -0.393 6.584 7.436) 9.940 23.178 ( -15.199 1.312 6.131) 16.442 23.572 ( -12.664 -20.892 5.613) 25.067 23.795 ( -13.532 -5.879 3.084) 15.073 28.695 ( 14.188 0.016 1.340) 14.251 28.996 ( 37.469 1.762 -14.874) 40.352 31.282 ( -3.892 10.880 5.230) 12.684 31.596 ( -4.110 -0.055 -4.962) 6.443 ======================= Grid point 212 (65/124) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 14.964 -13.445 17.945) 26.957 1.833 ( 16.764 -2.495 13.632) 21.750 2.190 ( 4.583 -0.404 -3.793) 5.963 2.342 ( 1.996 -5.992 -6.389) 8.984 2.595 ( 14.883 4.684 16.174) 22.473 2.792 ( 0.087 1.800 -0.506) 1.871 2.917 ( 8.639 -8.044 5.473) 13.011 3.092 ( -2.841 1.276 4.585) 5.543 3.163 ( -5.197 -0.081 3.728) 6.397 3.301 ( -0.857 1.252 -2.830) 3.212 3.770 ( -1.684 1.563 -4.888) 5.401 3.925 ( -0.082 1.945 -1.448) 2.426 4.554 ( 0.732 -7.588 2.363) 7.981 4.851 ( 10.459 -2.744 -1.051) 10.864 5.232 ( 4.001 2.696 -5.725) 7.486 5.771 ( 0.908 -4.264 -20.804) 21.256 6.520 ( 65.148 -0.445 0.824) 65.155 6.683 ( 32.745 -1.601 -14.589) 35.883 7.471 ( 21.919 3.226 13.778) 26.090 8.288 ( 7.259 1.986 28.936) 29.899 8.882 ( -1.818 -0.867 -30.501) 30.567 9.479 ( -9.244 0.866 25.764) 27.386 10.147 ( 13.290 0.532 25.138) 28.440 10.257 ( 16.187 -1.132 -19.718) 25.537 11.455 ( 9.896 0.906 0.756) 9.966 11.477 ( -3.494 0.193 11.643) 12.157 12.124 ( 11.826 0.162 -1.568) 11.931 12.637 ( -21.379 1.476 -4.038) 21.807 13.641 ( -6.720 2.128 6.874) 9.846 13.784 ( 15.395 1.783 -1.353) 15.557 14.550 ( -5.771 5.694 -25.082) 26.359 14.705 ( 8.323 3.314 -29.540) 30.869 17.284 ( -21.875 0.166 30.860) 37.827 18.338 ( -29.652 -0.541 -5.184) 30.107 19.330 ( -3.124 -0.292 -1.321) 3.404 19.461 ( -0.052 2.372 0.236) 2.384 19.987 ( 1.097 -0.035 -2.721) 2.934 20.056 ( 4.234 0.278 -7.405) 8.534 21.797 ( 2.511 12.985 17.197) 21.695 22.314 ( -2.767 1.902 -5.592) 6.523 22.863 ( -6.280 -2.293 5.904) 8.919 22.951 ( -11.825 -1.920 6.794) 13.772 23.463 ( -15.816 -17.933 8.342) 25.325 23.670 ( -6.651 -3.817 -0.634) 7.695 29.028 ( 21.964 0.081 3.662) 22.268 29.594 ( 29.944 3.929 -18.912) 35.634 31.119 ( -1.529 13.025 5.721) 14.308 31.492 ( -6.792 0.621 -5.777) 8.939 ======================= Grid point 213 (66/124) ======================= q-point: ( 0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 13.036 -12.644 13.196) 22.449 2.089 ( 10.860 -2.853 12.025) 16.453 2.267 ( 3.889 -0.027 -1.655) 4.227 2.402 ( 0.554 -3.323 -5.152) 6.156 2.687 ( 4.194 9.023 1.301) 10.035 2.731 ( -2.972 4.685 3.264) 6.437 2.988 ( -6.336 -2.593 4.435) 8.157 3.059 ( -5.571 0.341 2.777) 6.235 3.232 ( 11.804 -4.446 6.143) 14.029 3.372 ( 7.558 -3.098 5.861) 10.053 3.697 ( -3.391 0.451 -1.904) 3.915 3.902 ( -1.549 -0.938 -0.329) 1.840 4.626 ( 0.269 -7.007 4.990) 8.606 4.977 ( 2.033 0.201 7.392) 7.670 5.350 ( 9.314 0.365 -2.122) 9.560 5.795 ( -2.242 -3.738 -14.119) 14.776 7.031 ( 12.036 -2.240 -12.736) 17.666 7.690 ( 58.966 -1.176 -3.691) 59.093 8.153 ( 34.204 0.831 12.644) 36.476 8.519 ( 30.289 3.748 12.561) 33.004 8.729 ( -12.247 0.439 -17.283) 21.187 9.458 ( 11.136 0.261 8.621) 14.086 10.419 ( 16.484 1.401 18.113) 24.531 10.511 ( 9.523 0.017 -19.044) 21.292 11.248 ( -10.501 0.169 19.029) 21.735 11.762 ( 16.306 0.217 -0.223) 16.309 12.194 ( -27.404 0.846 -0.321) 27.419 12.392 ( 13.901 -0.554 8.614) 16.364 13.507 ( -5.872 1.461 4.926) 7.803 13.921 ( -2.974 4.354 -0.201) 5.277 14.334 ( -4.448 0.865 -30.668) 31.001 14.833 ( 5.845 4.320 -30.176) 31.039 16.981 ( -10.860 -0.013 26.562) 28.696 17.841 ( -26.279 0.274 -3.420) 26.502 19.287 ( -2.131 -1.270 -3.265) 4.101 19.428 ( -0.712 3.520 -2.133) 4.177 19.994 ( 0.319 0.286 -0.290) 0.517 20.092 ( 0.020 -0.088 -6.055) 6.055 21.757 ( 3.301 7.389 15.595) 17.569 22.233 ( -4.055 3.862 -5.713) 8.000 22.758 ( -11.202 -2.777 7.187) 13.596 22.769 ( -9.345 -7.514 2.591) 12.267 23.388 ( -5.799 -8.782 7.441) 12.888 23.588 ( -6.345 -3.425 -0.383) 7.220 29.433 ( 22.533 -0.094 4.901) 23.060 29.976 ( 16.592 3.119 -12.255) 20.862 31.017 ( 2.707 12.205 2.424) 12.735 31.355 ( -8.135 -0.214 -6.354) 10.325 ======================= Grid point 214 (67/124) ======================= q-point: ( 0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 8.460 -11.277 6.931) 15.710 2.273 ( 7.637 -0.441 4.639) 8.946 2.319 ( 2.549 1.858 0.076) 3.155 2.438 ( 0.026 -2.781 -3.342) 4.348 2.612 ( -0.954 6.493 6.860) 9.494 2.679 ( -0.653 4.218 2.776) 5.091 2.887 ( -6.615 -4.712 5.443) 9.777 2.959 ( -3.835 3.453 2.731) 5.839 3.411 ( 6.732 1.456 1.218) 6.995 3.484 ( 0.664 -1.039 2.528) 2.812 3.721 ( 5.972 -1.897 3.606) 7.229 3.894 ( -2.547 -4.478 1.588) 5.391 4.700 ( 2.368 -5.425 11.054) 12.539 4.940 ( -4.259 2.453 17.466) 18.145 5.511 ( 8.104 -0.854 -1.379) 8.265 5.754 ( -4.897 -1.325 -8.069) 9.531 7.312 ( 18.526 -2.139 -21.834) 28.714 8.180 ( -19.983 -0.083 -34.965) 40.272 8.460 ( 11.571 -0.204 19.482) 22.660 8.549 ( 16.514 1.391 19.505) 25.595 9.477 ( 54.190 2.006 -0.614) 54.231 9.869 ( 32.136 -1.218 1.362) 32.188 10.589 ( 1.393 0.314 -14.974) 15.042 10.652 ( 10.054 2.070 10.666) 14.803 11.098 ( -7.898 0.001 15.262) 17.185 11.636 ( -34.487 -0.019 0.757) 34.495 12.047 ( 16.286 -0.083 5.371) 17.149 12.526 ( -1.381 -0.256 12.104) 12.185 13.423 ( -2.163 0.441 4.634) 5.133 13.640 ( -16.298 2.996 -1.673) 16.656 14.444 ( 12.036 0.413 -29.150) 31.540 14.819 ( -4.143 2.002 -29.978) 30.329 16.912 ( 2.978 -0.113 19.783) 20.006 17.405 ( -21.775 0.738 2.878) 21.977 19.282 ( -0.093 -2.166 -5.136) 5.575 19.376 ( -1.438 3.769 -4.475) 6.025 20.004 ( 1.249 0.418 0.022) 1.317 20.071 ( -2.207 -0.429 -3.729) 4.355 21.793 ( 5.409 1.939 9.331) 10.958 22.089 ( -7.481 4.826 -3.457) 9.550 22.631 ( -3.612 0.121 6.689) 7.603 22.678 ( -8.907 -8.852 2.195) 12.747 23.393 ( 0.387 -2.543 5.165) 5.770 23.506 ( -5.448 -2.250 1.010) 5.980 29.802 ( 17.862 -0.543 4.382) 18.400 30.130 ( 2.808 1.498 -3.896) 5.031 31.006 ( 7.159 10.175 -2.525) 12.695 31.213 ( -9.157 -2.740 -6.479) 11.547 ======================= Grid point 215 (68/124) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 0.722 -6.652 1.644) 6.890 2.297 ( -0.722 6.652 1.644) 6.890 2.395 ( -3.345 -4.188 -1.197) 5.492 2.395 ( 3.345 4.188 -1.197) 5.492 2.614 ( -0.982 -0.528 7.943) 8.021 2.614 ( 0.982 0.528 7.943) 8.021 2.877 ( 0.073 -5.793 3.948) 7.011 2.877 ( -0.073 5.793 3.948) 7.011 3.470 ( -2.806 -2.245 -0.244) 3.602 3.470 ( 2.806 2.245 -0.244) 3.602 3.850 ( -6.324 -1.947 4.123) 7.796 3.850 ( 6.324 1.947 4.123) 7.796 4.814 ( 5.285 -4.011 17.562) 18.773 4.814 ( -5.285 4.011 17.562) 18.773 5.651 ( -6.671 0.494 -3.462) 7.532 5.651 ( 6.671 -0.494 -3.462) 7.532 7.724 ( -25.086 1.720 -26.060) 36.213 7.724 ( 25.086 -1.720 -26.060) 36.213 8.632 ( -5.081 0.683 14.461) 15.342 8.632 ( 5.081 -0.683 14.461) 15.342 10.167 ( -17.394 -2.466 -2.790) 17.788 10.167 ( 17.394 2.466 -2.790) 17.788 10.691 ( -8.079 0.734 6.156) 10.183 10.691 ( 8.079 -0.734 6.156) 10.183 11.077 ( -18.057 -0.659 0.220) 18.071 11.077 ( 18.057 0.659 0.220) 18.071 12.347 ( -16.063 0.231 10.363) 19.117 12.347 ( 16.063 -0.231 10.363) 19.117 13.438 ( -4.448 0.877 3.234) 5.569 13.438 ( 4.448 -0.877 3.234) 5.569 14.664 ( -11.412 0.284 -30.076) 32.170 14.664 ( 11.412 -0.284 -30.076) 32.170 17.073 ( -14.195 0.484 11.390) 18.206 17.073 ( 14.195 -0.484 11.390) 18.206 19.318 ( 1.268 -3.137 -5.670) 6.603 19.318 ( -1.268 3.137 -5.670) 6.603 20.032 ( -2.123 -1.051 -1.325) 2.714 20.032 ( 2.123 1.051 -1.325) 2.714 21.914 ( -4.775 -1.374 2.374) 5.506 21.914 ( 4.775 1.374 2.374) 5.506 22.619 ( -4.430 -6.160 4.090) 8.620 22.619 ( 4.430 6.160 4.090) 8.620 23.438 ( -3.484 -0.587 2.886) 4.562 23.438 ( 3.484 0.587 2.886) 4.562 30.056 ( -9.262 0.809 1.868) 9.483 30.056 ( 9.262 -0.809 1.868) 9.483 31.085 ( -9.470 -6.776 -5.697) 12.963 31.085 ( 9.470 6.776 -5.697) 12.963 ======================= Grid point 222 (69/124) ======================= q-point: ( 0.10 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 17.712 -0.000 20.606) 27.172 1.811 ( 17.058 -0.000 14.677) 22.503 2.211 ( 6.978 -0.000 -4.088) 8.088 2.260 ( 2.603 -0.000 -4.823) 5.480 2.646 ( 20.543 -0.000 23.171) 30.966 2.816 ( 2.729 -0.000 3.611) 4.527 2.825 ( 5.041 -0.000 -5.095) 7.167 3.112 ( -6.182 0.000 6.664) 9.090 3.164 ( -5.704 0.000 0.222) 5.708 3.314 ( -2.164 0.000 -4.414) 4.916 3.788 ( -1.470 0.000 -4.730) 4.953 3.941 ( -1.070 0.000 -2.065) 2.326 4.475 ( 1.286 -0.000 4.992) 5.155 4.824 ( 11.422 -0.000 -1.047) 11.470 5.258 ( 3.274 -0.000 -5.855) 6.708 5.730 ( 1.041 -0.000 -20.979) 21.004 6.516 ( 65.176 -0.000 0.518) 65.178 6.669 ( 31.839 -0.000 -15.573) 35.443 7.501 ( 21.752 -0.000 14.131) 25.939 8.308 ( 7.089 -0.000 27.664) 28.558 8.873 ( -1.125 0.000 -30.158) 30.179 9.486 ( -9.141 0.000 26.605) 28.131 10.153 ( 13.755 -0.000 26.874) 30.190 10.244 ( 16.414 -0.000 -19.958) 25.841 11.465 ( 17.359 -0.000 -5.666) 18.260 11.477 ( -10.966 0.000 17.735) 20.851 12.126 ( 11.058 -0.000 -1.996) 11.236 12.650 ( -21.844 0.000 -4.319) 22.267 13.660 ( -7.768 0.000 7.197) 10.590 13.799 ( 16.326 -0.000 -2.418) 16.504 14.609 ( -14.992 0.000 -24.314) 28.565 14.733 ( 15.187 -0.000 -32.493) 35.867 17.285 ( -22.057 0.000 30.771) 37.860 18.334 ( -29.153 0.000 -5.357) 29.641 19.328 ( -3.576 0.000 -0.517) 3.613 19.482 ( 0.114 -0.000 0.139) 0.179 19.989 ( 1.528 -0.000 -3.196) 3.542 20.059 ( 4.036 -0.000 -7.929) 8.897 21.960 ( 1.483 -0.000 11.302) 11.398 22.326 ( -4.852 0.000 -7.040) 8.550 22.783 ( -18.754 0.000 18.739) 26.512 22.952 ( -6.236 0.000 5.462) 8.290 23.296 ( -6.294 0.000 9.793) 11.641 23.634 ( -5.895 0.000 -1.640) 6.119 29.029 ( 21.965 -0.000 3.877) 22.305 29.629 ( 29.141 -0.000 -19.805) 35.234 31.251 ( -3.684 0.000 0.808) 3.772 31.494 ( -7.014 0.000 -4.998) 8.612 ======================= Grid point 223 (70/124) ======================= q-point: ( 0.20 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 16.226 -4.974 15.710) 23.126 2.045 ( 10.715 -1.614 17.944) 20.962 2.289 ( 4.458 2.450 -2.975) 5.893 2.344 ( 2.860 -3.369 -4.140) 6.055 2.770 ( 0.133 1.814 -0.017) 1.819 2.874 ( 3.176 8.447 0.211) 9.027 2.949 ( -7.087 -0.646 7.614) 10.421 3.027 ( -3.703 -5.014 2.095) 6.576 3.166 ( 14.832 -1.780 9.377) 17.637 3.337 ( 5.871 -0.983 -0.133) 5.954 3.712 ( -5.031 0.831 -0.655) 5.141 3.894 ( -4.038 -0.176 -1.133) 4.197 4.518 ( 1.446 -4.011 7.131) 8.309 4.973 ( 3.915 -0.282 6.206) 7.343 5.362 ( 8.095 0.603 -3.040) 8.668 5.743 ( -0.561 -1.768 -14.733) 14.849 7.002 ( 12.427 -0.858 -13.033) 18.028 7.675 ( 58.530 -0.463 -5.211) 58.763 8.163 ( 30.818 0.265 14.383) 34.010 8.578 ( 35.675 2.300 9.741) 37.053 8.726 ( -15.031 -0.447 -16.114) 22.041 9.461 ( 10.108 0.062 9.457) 13.842 10.440 ( 17.026 0.766 20.003) 26.279 10.509 ( 10.477 -0.207 -18.440) 21.210 11.251 ( -11.205 0.077 18.931) 21.998 11.764 ( 16.063 0.048 -0.328) 16.066 12.205 ( -28.181 0.348 -0.015) 28.183 12.385 ( 13.989 -0.175 8.306) 16.270 13.524 ( -6.796 0.492 4.931) 8.411 13.975 ( -2.439 1.599 -0.589) 2.976 14.345 ( -6.781 0.360 -30.765) 31.506 14.890 ( 3.697 1.859 -32.807) 33.067 16.981 ( -10.841 0.026 26.472) 28.606 17.847 ( -25.547 0.295 -3.684) 25.813 19.271 ( -2.575 -0.485 -2.140) 3.383 19.472 ( -0.711 1.294 -2.544) 2.942 20.005 ( 0.852 0.574 -1.801) 2.074 20.090 ( -0.332 -0.123 -6.731) 6.740 21.926 ( 0.740 10.050 15.028) 18.094 22.248 ( -4.857 -3.797 -5.040) 7.963 22.582 ( -8.995 -6.061 9.962) 14.727 22.744 ( -14.508 -1.729 6.542) 16.009 23.294 ( 2.317 -2.229 6.569) 7.314 23.545 ( -5.022 -1.266 -1.003) 5.275 29.433 ( 22.345 0.002 5.422) 22.994 30.011 ( 14.629 0.900 -11.987) 18.934 31.189 ( 0.200 5.964 -3.206) 6.774 31.350 ( -9.264 -0.393 -5.028) 10.548 ======================= Grid point 224 (71/124) ======================= q-point: ( 0.30 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 11.065 -6.597 9.866) 16.227 2.241 ( 8.305 -2.451 11.873) 14.695 2.342 ( 3.144 0.747 -0.987) 3.378 2.404 ( 2.584 -1.029 -1.870) 3.351 2.716 ( -3.514 4.254 5.027) 7.464 2.787 ( -2.441 7.480 -0.120) 7.869 2.818 ( -7.274 -3.027 7.165) 10.649 2.999 ( -0.914 0.805 -1.911) 2.267 3.428 ( 10.386 0.288 3.227) 10.880 3.487 ( 4.967 1.447 1.827) 5.487 3.675 ( 3.758 -3.157 3.812) 6.214 3.822 ( -4.773 -3.164 0.155) 5.728 4.599 ( 3.384 -5.185 12.288) 13.760 4.970 ( -3.319 1.011 16.821) 17.175 5.506 ( 8.008 0.152 -2.408) 8.364 5.730 ( -2.658 -1.194 -8.941) 9.404 7.281 ( 18.863 -1.328 -21.768) 28.834 8.177 ( -16.071 -0.193 -36.611) 39.984 8.455 ( 11.240 -0.255 18.565) 21.704 8.572 ( 13.285 1.123 22.320) 25.999 9.508 ( 53.469 1.385 -1.539) 53.509 9.850 ( 30.673 -0.835 0.675) 30.692 10.595 ( 1.187 0.275 -13.946) 13.999 10.686 ( 10.113 1.533 11.797) 15.614 11.099 ( -7.097 0.124 15.873) 17.388 11.636 ( -35.243 -0.039 1.245) 35.265 12.045 ( 16.027 -0.105 5.943) 17.094 12.524 ( -0.805 -0.082 11.618) 11.646 13.427 ( -3.421 0.023 4.522) 5.670 13.680 ( -18.908 1.517 -2.666) 19.156 14.450 ( 11.929 0.259 -28.611) 30.999 14.850 ( -6.129 1.363 -31.601) 32.219 16.912 ( 2.898 0.044 19.749) 19.960 17.419 ( -21.667 0.761 2.873) 21.870 19.251 ( -0.630 -1.314 -3.890) 4.154 19.432 ( -1.891 2.367 -5.596) 6.363 20.017 ( 1.363 1.008 -2.000) 2.622 20.066 ( -2.033 -0.337 -3.872) 4.387 21.871 ( 2.661 7.179 11.044) 13.438 22.168 ( -7.158 1.545 -2.962) 7.899 22.484 ( -8.459 -7.919 7.948) 14.052 22.611 ( -2.092 -4.372 3.231) 5.825 23.368 ( 4.265 -0.508 4.222) 6.022 23.476 ( -3.783 -1.121 1.145) 4.108 29.795 ( 17.497 -0.289 5.002) 18.200 30.147 ( 1.735 0.595 -3.771) 4.193 31.152 ( -3.325 3.378 -5.449) 7.222 31.188 ( -4.245 2.193 -5.908) 7.599 ======================= Grid point 225 (72/124) ======================= q-point: ( 0.40 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 4.385 -6.818 3.632) 8.883 2.309 ( -2.320 -2.580 -0.103) 3.471 2.403 ( 4.077 2.908 2.325) 5.522 2.483 ( 5.383 2.062 0.617) 5.797 2.617 ( -3.215 2.208 5.811) 6.998 2.644 ( -6.306 2.107 8.059) 10.447 2.799 ( 1.144 -2.106 5.112) 5.646 2.977 ( 1.596 5.209 -0.679) 5.490 3.453 ( -3.102 0.333 0.789) 3.218 3.525 ( 2.279 3.886 -1.689) 4.811 3.792 ( -3.383 -4.270 2.871) 6.158 3.851 ( 8.895 -1.906 4.839) 10.304 4.733 ( 6.623 -4.603 18.692) 20.358 4.869 ( -5.392 2.123 17.969) 18.880 5.642 ( 6.423 -0.119 -3.233) 7.192 5.665 ( -4.026 0.677 -3.914) 5.656 7.696 ( 25.688 -1.429 -25.480) 36.209 7.752 ( -24.414 1.357 -26.625) 36.149 8.620 ( 4.834 -0.655 12.993) 13.879 8.643 ( -5.310 0.496 16.065) 16.928 10.129 ( -15.916 -1.766 -3.017) 16.295 10.210 ( 18.860 2.189 -2.724) 19.181 10.677 ( 4.517 -0.610 6.684) 8.090 10.707 ( -10.638 0.823 5.423) 11.968 11.065 ( -14.028 -0.383 0.810) 14.056 11.092 ( 14.943 0.761 0.051) 14.962 12.343 ( 15.344 -0.169 11.139) 18.961 12.351 ( -15.102 0.191 9.642) 17.918 13.418 ( 2.566 -1.252 3.659) 4.641 13.447 ( -6.177 0.180 2.651) 6.725 14.660 ( 9.720 -0.140 -29.204) 30.780 14.670 ( -11.889 0.276 -30.937) 33.144 17.067 ( 13.000 -0.155 11.453) 17.326 17.084 ( -13.522 0.654 11.461) 17.738 19.268 ( 0.579 -2.406 -4.189) 4.866 19.371 ( -2.101 2.635 -7.248) 7.993 20.019 ( -1.295 -0.269 -1.059) 1.694 20.054 ( 1.807 1.076 -2.794) 3.497 21.893 ( 1.878 1.357 4.014) 4.635 21.996 ( -5.130 5.133 3.291) 7.969 22.471 ( -2.467 -9.960 8.070) 13.054 22.679 ( 6.816 0.921 -1.588) 7.059 23.435 ( -0.426 0.322 3.700) 3.738 23.454 ( 5.255 1.084 2.446) 5.897 30.038 ( 7.879 -0.920 2.170) 8.224 30.072 ( -8.577 0.665 1.198) 8.686 30.978 ( -12.659 -5.030 -2.211) 13.800 31.201 ( 5.727 5.930 -8.935) 12.158 ======================= Grid point 226 (73/124) ======================= q-point: (-0.50 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( -3.300 -3.757 -0.102) 5.002 2.259 ( -4.521 -1.635 -0.297) 4.817 2.363 ( -2.923 10.235 3.199) 11.114 2.502 ( 3.588 4.065 0.557) 5.451 2.537 ( -4.843 -1.566 7.414) 8.993 2.627 ( 1.144 -2.020 4.650) 5.197 2.887 ( 4.865 -3.925 5.955) 8.633 2.981 ( 4.752 5.416 1.772) 7.419 3.389 ( -4.431 -0.769 1.639) 4.786 3.511 ( -0.619 1.715 1.217) 2.192 3.740 ( -3.987 0.351 1.407) 4.243 3.959 ( 3.086 2.403 2.380) 4.579 4.771 ( -2.650 2.487 11.654) 12.208 4.888 ( 5.631 -3.031 19.259) 20.293 5.536 ( -7.567 1.909 -0.397) 7.814 5.774 ( 6.936 0.895 -6.921) 9.839 7.351 ( -18.101 2.126 -21.900) 28.492 8.179 ( 24.480 -0.275 -31.794) 40.128 8.462 ( -12.647 0.090 20.178) 23.814 8.528 ( -19.052 -0.990 15.405) 24.521 9.443 ( -55.003 -1.652 0.259) 55.029 9.889 ( -34.188 1.033 2.465) 34.292 10.586 ( -1.787 -0.033 -16.509) 16.606 10.618 ( -9.862 -1.729 9.402) 13.735 11.100 ( 8.506 0.232 14.867) 17.130 11.637 ( 33.628 0.017 0.459) 33.631 12.048 ( -16.646 -0.015 4.492) 17.242 12.533 ( 2.183 0.405 12.747) 12.939 13.411 ( 0.825 -0.876 4.616) 4.770 13.579 ( 13.283 -3.661 -0.642) 13.794 14.436 ( -12.376 -0.495 -29.814) 32.284 14.786 ( 2.072 -1.678 -28.127) 28.253 16.916 ( -3.124 0.327 19.995) 20.240 17.396 ( 22.155 -0.235 2.933) 22.350 19.306 ( 0.408 -2.852 -3.713) 4.699 19.326 ( -0.154 1.547 -6.071) 6.267 20.000 ( -0.634 0.002 0.759) 0.988 20.084 ( 2.002 0.948 -4.436) 4.958 21.788 ( -7.343 0.944 8.461) 11.243 22.041 ( 7.129 -0.191 -0.708) 7.166 22.555 ( 3.220 -7.241 8.550) 11.658 22.805 ( 9.255 4.588 -4.199) 11.151 23.456 ( 5.778 4.275 5.787) 9.227 23.551 ( 7.152 2.642 1.266) 7.729 29.814 ( -18.023 0.807 3.293) 18.339 30.094 ( -5.140 -2.477 -4.313) 7.152 30.834 ( -9.350 -8.701 2.946) 13.108 31.267 ( 6.126 3.212 -8.984) 11.339 ======================= Grid point 227 (74/124) ======================= q-point: (-0.40 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( -9.382 12.332 9.747) 18.306 2.131 ( -9.085 2.340 4.311) 10.325 2.282 ( -1.190 1.655 -1.018) 2.278 2.458 ( -2.296 1.570 -1.115) 2.997 2.553 ( -0.236 -3.199 2.512) 4.074 2.670 ( 2.294 -2.370 3.076) 4.510 2.998 ( 4.312 -1.993 3.136) 5.692 3.062 ( 6.563 1.194 3.255) 7.423 3.289 ( -6.710 2.002 2.299) 7.370 3.442 ( -5.242 4.326 10.123) 12.193 3.700 ( 1.317 0.656 -4.367) 4.608 3.935 ( -2.045 2.873 0.875) 3.633 4.728 ( 0.372 3.914 3.870) 5.517 4.957 ( -0.465 -1.940 9.389) 9.598 5.361 ( -10.314 1.729 0.089) 10.459 5.860 ( 4.463 3.356 -12.963) 14.114 7.076 ( -11.376 2.762 -12.342) 17.011 7.713 ( -59.648 1.340 -1.122) 59.673 8.136 ( -39.218 -1.089 10.104) 40.514 8.462 ( -28.254 -2.516 16.355) 32.743 8.710 ( 14.504 -1.560 -19.483) 24.339 9.451 ( -12.716 -0.495 7.637) 14.841 10.395 ( -15.634 -1.267 16.630) 22.860 10.507 ( -8.611 -0.398 -21.019) 22.718 11.246 ( 9.338 -0.121 19.196) 21.347 11.756 ( -16.684 -0.503 0.218) 16.693 12.178 ( 26.287 -0.849 -1.276) 26.332 12.405 ( -13.814 0.875 9.202) 16.622 13.475 ( 4.598 -2.007 4.769) 6.922 13.830 ( 3.336 -5.710 0.292) 6.619 14.316 ( 1.831 -1.167 -30.598) 30.675 14.753 ( -8.463 -4.309 -26.762) 28.397 16.982 ( 10.835 0.181 26.885) 28.986 17.842 ( 27.439 0.357 -3.183) 27.626 19.311 ( 1.240 1.115 -4.780) 5.062 19.359 ( 0.850 -3.697 -1.349) 4.026 19.997 ( 0.406 0.516 0.431) 0.786 20.095 ( -0.518 0.312 -5.753) 5.784 21.675 ( -6.081 -2.341 14.761) 16.135 22.172 ( 5.730 -2.249 -3.773) 7.220 22.699 ( 5.624 -5.957 7.400) 11.040 22.909 ( 7.231 5.055 -2.720) 9.233 23.582 ( 16.412 11.879 5.138) 20.901 23.659 ( 8.279 4.470 0.628) 9.429 29.438 ( -22.780 0.472 3.866) 23.110 29.898 ( -20.234 -5.680 -11.793) 24.099 30.807 ( -3.707 -10.661 8.955) 14.408 31.360 ( 6.036 0.406 -8.348) 10.310 ======================= Grid point 228 (75/124) ======================= q-point: (-0.30 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -10.601 18.221 13.825) 25.210 1.892 ( -15.211 3.999 11.143) 19.276 2.236 ( -1.274 4.338 -4.066) 6.080 2.416 ( -2.552 0.098 -1.951) 3.214 2.524 ( -5.292 -0.646 4.658) 7.080 2.749 ( 2.863 -2.738 0.852) 4.052 3.046 ( -1.785 2.952 4.876) 5.973 3.115 ( -3.999 5.780 4.253) 8.215 3.165 ( 2.264 -0.597 3.101) 3.886 3.298 ( -3.610 2.840 6.290) 7.789 3.748 ( 1.858 -0.911 -6.260) 6.593 3.880 ( -3.202 -2.696 -0.684) 4.241 4.687 ( -0.437 6.464 -0.528) 6.501 4.903 ( -6.905 2.332 -1.890) 7.529 5.176 ( -7.647 -3.007 -3.784) 9.046 5.860 ( -0.744 5.256 -20.474) 21.151 6.531 ( -65.123 0.782 1.804) 65.152 6.721 ( -34.949 2.611 -12.164) 37.097 7.402 ( -21.444 -4.119 12.761) 25.291 8.250 ( -7.299 -2.016 30.870) 31.785 8.898 ( 3.111 0.840 -31.237) 31.402 9.456 ( 9.328 -1.638 24.293) 26.074 10.139 ( -12.264 -0.395 23.452) 26.468 10.275 ( -15.714 0.766 -21.336) 26.510 11.437 ( -4.864 -1.136 5.228) 7.231 11.467 ( -1.893 -0.959 7.931) 8.210 12.123 ( -13.591 0.076 -0.426) 13.598 12.602 ( 20.034 -2.321 -3.615) 20.490 13.592 ( 5.030 -3.114 6.127) 8.517 13.736 ( -13.786 -3.665 0.635) 14.279 14.450 ( -3.030 -4.882 -24.206) 24.879 14.622 ( -3.114 -5.850 -26.809) 27.616 17.280 ( 21.380 -0.189 31.214) 37.834 18.354 ( 30.582 1.225 -4.952) 31.005 19.336 ( 1.989 0.238 -2.921) 3.542 19.405 ( 0.615 -3.493 0.580) 3.594 19.996 ( -0.306 0.945 -2.402) 2.599 20.050 ( -4.709 -0.406 -6.611) 8.127 21.611 ( -5.903 -7.618 19.800) 22.021 22.273 ( 3.343 -2.174 -4.988) 6.386 22.813 ( 0.654 -5.496 4.640) 7.223 23.010 ( 9.024 2.925 2.596) 9.835 23.756 ( 7.692 5.649 1.274) 9.628 23.825 ( 25.913 20.341 0.482) 32.946 29.027 ( -22.000 0.062 3.039) 22.209 29.494 ( -31.221 -7.210 -15.641) 35.656 30.874 ( -0.608 -13.077 12.765) 18.284 31.471 ( 5.603 -1.599 -7.418) 9.433 ======================= Grid point 229 (76/124) ======================= q-point: (-0.20 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -18.614 15.103 14.765) 28.153 1.487 ( -19.092 14.155 15.795) 28.537 2.150 ( -3.237 6.371 -7.580) 10.417 2.335 ( -7.201 -0.943 17.248) 18.714 2.388 ( -2.969 9.607 3.199) 10.552 2.788 ( 0.460 0.345 -3.432) 3.480 2.903 ( -1.536 9.316 4.620) 10.512 3.065 ( -3.654 -5.056 5.211) 8.128 3.192 ( -0.514 -2.849 1.912) 3.469 3.312 ( 2.076 -3.502 -2.322) 4.686 3.715 ( -6.280 -0.557 -9.586) 11.473 3.883 ( -0.564 -4.291 -2.368) 4.934 4.605 ( -1.187 7.299 -2.991) 7.977 4.700 ( -8.430 4.095 4.929) 10.589 5.191 ( 2.791 -5.007 -17.804) 18.704 5.491 ( -38.727 -0.496 -3.641) 38.901 5.826 ( -4.761 5.279 -19.264) 20.534 6.029 ( -31.401 2.078 -16.090) 35.345 7.392 ( 7.799 -4.852 21.597) 23.469 8.124 ( -9.420 -1.994 33.986) 35.324 8.942 ( 5.419 2.670 -25.835) 26.532 9.561 ( -3.846 -0.059 26.340) 26.619 10.003 ( -3.013 0.629 31.783) 31.932 10.064 ( -3.226 0.051 -22.691) 22.919 11.160 ( -14.136 -0.998 -11.203) 18.064 11.516 ( -5.182 0.573 27.845) 28.329 12.086 ( 8.089 -3.540 -21.231) 22.994 12.948 ( 15.807 -3.630 -9.390) 18.741 13.462 ( -15.456 -2.040 3.956) 16.084 13.736 ( 5.116 -4.175 9.894) 11.895 14.202 ( -22.078 -7.440 -16.783) 28.714 14.766 ( 6.191 -4.228 -23.897) 25.045 17.674 ( 19.481 -0.951 34.109) 39.291 18.885 ( 28.726 1.104 -1.670) 28.796 19.365 ( 0.354 -0.722 -1.952) 2.111 19.439 ( 0.126 -2.645 2.073) 3.363 19.944 ( -6.573 -0.557 -7.930) 10.315 19.952 ( -4.024 1.012 -8.459) 9.421 21.611 ( -4.330 -14.273 21.067) 25.813 22.331 ( 1.210 -2.125 -6.342) 6.797 22.846 ( -0.917 -4.823 6.374) 8.045 23.157 ( 7.307 -1.004 3.527) 8.175 23.815 ( 5.053 7.397 1.473) 9.078 24.122 ( 27.732 24.812 -7.327) 37.926 28.695 ( -14.101 -0.001 1.173) 14.150 28.940 ( -34.237 -4.198 -11.209) 36.269 31.011 ( 1.149 -16.612 14.325) 21.966 31.576 ( 3.798 -2.257 -6.316) 7.708 ======================= Grid point 230 (77/124) ======================= q-point: (-0.10 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 0.000 10.259 21.991) 24.266 1.158 ( 0.000 22.309 20.443) 30.259 2.042 ( 0.000 6.537 -13.477) 14.979 2.255 ( 0.000 0.746 42.729) 42.735 2.296 ( 0.000 6.563 -9.766) 11.767 2.786 ( 0.000 0.405 -5.706) 5.720 2.828 ( 0.000 7.392 0.386) 7.402 3.069 ( -0.000 -6.045 7.518) 9.647 3.231 ( -0.000 -5.162 0.082) 5.163 3.364 ( -0.000 -2.837 -3.916) 4.835 3.623 ( 0.000 0.553 -10.828) 10.842 3.912 ( -0.000 -2.878 -3.379) 4.439 4.537 ( 0.000 6.965 -1.756) 7.183 4.599 ( 0.000 2.157 9.187) 9.437 5.120 ( -0.000 -0.965 1.099) 1.462 5.295 ( -0.000 -3.004 -29.797) 29.948 5.686 ( 0.000 2.696 -13.915) 14.174 5.761 ( 0.000 3.849 -22.774) 23.097 7.582 ( -0.000 -8.169 19.136) 20.807 8.005 ( -0.000 -0.223 37.768) 37.769 8.986 ( 0.000 5.325 -26.866) 27.389 9.457 ( -0.000 -0.247 22.513) 22.514 9.981 ( 0.000 0.923 36.804) 36.816 10.080 ( -0.000 -0.689 -15.712) 15.727 11.028 ( -0.000 -0.820 -15.322) 15.344 11.434 ( 0.000 1.090 28.437) 28.458 12.244 ( -0.000 -4.090 -29.104) 29.390 13.157 ( -0.000 -2.783 -19.314) 19.514 13.303 ( -0.000 -0.907 9.351) 9.395 13.918 ( -0.000 -12.201 14.033) 18.596 13.925 ( -0.000 -0.128 -9.811) 9.812 14.854 ( -0.000 -2.649 -22.004) 22.162 17.880 ( -0.000 -1.105 35.916) 35.933 19.228 ( 0.000 0.401 10.439) 10.447 19.336 ( -0.000 -0.795 -9.043) 9.078 19.458 ( -0.000 -1.986 2.485) 3.181 19.876 ( -0.000 -0.630 -9.081) 9.103 19.882 ( 0.000 1.074 -14.678) 14.718 21.718 ( -0.000 -17.848 15.944) 23.932 22.361 ( -0.000 -2.596 -7.676) 8.103 22.886 ( -0.000 -6.345 7.913) 10.143 23.256 ( -0.000 -4.829 2.691) 5.528 23.790 ( 0.000 9.701 0.815) 9.735 24.209 ( 0.000 25.438 -13.579) 28.836 28.563 ( -0.000 -0.008 0.074) 0.075 28.571 ( 0.000 0.027 -0.184) 0.186 31.184 ( -0.000 -17.957 11.356) 21.247 31.629 ( -0.000 -1.317 -5.436) 5.593 ======================= Grid point 233 (78/124) ======================= q-point: ( 0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 12.298 -0.000 11.016) 16.510 2.214 ( 8.642 -0.000 15.561) 17.800 2.349 ( 1.786 -0.000 -3.201) 3.666 2.397 ( 4.055 -0.000 -0.153) 4.058 2.763 ( -1.458 0.000 4.215) 4.461 2.781 ( -9.455 0.000 8.064) 12.427 2.873 ( -6.340 0.000 -0.615) 6.370 2.996 ( 2.990 -0.000 -4.955) 5.788 3.429 ( 11.265 -0.000 5.214) 12.413 3.511 ( 13.127 -0.000 1.943) 13.270 3.635 ( -2.579 0.000 1.977) 3.250 3.794 ( -6.348 0.000 -0.256) 6.353 4.548 ( 4.234 -0.000 13.360) 14.015 4.978 ( -2.935 0.000 16.680) 16.936 5.509 ( 7.840 -0.000 -2.827) 8.334 5.718 ( -1.661 0.000 -9.238) 9.386 7.269 ( 18.990 -0.000 -21.742) 28.868 8.175 ( -14.593 0.000 -37.056) 39.826 8.453 ( 11.229 -0.000 18.218) 21.401 8.583 ( 11.855 -0.000 23.217) 26.068 9.521 ( 53.189 -0.000 -1.957) 53.225 9.842 ( 30.160 -0.000 0.483) 30.164 10.597 ( 1.126 -0.000 -13.606) 13.652 10.700 ( 10.112 -0.000 12.241) 15.877 11.101 ( -6.688 0.000 16.184) 17.511 11.635 ( -35.572 0.000 1.485) 35.603 12.044 ( 15.949 -0.000 6.141) 17.091 12.523 ( -0.604 0.000 11.441) 11.457 13.427 ( -3.931 0.000 4.450) 5.938 13.693 ( -19.949 0.000 -3.093) 20.187 14.453 ( 11.919 -0.000 -28.405) 30.804 14.863 ( -6.963 0.000 -32.253) 32.996 16.913 ( 2.879 -0.000 19.772) 19.980 17.427 ( -21.700 0.000 2.877) 21.890 19.239 ( -0.815 0.000 -3.433) 3.528 19.453 ( -2.044 0.000 -5.970) 6.310 20.030 ( 1.702 -0.000 -3.170) 3.598 20.060 ( -2.350 0.000 -4.164) 4.781 22.000 ( 1.871 -0.000 14.275) 14.397 22.102 ( -6.528 0.000 0.306) 6.535 22.460 ( -13.786 0.000 7.626) 15.755 22.537 ( 3.796 -0.000 -0.731) 3.866 23.365 ( 5.349 -0.000 3.908) 6.624 23.467 ( -3.117 0.000 1.283) 3.370 29.792 ( 17.319 -0.000 5.188) 18.079 30.152 ( 1.456 -0.000 -3.783) 4.054 31.155 ( -12.381 0.000 -3.408) 12.842 31.237 ( 2.369 -0.000 -8.858) 9.169 ======================= Grid point 234 (79/124) ======================= q-point: ( 0.30 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 6.223 -2.205 5.618) 8.669 2.273 ( -2.574 -1.237 0.879) 2.988 2.437 ( 6.975 0.920 6.268) 9.422 2.473 ( 5.375 -1.193 3.250) 6.394 2.630 ( -7.231 -0.128 7.346) 10.308 2.703 ( -4.536 2.441 4.273) 6.693 2.802 ( 0.046 1.156 1.678) 2.038 3.046 ( 3.363 2.159 -4.679) 6.153 3.473 ( -3.296 1.256 1.065) 3.684 3.605 ( -0.386 4.948 -2.782) 5.690 3.712 ( 0.493 -4.618 1.431) 4.860 3.798 ( 10.202 -2.930 5.785) 12.089 4.671 ( 8.271 -2.010 20.478) 22.176 4.891 ( -5.622 0.576 18.769) 19.601 5.644 ( 7.477 0.185 -3.270) 8.163 5.672 ( -3.634 0.136 -4.237) 5.583 7.678 ( 26.023 -0.555 -25.108) 36.165 7.769 ( -23.962 0.511 -26.975) 36.085 8.611 ( 4.778 -0.272 12.140) 13.049 8.649 ( -5.565 0.175 17.140) 18.022 10.108 ( -15.106 -0.613 -3.218) 15.457 10.238 ( 19.987 0.866 -2.780) 20.198 10.670 ( 3.616 -0.172 6.907) 7.798 10.717 ( -13.729 0.291 4.873) 14.571 11.063 ( -15.541 -0.014 1.397) 15.604 11.101 ( 17.132 0.269 0.140) 17.135 12.341 ( 16.300 -0.045 11.679) 20.052 12.353 ( -15.917 0.061 9.189) 18.380 13.400 ( 1.355 -0.606 3.858) 4.134 13.447 ( -7.170 -0.058 2.199) 7.500 14.659 ( 9.705 -0.008 -28.575) 30.178 14.673 ( -13.215 0.090 -31.549) 34.205 17.066 ( 13.778 0.026 11.494) 17.943 17.093 ( -14.666 0.281 11.635) 18.722 19.238 ( 0.191 -0.883 -3.340) 3.460 19.404 ( -2.611 1.011 -8.246) 8.709 20.020 ( -1.542 0.222 -1.108) 1.911 20.066 ( 2.210 0.274 -4.727) 5.225 21.954 ( -3.576 4.457 5.382) 7.850 22.059 ( -0.372 0.966 7.305) 7.378 22.312 ( -3.596 -6.151 9.279) 11.699 22.673 ( 9.608 -0.790 -6.631) 11.700 23.443 ( 1.147 0.334 4.172) 4.340 23.469 ( 6.502 0.494 2.437) 6.961 30.027 ( 7.945 -0.359 2.223) 8.258 30.079 ( -9.099 0.194 0.545) 9.117 30.917 ( -14.534 -1.799 0.125) 14.646 31.277 ( 3.304 2.364 -10.866) 11.600 ======================= Grid point 235 (80/124) ======================= q-point: (-0.60 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 0.591 -2.537 0.316) 2.624 2.219 ( -4.031 -2.349 -1.519) 4.907 2.499 ( 0.803 1.519 5.991) 6.233 2.516 ( -4.696 2.969 7.004) 8.940 2.591 ( 0.523 -1.455 6.260) 6.449 2.609 ( 2.886 4.830 0.082) 5.627 2.841 ( 4.382 -0.944 6.863) 8.197 3.069 ( 2.331 4.091 -3.752) 6.020 3.389 ( -4.364 0.702 2.433) 5.045 3.536 ( -2.343 0.967 -0.582) 2.601 3.741 ( -0.375 0.061 -0.463) 0.599 3.967 ( 5.274 -1.364 1.588) 5.674 4.792 ( -3.498 0.470 14.225) 14.656 4.846 ( 7.010 -1.745 21.248) 22.443 5.569 ( -6.710 1.564 0.075) 6.890 5.785 ( 8.024 0.391 -6.073) 10.071 7.382 ( -17.754 1.307 -21.934) 28.249 8.172 ( 27.354 -0.378 -28.300) 39.361 8.464 ( -13.313 0.160 20.277) 24.258 8.514 ( -20.236 -0.566 11.708) 23.386 9.421 ( -55.564 -0.815 0.799) 55.576 9.903 ( -36.031 0.525 3.460) 36.201 10.587 ( -2.249 0.178 -17.835) 17.977 10.594 ( -9.609 -0.962 8.430) 12.819 11.105 ( 8.780 0.248 14.827) 17.233 11.637 ( 32.834 0.019 0.480) 32.838 12.047 ( -16.844 -0.031 3.573) 17.219 12.539 ( 2.895 0.327 13.303) 13.618 13.396 ( -0.037 -0.734 4.469) 4.529 13.522 ( 10.984 -2.602 0.086) 11.288 14.428 ( -12.850 -0.384 -30.336) 32.947 14.763 ( 0.697 -0.851 -26.753) 26.776 16.923 ( -3.283 0.308 20.280) 20.547 17.395 ( 22.560 0.051 3.040) 22.764 19.257 ( 0.394 -2.032 -2.042) 2.907 19.357 ( -1.147 1.391 -8.011) 8.212 20.004 ( -0.058 0.334 0.438) 0.554 20.098 ( 1.584 0.572 -5.799) 6.038 21.812 ( -8.232 1.510 9.182) 12.424 22.084 ( 6.058 4.717 2.620) 8.112 22.401 ( 3.690 -9.558 9.247) 13.801 22.848 ( 9.003 0.898 -8.338) 12.304 23.525 ( 10.600 3.146 5.130) 12.189 23.591 ( 8.192 1.679 1.791) 8.552 29.830 ( -17.735 0.894 2.036) 17.874 30.049 ( -8.236 -2.391 -4.617) 9.740 30.716 ( -9.587 -4.540 7.243) 12.845 31.317 ( 3.533 2.166 -10.882) 11.645 ======================= Grid point 236 (81/124) ======================= q-point: (-0.50 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( -5.237 -0.102 0.171) 5.241 2.201 ( -1.261 0.151 -0.775) 1.488 2.356 ( -7.339 4.693 10.997) 14.029 2.450 ( -3.211 1.933 2.510) 4.511 2.607 ( 3.377 5.377 0.486) 6.368 2.655 ( 3.028 0.927 3.140) 4.460 2.950 ( 4.811 -2.645 6.827) 8.760 3.079 ( 1.822 0.498 -1.482) 2.401 3.312 ( -3.629 0.913 2.751) 4.645 3.505 ( -0.382 2.683 4.384) 5.154 3.716 ( -0.628 1.168 -5.448) 5.607 3.990 ( -2.358 2.605 0.847) 3.614 4.753 ( -0.541 -0.679 5.117) 5.190 4.925 ( -0.346 -1.321 12.499) 12.573 5.403 ( -10.103 2.612 2.190) 10.662 5.907 ( 6.195 1.942 -11.591) 13.285 7.121 ( -10.667 2.232 -12.021) 16.226 7.734 ( -60.279 0.943 1.477) 60.304 8.119 ( -42.961 -0.707 8.334) 43.767 8.432 ( -29.276 -0.969 18.797) 34.805 8.680 ( 19.068 -1.669 -21.748) 28.972 9.442 ( -14.126 -0.540 6.971) 15.762 10.377 ( -14.831 -0.835 15.222) 21.269 10.499 ( -8.365 -0.422 -22.510) 24.017 11.245 ( 8.128 -0.020 19.468) 21.097 11.745 ( -16.944 -0.669 0.934) 16.983 12.167 ( 25.198 -0.403 -2.728) 25.348 12.420 ( -13.726 0.859 9.810) 16.893 13.441 ( 3.671 -1.680 4.436) 5.998 13.733 ( 3.442 -4.938 0.761) 6.067 14.294 ( -0.104 -1.223 -30.747) 30.771 14.691 ( -10.244 -2.675 -24.028) 26.257 16.987 ( 10.761 0.280 27.349) 29.391 17.851 ( 28.453 0.638 -3.010) 28.619 19.285 ( 0.246 -2.877 -0.619) 2.953 19.346 ( 1.142 1.085 -6.117) 6.317 20.009 ( 0.987 0.750 -0.193) 1.255 20.101 ( -1.128 0.327 -6.124) 6.235 21.659 ( -8.098 0.100 14.324) 16.455 22.169 ( 6.243 2.048 -1.587) 6.760 22.566 ( 4.914 -8.691 7.793) 12.665 22.962 ( 5.425 1.505 -4.420) 7.157 23.722 ( 9.911 3.674 2.691) 10.907 23.775 ( 21.516 8.301 0.360) 23.064 29.452 ( -22.879 1.121 2.433) 23.035 29.788 ( -23.816 -6.389 -9.578) 26.453 30.661 ( -2.791 -5.841 12.558) 14.128 31.369 ( 3.811 0.564 -10.211) 10.914 ======================= Grid point 237 (82/124) ======================= q-point: (-0.40 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -11.915 4.261 8.071) 15.009 2.048 ( -7.276 14.640 10.983) 19.695 2.285 ( -0.258 -2.067 1.711) 2.696 2.382 ( -3.361 1.397 0.559) 3.683 2.591 ( 1.464 5.857 -3.523) 6.990 2.717 ( 3.739 -0.229 2.865) 4.715 3.039 ( 2.122 -2.203 5.437) 6.238 3.109 ( -0.820 -3.983 -0.606) 4.112 3.237 ( -1.684 5.548 1.886) 6.097 3.426 ( -3.806 9.701 9.798) 14.303 3.726 ( 1.143 -1.876 -8.204) 8.493 3.858 ( -8.602 1.049 0.269) 8.669 4.760 ( -0.248 1.502 -1.592) 2.202 4.897 ( -2.838 -2.989 -2.850) 5.011 5.159 ( -14.065 1.393 0.771) 14.155 5.941 ( -1.135 3.697 -19.781) 20.155 6.546 ( -64.869 0.871 3.300) 64.958 6.770 ( -37.313 2.707 -9.471) 38.592 7.340 ( -19.542 -2.795 11.059) 22.627 8.221 ( -7.018 -1.215 31.727) 32.517 8.910 ( 4.236 0.547 -32.037) 32.320 9.425 ( 9.213 -1.819 23.418) 25.231 10.133 ( -11.283 -0.246 22.178) 24.884 10.282 ( -15.315 0.048 -23.189) 27.790 11.417 ( 0.371 -1.103 9.993) 10.061 11.446 ( -8.129 -1.345 3.993) 9.156 12.127 ( -15.325 0.437 0.938) 15.360 12.562 ( 18.277 -2.058 -3.749) 18.771 13.541 ( 4.333 -2.570 5.057) 7.138 13.663 ( -12.410 -4.344 2.243) 13.339 14.389 ( -5.111 -2.182 -23.173) 23.830 14.515 ( -2.974 -5.895 -25.477) 26.319 17.278 ( 20.737 -0.072 31.780) 37.947 18.378 ( 31.195 1.410 -4.835) 31.599 19.315 ( 0.264 -2.823 0.131) 2.838 19.371 ( 1.914 0.032 -3.518) 4.005 20.014 ( -0.076 1.007 -3.382) 3.529 20.045 ( -5.012 -0.088 -6.055) 7.861 21.523 ( -8.409 -2.877 19.090) 21.058 22.253 ( 3.842 0.058 -5.175) 6.446 22.700 ( 1.852 -7.089 6.415) 9.739 23.046 ( 5.936 1.271 0.631) 6.103 23.852 ( 8.856 5.033 3.519) 10.777 24.127 ( 27.628 13.582 -5.808) 31.329 29.032 ( -22.175 0.583 2.062) 22.278 29.356 ( -30.910 -7.888 -10.506) 33.586 30.690 ( -0.877 -7.707 15.309) 17.162 31.443 ( 3.950 -1.436 -9.277) 10.185 ======================= Grid point 238 (83/124) ======================= q-point: (-0.30 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -23.421 11.015 12.958) 28.945 1.798 ( -4.419 17.711 16.925) 24.893 2.288 ( -1.410 7.964 -5.336) 9.689 2.297 ( -2.680 -2.556 7.682) 8.528 2.556 ( 0.721 8.758 -3.397) 9.422 2.786 ( 2.958 -1.774 0.924) 3.571 3.010 ( -6.803 0.127 2.676) 7.311 3.089 ( -6.347 5.036 8.970) 12.087 3.149 ( -0.515 2.952 1.834) 3.513 3.273 ( -0.958 0.946 3.193) 3.465 3.706 ( -5.766 -0.412 -9.392) 11.028 3.793 ( -0.605 -5.786 -3.163) 6.622 4.701 ( -2.375 3.339 -5.024) 6.483 4.778 ( -9.653 4.466 2.267) 10.875 5.073 ( 1.815 -8.284 -17.392) 19.350 5.472 ( -40.434 -1.562 -4.234) 40.685 5.927 ( -5.437 5.825 -17.547) 19.271 6.078 ( -28.061 3.389 -11.627) 30.563 7.319 ( 5.530 -3.133 20.302) 21.273 8.097 ( -8.352 -1.089 34.615) 35.625 8.979 ( 6.962 1.436 -25.136) 26.122 9.554 ( -2.323 -0.765 25.013) 25.132 10.016 ( -1.939 0.744 30.457) 30.528 10.062 ( -5.147 -0.340 -24.015) 24.563 11.140 ( -14.499 -1.228 -10.687) 18.054 11.521 ( -3.330 -0.176 29.092) 29.283 12.020 ( 4.010 -3.635 -20.507) 21.210 12.871 ( 13.306 -4.668 -6.274) 15.433 13.419 ( -14.050 -2.631 5.367) 15.268 13.662 ( 3.400 -3.642 7.767) 9.228 14.116 ( -18.474 -2.725 -15.077) 24.001 14.670 ( 5.706 -6.233 -25.284) 26.659 17.656 ( 18.515 -1.069 34.502) 39.171 18.907 ( 27.983 1.262 -1.907) 28.076 19.341 ( -0.057 -2.202 -0.132) 2.207 19.400 ( 0.345 -1.234 -0.447) 1.358 19.929 ( -7.069 -0.905 -7.183) 10.119 19.978 ( -3.362 1.668 -9.517) 10.230 21.425 ( -6.653 -7.047 22.931) 24.895 22.302 ( 1.210 -1.192 -7.862) 8.043 22.762 ( -0.139 -4.777 7.052) 8.519 23.145 ( 4.934 -0.399 2.508) 5.549 23.936 ( 5.697 6.417 4.656) 9.763 24.481 ( 24.633 15.494 -14.606) 32.561 28.696 ( -14.080 0.139 0.860) 14.107 28.861 ( -28.661 -4.431 -6.598) 29.743 30.764 ( 0.013 -10.939 17.698) 20.805 31.527 ( 2.911 -2.988 -8.156) 9.161 ======================= Grid point 239 (84/124) ======================= q-point: (-0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 0.000 15.185 20.123) 25.209 1.576 ( 0.000 22.680 16.360) 27.965 2.193 ( 0.000 9.967 -12.445) 15.944 2.262 ( 0.000 0.026 21.048) 21.048 2.462 ( 0.000 11.208 -3.007) 11.604 2.816 ( 0.000 4.228 -4.350) 6.066 2.926 ( -0.000 -9.895 10.127) 14.159 2.989 ( 0.000 9.621 8.624) 12.921 3.150 ( -0.000 -3.437 -1.623) 3.801 3.303 ( -0.000 -3.400 -1.013) 3.547 3.630 ( 0.000 0.079 -11.965) 11.965 3.839 ( -0.000 -5.131 -3.109) 5.999 4.648 ( 0.000 4.692 -6.052) 7.658 4.649 ( 0.000 3.347 7.300) 8.031 5.095 ( -0.000 -1.847 0.329) 1.876 5.205 ( -0.000 -7.357 -29.390) 30.297 5.757 ( 0.000 5.164 -13.040) 14.025 5.847 ( 0.000 5.619 -19.706) 20.492 7.444 ( -0.000 -6.484 21.614) 22.566 8.001 ( -0.000 -0.274 36.742) 36.743 9.069 ( 0.000 3.585 -28.103) 28.330 9.451 ( -0.000 -0.411 22.457) 22.461 10.002 ( 0.000 1.428 36.065) 36.093 10.063 ( -0.000 -1.126 -16.254) 16.293 11.008 ( -0.000 -1.398 -15.246) 15.310 11.454 ( 0.000 1.005 30.048) 30.065 12.151 ( -0.000 -6.066 -28.177) 28.823 13.072 ( -0.000 -6.571 -12.138) 13.802 13.282 ( -0.000 -1.461 9.796) 9.904 13.739 ( -0.000 -6.744 11.784) 13.578 13.922 ( -0.000 -0.236 -9.952) 9.955 14.776 ( -0.000 -5.878 -23.706) 24.424 17.854 ( -0.000 -1.688 35.990) 36.029 19.237 ( 0.000 0.648 10.069) 10.090 19.321 ( -0.000 -0.817 -9.538) 9.573 19.411 ( -0.000 -2.999 3.083) 4.302 19.861 ( -0.000 -1.017 -8.715) 8.774 19.909 ( 0.000 1.870 -15.401) 15.514 21.443 ( -0.000 -11.760 24.089) 26.806 22.324 ( -0.000 -1.722 -8.147) 8.327 22.797 ( -0.000 -4.251 7.556) 8.670 23.204 ( -0.000 -1.837 2.528) 3.125 23.929 ( 0.000 7.183 4.432) 8.440 24.603 ( 0.000 17.307 -22.461) 28.356 28.562 ( -0.000 -0.010 0.084) 0.084 28.572 ( 0.000 0.041 -0.196) 0.201 30.880 ( -0.000 -14.818 18.278) 23.530 31.584 ( -0.000 -3.346 -7.078) 7.830 ======================= Grid point 244 (85/124) ======================= q-point: ( 0.30 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 2.197 -0.000 1.312) 2.559 2.193 ( -4.606 0.000 -1.736) 4.922 2.500 ( -5.077 0.000 8.634) 10.016 2.558 ( 1.934 -0.000 7.617) 7.859 2.564 ( 4.406 -0.000 4.150) 6.053 2.660 ( 0.444 -0.000 1.072) 1.161 2.839 ( 3.608 -0.000 5.690) 6.737 3.107 ( 1.245 -0.000 -6.190) 6.314 3.400 ( -4.833 0.000 2.779) 5.575 3.544 ( -3.416 0.000 -1.305) 3.657 3.744 ( 1.456 -0.000 -1.383) 2.008 3.944 ( 6.580 -0.000 1.219) 6.692 4.799 ( -4.640 0.000 14.892) 15.598 4.827 ( 8.440 -0.000 22.879) 24.386 5.584 ( -6.320 0.000 0.177) 6.323 5.788 ( 8.327 -0.000 -5.793) 10.144 7.394 ( -17.621 0.000 -21.941) 28.141 8.168 ( 28.191 -0.000 -26.789) 38.890 8.466 ( -13.097 0.000 20.565) 24.381 8.509 ( -20.836 0.000 9.893) 23.066 9.414 ( -55.750 0.000 0.975) 55.758 9.908 ( -36.775 0.000 3.846) 36.975 10.585 ( -9.527 0.000 8.296) 12.633 10.589 ( -2.422 0.000 -18.573) 18.730 11.107 ( 8.842 -0.000 14.880) 17.309 11.637 ( 32.469 -0.000 0.551) 32.474 12.047 ( -16.858 0.000 3.159) 17.152 12.542 ( 3.181 -0.000 13.524) 13.893 13.389 ( -0.309 0.000 4.381) 4.392 13.497 ( 10.131 -0.000 0.349) 10.137 14.424 ( -13.080 0.000 -30.527) 33.211 14.756 ( 0.239 -0.000 -26.260) 26.261 16.926 ( -3.356 0.000 20.411) 20.685 17.396 ( 22.725 -0.000 3.101) 22.935 19.239 ( 0.283 -0.000 -1.628) 1.652 19.370 ( -1.410 0.000 -8.568) 8.683 20.008 ( 0.108 -0.000 0.236) 0.260 20.103 ( 1.417 -0.000 -6.591) 6.742 21.828 ( -8.859 0.000 10.000) 13.360 22.166 ( 6.497 -0.000 2.751) 7.056 22.274 ( 3.290 -0.000 10.600) 11.099 22.854 ( 9.162 -0.000 -9.798) 13.414 23.555 ( 12.282 -0.000 4.558) 13.100 23.606 ( 8.457 -0.000 2.103) 8.714 29.839 ( -17.421 0.000 1.415) 17.478 30.025 ( -9.824 0.000 -4.608) 10.851 30.676 ( -9.347 0.000 8.804) 12.841 31.337 ( 2.528 -0.000 -11.578) 11.851 ======================= Grid point 245 (86/124) ======================= q-point: (-0.60 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( -3.168 -0.137 -1.381) 3.459 2.181 ( 1.430 -1.054 -1.095) 2.087 2.382 ( -7.652 0.157 10.672) 13.133 2.506 ( -3.996 1.830 4.069) 5.989 2.669 ( 6.787 1.735 5.631) 8.988 2.702 ( 2.743 2.482 1.402) 3.956 2.924 ( 5.044 -0.266 7.770) 9.268 3.079 ( -3.323 -0.256 -3.909) 5.137 3.325 ( -2.644 0.478 3.134) 4.128 3.534 ( 1.986 0.717 -2.279) 3.107 3.740 ( -0.896 1.212 -5.367) 5.574 4.010 ( -0.078 -0.057 -0.868) 0.874 4.734 ( -2.733 -0.775 8.292) 8.765 4.911 ( -0.129 -0.375 14.570) 14.575 5.439 ( -9.704 1.171 3.173) 10.277 5.929 ( 7.085 0.588 -10.687) 12.835 7.149 ( -10.197 0.852 -11.838) 15.647 7.745 ( -60.638 0.319 3.005) 60.714 8.111 ( -44.458 -0.200 7.805) 45.139 8.424 ( -31.697 -0.159 19.883) 37.417 8.658 ( 23.050 -0.723 -23.431) 32.877 9.435 ( -14.883 -0.244 6.679) 16.315 10.367 ( -14.367 -0.287 14.380) 20.329 10.494 ( -8.506 -0.165 -23.236) 24.745 11.245 ( 7.354 0.010 19.737) 21.062 11.735 ( -16.972 -0.334 1.440) 17.036 12.164 ( 24.472 -0.053 -3.824) 24.769 12.432 ( -13.662 0.363 10.172) 17.037 13.420 ( 3.290 -0.642 4.147) 5.333 13.670 ( 3.464 -1.979 1.068) 4.130 14.278 ( -1.227 -0.557 -30.901) 30.930 14.660 ( -10.962 -0.837 -22.599) 25.131 16.991 ( 10.692 0.138 27.681) 29.675 17.860 ( 28.987 0.297 -2.887) 29.132 19.249 ( 0.305 -1.092 0.317) 1.177 19.361 ( 0.673 0.477 -7.453) 7.498 20.020 ( 1.288 0.427 -0.883) 1.619 20.104 ( -1.573 0.033 -6.755) 6.936 21.665 ( -9.282 0.322 14.455) 17.181 22.238 ( 5.262 4.997 -1.517) 7.413 22.415 ( 6.244 -7.479 9.573) 13.659 22.975 ( 5.170 0.257 -5.147) 7.300 23.766 ( 9.893 1.269 3.038) 10.426 23.876 ( 23.952 2.939 -1.519) 24.180 29.473 ( -22.617 0.997 1.083) 22.664 29.697 ( -25.870 -3.183 -7.119) 27.020 30.596 ( -2.001 -1.726 13.594) 13.848 31.377 ( 2.415 0.272 -11.292) 11.551 ======================= Grid point 246 (87/124) ======================= q-point: (-0.50 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( -7.403 3.260 5.181) 9.606 2.211 ( -3.913 -4.085 9.275) 10.864 2.239 ( -1.672 6.990 4.582) 8.523 2.431 ( -1.664 1.998 0.186) 2.606 2.692 ( 1.203 4.960 -1.122) 5.226 2.751 ( 3.754 3.444 4.813) 7.008 2.989 ( 0.617 -2.541 5.647) 6.223 3.044 ( -2.167 -3.395 1.723) 4.381 3.308 ( 1.650 2.592 1.642) 3.484 3.565 ( 2.704 4.436 -2.025) 5.576 3.702 ( -2.427 0.458 -8.303) 8.663 3.904 ( -10.524 3.051 0.387) 10.964 4.731 ( 0.170 -3.863 -1.785) 4.259 4.849 ( -5.837 -1.565 1.753) 6.292 5.199 ( -15.606 2.274 2.436) 15.957 5.987 ( -2.169 1.644 -18.896) 19.091 6.560 ( -64.123 0.616 4.680) 64.296 6.810 ( -38.905 1.729 -7.571) 39.673 7.306 ( -17.382 -1.134 9.330) 19.760 8.207 ( -6.665 -0.497 31.827) 32.521 8.918 ( 5.008 0.276 -32.660) 33.043 9.397 ( 9.022 -1.185 23.162) 24.886 10.130 ( -10.648 -0.123 21.141) 23.672 10.279 ( -15.123 -0.223 -24.097) 28.450 11.400 ( 6.284 -0.738 15.890) 17.103 11.425 ( -15.193 -0.933 -1.279) 15.275 12.136 ( -16.428 0.426 1.944) 16.548 12.534 ( 16.864 -1.053 -4.378) 17.455 13.507 ( 4.721 -1.257 4.046) 6.343 13.595 ( -11.563 -3.021 3.336) 12.408 14.367 ( -1.505 -0.502 -24.449) 24.501 14.427 ( -7.471 -3.751 -23.067) 24.535 17.278 ( 20.191 0.014 32.288) 38.081 18.400 ( 31.406 0.895 -4.763) 31.777 19.269 ( 0.490 -1.943 2.035) 2.857 19.379 ( 1.471 0.447 -6.149) 6.338 20.029 ( -2.096 0.642 -5.096) 5.548 20.045 ( -3.272 -0.021 -5.525) 6.422 21.494 ( -9.909 -0.753 18.253) 20.783 22.276 ( 2.502 2.303 -6.692) 7.507 22.578 ( 4.656 -6.297 9.395) 12.231 23.059 ( 4.975 0.405 -0.207) 4.995 23.923 ( 9.437 2.875 4.852) 10.994 24.301 ( 26.909 6.335 -8.602) 28.952 29.049 ( -22.521 1.307 0.829) 22.574 29.234 ( -29.278 -5.649 -6.020) 30.420 30.597 ( -0.747 -3.219 15.244) 15.598 31.424 ( 2.591 -0.750 -10.653) 10.990 ======================= Grid point 247 (88/124) ======================= q-point: (-0.40 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( -16.310 10.026 12.452) 22.839 2.044 ( -5.502 8.570 20.453) 22.849 2.257 ( 1.116 0.498 2.483) 2.767 2.413 ( 1.822 4.445 -6.065) 7.737 2.686 ( 2.976 5.975 -2.617) 7.170 2.740 ( -3.737 -1.962 6.478) 7.732 2.988 ( -5.917 -6.624 1.339) 8.982 3.033 ( -1.658 -0.447 3.899) 4.260 3.297 ( 1.007 6.010 -1.506) 6.277 3.431 ( -6.684 15.511 8.832) 19.059 3.688 ( -1.354 -5.737 -4.426) 7.372 3.705 ( -6.418 0.317 -10.268) 12.113 4.725 ( -3.163 -0.285 -5.243) 6.130 4.831 ( -3.993 -1.031 -7.474) 8.536 4.926 ( -6.944 -5.561 -7.597) 11.699 5.440 ( -42.188 -1.883 -4.438) 42.462 6.021 ( -5.363 4.612 -14.888) 16.483 6.138 ( -25.105 3.081 -8.506) 26.686 7.284 ( 4.886 -1.004 18.973) 19.618 8.085 ( -7.668 -0.377 34.115) 34.968 8.995 ( 7.174 0.545 -24.525) 25.558 9.538 ( -0.961 -0.923 24.574) 24.610 10.028 ( -1.008 0.553 28.828) 28.851 10.053 ( -6.340 -0.520 -24.362) 25.179 11.119 ( -14.909 -1.016 -10.235) 18.113 11.511 ( -1.275 -0.863 29.097) 29.138 11.968 ( -0.307 -2.234 -18.872) 19.006 12.797 ( 10.705 -3.433 -5.310) 12.432 13.375 ( -12.674 -2.218 6.754) 14.532 13.615 ( 4.370 -1.729 4.335) 6.394 14.089 ( -16.391 -0.733 -13.884) 21.493 14.566 ( 5.422 -5.130 -26.361) 27.398 17.639 ( 17.563 -0.778 34.963) 39.134 18.927 ( 27.207 0.932 -2.210) 27.313 19.298 ( 0.581 -2.203 3.284) 3.997 19.392 ( -0.308 -0.059 -4.521) 4.532 19.915 ( -7.378 -0.712 -6.775) 10.042 20.006 ( -3.080 1.326 -10.742) 11.253 21.344 ( -7.757 -2.719 21.595) 23.106 22.290 ( 0.355 -0.197 -10.622) 10.630 22.683 ( 2.079 -4.018 9.930) 10.912 23.141 ( 3.857 -0.120 1.942) 4.320 24.033 ( 6.044 4.506 6.606) 10.024 24.677 ( 20.525 7.375 -15.674) 26.858 28.701 ( -14.383 0.459 0.420) 14.397 28.793 ( -23.068 -3.298 -3.285) 23.533 30.624 ( -0.291 -5.314 17.065) 17.875 31.480 ( 2.015 -2.221 -9.818) 10.266 ======================= Grid point 248 (89/124) ======================= q-point: (-0.30 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 0.000 15.893 18.044) 24.045 1.902 ( 0.000 13.687 20.267) 24.455 2.259 ( 0.000 0.451 7.282) 7.296 2.367 ( 0.000 9.118 -11.168) 14.417 2.649 ( 0.000 9.054 -2.541) 9.403 2.735 ( -0.000 -11.323 13.688) 17.764 2.914 ( 0.000 4.015 -5.597) 6.888 3.038 ( -0.000 -3.451 3.184) 4.695 3.238 ( 0.000 13.285 7.768) 15.389 3.284 ( 0.000 2.976 2.808) 4.092 3.625 ( -0.000 -0.558 -13.271) 13.283 3.742 ( -0.000 -5.727 -4.838) 7.497 4.695 ( 0.000 0.987 -8.367) 8.425 4.710 ( 0.000 3.351 4.646) 5.728 5.037 ( -0.000 -11.585 -26.618) 29.030 5.057 ( -0.000 -2.280 -0.181) 2.287 5.856 ( 0.000 5.715 -10.417) 11.882 5.946 ( 0.000 5.229 -17.412) 18.180 7.366 ( -0.000 -2.554 21.810) 21.959 7.997 ( -0.000 -0.153 35.352) 35.352 9.109 ( 0.000 1.137 -27.370) 27.394 9.444 ( -0.000 -0.426 22.405) 22.409 10.028 ( 0.000 1.363 35.296) 35.322 10.043 ( -0.000 -1.142 -16.962) 17.000 10.981 ( -0.000 -1.493 -15.141) 15.215 11.465 ( 0.000 0.317 31.761) 31.763 12.047 ( -0.000 -5.398 -27.366) 27.893 12.952 ( -0.000 -6.308 -6.721) 9.218 13.255 ( -0.000 -1.457 10.322) 10.425 13.674 ( -0.000 -1.401 5.007) 5.199 13.918 ( -0.000 -0.270 -10.143) 10.147 14.665 ( -0.000 -6.169 -25.081) 25.828 17.824 ( -0.000 -1.566 36.215) 36.249 19.249 ( 0.000 0.647 9.621) 9.642 19.305 ( -0.000 -1.047 -5.994) 6.085 19.365 ( -0.000 -2.027 -0.921) 2.226 19.843 ( -0.000 -1.015 -8.258) 8.320 19.942 ( 0.000 1.849 -16.253) 16.358 21.302 ( -0.000 -5.004 23.718) 24.240 22.299 ( -0.000 -1.157 -11.038) 11.099 22.730 ( -0.000 -3.352 9.519) 10.091 23.182 ( -0.000 -0.751 2.317) 2.436 24.044 ( 0.000 5.781 6.857) 8.969 24.819 ( 0.000 8.041 -21.171) 22.647 28.562 ( -0.000 -0.008 0.094) 0.094 28.573 ( 0.000 0.039 -0.211) 0.214 30.681 ( -0.000 -8.045 18.401) 20.083 31.524 ( -0.000 -3.209 -8.935) 9.494 ======================= Grid point 255 (90/124) ======================= q-point: (-0.60 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( -4.221 0.000 2.684) 5.002 2.169 ( -5.213 0.000 11.405) 12.539 2.300 ( 1.613 -0.000 0.978) 1.886 2.445 ( -3.367 0.000 3.404) 4.788 2.740 ( 0.817 -0.000 0.603) 1.016 2.789 ( 3.970 -0.000 6.850) 7.917 2.980 ( -6.305 0.000 -0.810) 6.356 2.996 ( 2.726 -0.000 8.137) 8.582 3.331 ( 3.058 -0.000 1.872) 3.586 3.588 ( 2.563 -0.000 -7.937) 8.341 3.725 ( -1.635 0.000 -8.848) 8.998 3.934 ( -9.422 0.000 -0.675) 9.446 4.687 ( -1.630 0.000 0.885) 1.854 4.836 ( -6.697 0.000 3.082) 7.372 5.221 ( -15.701 0.000 2.682) 15.929 6.001 ( -2.777 0.000 -18.490) 18.697 6.566 ( -63.633 0.000 5.229) 63.848 6.826 ( -39.445 0.000 -6.910) 40.046 7.296 ( -16.479 0.000 8.614) 18.595 8.203 ( -6.507 0.000 31.790) 32.449 8.920 ( 5.295 -0.000 -32.894) 33.317 9.386 ( 8.933 -0.000 23.135) 24.800 10.129 ( -10.433 0.000 20.749) 23.224 10.277 ( -15.080 0.000 -24.337) 28.630 11.393 ( 8.999 -0.000 18.893) 20.927 11.416 ( -18.405 0.000 -4.052) 18.846 12.140 ( -16.791 0.000 2.300) 16.948 12.525 ( 16.328 -0.000 -4.734) 17.000 13.496 ( 5.260 -0.000 3.620) 6.385 13.567 ( -11.487 0.000 3.770) 12.090 14.365 ( 8.280 -0.000 -29.213) 30.364 14.392 ( -17.548 0.000 -17.973) 25.119 17.278 ( 19.977 -0.000 32.488) 38.138 18.408 ( 31.439 -0.000 -4.733) 31.793 19.252 ( 0.635 -0.000 2.467) 2.547 19.383 ( 1.260 -0.000 -6.851) 6.966 20.036 ( -6.043 0.000 -6.308) 8.736 20.043 ( 0.538 -0.000 -4.907) 4.936 21.488 ( -10.430 0.000 17.970) 20.778 22.307 ( 0.202 -0.000 -9.741) 9.743 22.511 ( 7.505 -0.000 13.061) 15.064 23.063 ( 4.782 -0.000 -0.454) 4.803 23.949 ( 9.619 -0.000 5.288) 10.977 24.356 ( 26.424 -0.000 -9.353) 28.030 29.067 ( -22.619 0.000 -0.035) 22.619 29.177 ( -28.495 0.000 -4.035) 28.780 30.569 ( -0.700 0.000 15.016) 15.032 31.417 ( 2.072 -0.000 -11.150) 11.341 ======================= Grid point 257 (91/124) ======================= q-point: (-0.50 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( -10.586 5.765 10.355) 15.891 2.078 ( -4.197 -1.731 20.244) 20.747 2.341 ( 2.550 6.374 0.814) 6.914 2.425 ( 1.276 -2.495 -0.606) 2.867 2.735 ( -10.369 0.555 7.135) 12.599 2.763 ( 3.183 2.628 0.072) 4.128 2.877 ( -6.626 -4.268 1.472) 8.018 3.030 ( 0.769 -0.213 6.554) 6.602 3.388 ( 3.117 3.695 0.869) 4.912 3.594 ( -5.406 -3.162 -5.893) 8.600 3.652 ( -2.184 5.180 -8.958) 10.576 3.732 ( -6.858 3.280 -4.606) 8.888 4.695 ( -0.112 -3.312 -8.860) 9.459 4.740 ( -2.908 -2.990 -8.908) 9.836 4.923 ( -14.504 1.080 0.337) 14.548 5.414 ( -43.195 -0.847 -4.292) 43.416 6.080 ( -4.459 1.840 -13.186) 14.040 6.176 ( -24.092 1.152 -6.903) 25.088 7.276 ( 4.899 -0.117 18.261) 18.907 8.081 ( -7.391 -0.061 33.560) 34.364 9.001 ( 6.982 0.129 -24.256) 25.241 9.525 ( -0.186 -0.397 24.556) 24.560 10.035 ( -0.433 0.235 27.718) 27.722 10.046 ( -6.845 -0.283 -24.273) 25.221 11.106 ( -15.179 -0.395 -9.964) 18.162 11.497 ( -0.002 -0.504 28.301) 28.306 11.943 ( -2.953 -0.669 -17.259) 17.523 12.756 ( 9.215 -1.202 -5.559) 10.829 13.347 ( -11.713 -0.883 7.617) 14.000 13.597 ( 5.474 -0.460 2.516) 6.042 14.082 ( -15.727 -0.143 -13.329) 20.616 14.502 ( 5.278 -1.946 -26.923) 27.504 17.630 ( 16.977 -0.278 35.264) 39.139 18.938 ( 26.732 0.334 -2.422) 26.843 19.271 ( 1.070 -0.788 4.565) 4.754 19.392 ( -0.773 0.021 -6.223) 6.271 19.906 ( -7.618 -0.266 -6.597) 10.081 20.022 ( -2.878 0.495 -11.588) 11.951 21.316 ( -8.226 -0.682 20.576) 22.170 22.291 ( -1.040 0.131 -13.232) 13.274 22.631 ( 4.297 -1.643 12.886) 13.682 23.139 ( 3.457 -0.034 1.706) 3.855 24.088 ( 6.197 1.609 7.531) 9.885 24.757 ( 18.171 2.107 -15.372) 23.895 28.712 ( -15.115 0.801 -0.147) 15.137 28.747 ( -19.348 -1.759 -1.477) 19.484 30.566 ( -0.391 -1.541 16.185) 16.263 31.453 ( 1.470 -0.791 -10.753) 10.882 ======================= Grid point 258 (92/124) ======================= q-point: (-0.40 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 0.000 12.698 15.033) 19.678 2.043 ( 0.000 3.020 23.608) 23.800 2.315 ( 0.000 5.664 1.692) 5.911 2.462 ( -0.000 -2.008 0.192) 2.017 2.576 ( -0.000 -2.708 7.743) 8.203 2.764 ( 0.000 3.734 0.381) 3.754 2.870 ( -0.000 -5.821 -2.730) 6.429 3.031 ( 0.000 1.154 5.814) 5.927 3.358 ( 0.000 6.291 -2.407) 6.736 3.510 ( 0.000 10.666 7.761) 13.191 3.613 ( -0.000 -0.623 -14.365) 14.379 3.660 ( -0.000 -0.817 -9.228) 9.265 4.696 ( -0.000 -0.508 -10.578) 10.590 4.761 ( 0.000 2.278 2.000) 3.031 4.822 ( -0.000 -11.597 -21.279) 24.234 5.020 ( -0.000 -1.800 0.000) 1.800 5.943 ( 0.000 3.782 -7.460) 8.364 6.021 ( 0.000 3.041 -16.353) 16.634 7.343 ( -0.000 -0.431 21.484) 21.489 7.995 ( -0.000 -0.026 34.116) 34.116 9.118 ( 0.000 0.110 -26.297) 26.297 9.437 ( -0.000 -0.272 22.379) 22.381 10.026 ( -0.000 -0.716 -17.570) 17.585 10.047 ( 0.000 0.821 34.747) 34.757 10.959 ( -0.000 -0.974 -15.047) 15.079 11.466 ( -0.000 -0.133 32.630) 32.630 11.972 ( -0.000 -2.941 -26.783) 26.944 12.865 ( -0.000 -3.443 -5.650) 6.616 13.234 ( -0.000 -0.899 10.729) 10.767 13.666 ( 0.000 0.015 1.522) 1.523 13.913 ( -0.000 -0.183 -10.313) 10.314 14.575 ( -0.000 -3.791 -25.941) 26.217 17.802 ( -0.000 -0.910 36.453) 36.465 19.259 ( 0.000 0.400 9.264) 9.272 19.288 ( -0.000 -0.718 2.295) 2.404 19.340 ( -0.000 -0.917 -9.914) 9.957 19.828 ( -0.000 -0.627 -7.884) 7.909 19.969 ( 0.000 1.130 -16.975) 17.013 21.247 ( -0.000 -1.737 22.139) 22.207 22.283 ( -0.000 -0.636 -13.907) 13.922 22.683 ( -0.000 -1.867 12.242) 12.384 23.174 ( -0.000 -0.274 2.208) 2.225 24.125 ( 0.000 3.209 8.241) 8.844 24.911 ( 0.000 2.939 -18.735) 18.964 28.562 ( -0.000 -0.004 0.101) 0.102 28.573 ( 0.000 0.023 -0.222) 0.223 30.584 ( -0.000 -3.318 17.079) 17.398 31.479 ( -0.000 -1.835 -10.278) 10.441 ======================= Grid point 268 (93/124) ======================= q-point: ( 0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -0.000 -0.000 12.267) 12.267 2.061 ( 0.000 0.000 22.629) 22.629 2.384 ( -0.000 -0.000 1.836) 1.836 2.392 ( 0.000 0.000 16.151) 16.151 2.588 ( 0.000 0.000 -4.492) 4.492 2.772 ( 0.000 0.000 0.035) 0.035 2.826 ( 0.000 0.000 1.540) 1.540 3.041 ( 0.000 0.000 6.669) 6.669 3.448 ( -0.000 -0.000 2.294) 2.294 3.516 ( 0.000 0.000 -4.991) 4.991 3.607 ( -0.000 -0.000 -14.817) 14.817 3.735 ( 0.000 0.000 -7.643) 7.643 4.688 ( 0.000 0.000 -16.640) 16.640 4.702 ( -0.000 -0.000 -12.448) 12.448 4.782 ( 0.000 0.000 0.721) 0.721 5.002 ( 0.000 0.000 0.358) 0.358 5.978 ( 0.000 0.000 -5.973) 5.973 6.048 ( -0.000 -0.000 -16.292) 16.292 7.341 ( 0.000 0.000 21.369) 21.369 7.995 ( 0.000 0.000 33.615) 33.615 9.118 ( 0.000 0.000 -25.847) 25.847 9.435 ( 0.000 0.000 22.373) 22.373 10.019 ( 0.000 0.000 -17.813) 17.813 10.055 ( 0.000 0.000 34.549) 34.549 10.950 ( 0.000 0.000 -15.010) 15.010 11.464 ( 0.000 0.000 32.754) 32.754 11.946 ( 0.000 0.000 -26.483) 26.483 12.835 ( 0.000 0.000 -5.678) 5.678 13.226 ( -0.000 -0.000 10.880) 10.880 13.667 ( 0.000 0.000 0.582) 0.582 13.912 ( 0.000 0.000 -10.381) 10.381 14.541 ( 0.000 0.000 -26.219) 26.219 17.794 ( 0.000 0.000 36.552) 36.552 19.262 ( 0.000 0.000 9.129) 9.129 19.282 ( 0.000 0.000 6.362) 6.362 19.332 ( 0.000 0.000 -14.309) 14.309 19.822 ( 0.000 0.000 -7.740) 7.740 19.980 ( 0.000 0.000 -17.266) 17.266 21.232 ( 0.000 0.000 21.512) 21.512 22.277 ( 0.000 0.000 -15.074) 15.074 22.666 ( 0.000 0.000 13.452) 13.452 23.172 ( 0.000 0.000 2.180) 2.180 24.153 ( 0.000 0.000 8.682) 8.682 24.935 ( 0.000 0.000 -17.768) 17.768 28.562 ( 0.000 0.000 0.104) 0.104 28.573 ( 0.000 0.000 -0.226) 0.226 30.556 ( 0.000 0.000 16.514) 16.514 31.462 ( 0.000 0.000 -10.754) 10.754 ======================= Grid point 315 (94/124) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 0.000 0.000 22.756) 22.756 1.441 ( 0.000 0.000 27.279) 27.279 1.664 ( 0.000 0.000 -19.528) 19.528 1.918 ( 0.000 0.000 -22.135) 22.135 2.680 ( 0.000 0.000 -1.441) 1.441 2.687 ( 0.000 0.000 -1.574) 1.574 3.103 ( 0.000 0.000 29.683) 29.683 3.265 ( 0.000 0.000 8.254) 8.254 3.303 ( 0.000 0.000 -4.265) 4.265 3.326 ( 0.000 0.000 8.374) 8.374 3.431 ( 0.000 0.000 -9.316) 9.316 3.718 ( 0.000 0.000 -19.559) 19.559 4.575 ( 0.000 0.000 10.223) 10.223 4.796 ( 0.000 0.000 13.463) 13.463 4.854 ( 0.000 0.000 -19.623) 19.623 5.062 ( 0.000 0.000 -11.596) 11.596 5.409 ( 0.000 0.000 -4.556) 4.556 5.467 ( 0.000 0.000 -7.600) 7.600 8.007 ( 0.000 0.000 20.196) 20.196 8.440 ( 0.000 0.000 -25.381) 25.381 8.726 ( 0.000 0.000 37.145) 37.145 9.362 ( 0.000 0.000 -28.152) 28.152 10.217 ( 0.000 0.000 24.402) 24.402 10.677 ( 0.000 0.000 -22.392) 22.392 10.723 ( 0.000 0.000 41.275) 41.275 11.468 ( 0.000 0.000 -33.989) 33.989 12.151 ( 0.000 0.000 26.634) 26.634 12.704 ( 0.000 0.000 -28.411) 28.411 13.506 ( 0.000 0.000 11.185) 11.185 13.723 ( 0.000 0.000 -11.495) 11.495 14.264 ( 0.000 0.000 12.565) 12.565 14.531 ( 0.000 0.000 -15.875) 15.875 18.535 ( 0.000 0.000 31.820) 31.820 19.056 ( 0.000 0.000 -22.318) 22.318 19.446 ( 0.000 0.000 12.514) 12.514 19.532 ( 0.000 0.000 4.131) 4.131 19.646 ( 0.000 0.000 -8.656) 8.656 19.680 ( 0.000 0.000 -11.921) 11.921 22.035 ( 0.000 0.000 7.640) 7.640 22.201 ( 0.000 0.000 -9.810) 9.810 23.107 ( 0.000 0.000 7.301) 7.301 23.250 ( 0.000 0.000 -7.777) 7.777 23.760 ( 0.000 0.000 9.941) 9.941 23.906 ( 0.000 0.000 -5.188) 5.188 28.564 ( 0.000 0.000 0.130) 0.130 28.567 ( 0.000 0.000 -0.178) 0.178 31.451 ( 0.000 0.000 4.330) 4.330 31.540 ( 0.000 0.000 -4.992) 4.992 ======================= Grid point 316 (95/124) ======================= q-point: ( 0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 11.789 -3.947 21.337) 24.695 1.600 ( 21.218 -6.542 15.290) 26.959 1.866 ( 15.778 -2.106 -12.117) 20.005 1.999 ( 6.241 -5.331 -18.279) 20.037 2.686 ( 2.193 2.106 0.126) 3.043 2.706 ( 1.799 -0.080 -2.453) 3.043 3.099 ( 1.550 -0.217 21.566) 21.623 3.227 ( -1.739 4.677 1.007) 5.091 3.300 ( -0.518 0.758 3.856) 3.964 3.311 ( -2.407 -3.376 5.174) 6.631 3.552 ( 9.619 0.206 -4.294) 10.535 3.763 ( 3.996 -0.587 -15.550) 16.066 4.585 ( 0.684 -0.936 8.968) 9.042 4.746 ( -1.829 -0.291 -1.525) 2.399 4.999 ( 11.272 0.463 -2.006) 11.458 5.219 ( 11.823 -0.714 -18.669) 22.110 5.650 ( 31.409 -1.533 2.853) 31.576 5.754 ( 32.118 -1.631 -8.419) 33.243 7.895 ( -8.449 1.485 23.892) 25.385 8.380 ( -5.441 -0.579 -27.382) 27.923 8.812 ( 6.887 0.357 36.275) 36.925 9.478 ( 9.412 0.059 -32.754) 34.079 10.138 ( -5.800 0.610 25.506) 26.164 10.443 ( -8.318 0.672 2.634) 8.751 11.081 ( 22.792 0.087 12.819) 26.150 11.587 ( 11.620 0.608 -30.648) 32.783 12.089 ( -5.214 -0.105 29.515) 29.972 12.622 ( -8.334 0.151 -25.292) 26.630 13.615 ( 10.891 0.335 9.714) 14.598 13.810 ( 6.938 -0.169 -8.415) 10.908 14.211 ( -2.315 4.596 6.844) 8.563 14.449 ( -7.903 2.308 -16.169) 18.145 18.275 ( -24.731 0.199 27.811) 37.217 18.704 ( -30.309 -0.169 -16.652) 34.582 19.419 ( -2.424 0.814 5.025) 5.638 19.490 ( -2.510 0.915 -1.010) 2.856 19.808 ( 10.464 -0.062 -4.520) 11.398 19.813 ( 10.091 -0.345 -5.020) 11.276 22.038 ( 2.118 4.222 8.126) 9.399 22.201 ( 0.391 1.368 -9.188) 9.297 23.086 ( -1.039 3.602 6.970) 7.914 23.192 ( -5.476 2.107 -3.597) 6.882 23.697 ( -10.104 -8.373 7.119) 14.929 23.800 ( -12.787 -6.137 -2.958) 14.489 28.733 ( 17.699 0.160 2.831) 17.925 28.812 ( 24.612 0.529 -6.100) 25.362 31.382 ( -4.530 4.950 5.570) 8.721 31.491 ( -4.411 1.750 -5.874) 7.551 ======================= Grid point 317 (96/124) ======================= q-point: ( 0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 11.213 -8.914 16.774) 22.058 1.980 ( 13.927 -4.353 2.089) 14.740 2.103 ( 9.113 -0.504 -3.589) 9.807 2.187 ( 6.836 -4.634 -8.957) 12.183 2.714 ( 3.182 3.621 1.760) 5.132 2.751 ( 3.236 1.197 -2.475) 4.246 3.142 ( -2.681 2.693 2.007) 4.297 3.172 ( 2.335 2.130 2.286) 3.901 3.242 ( -1.614 -1.072 11.156) 11.323 3.368 ( 3.731 -6.746 5.322) 9.367 3.677 ( 4.495 0.979 0.464) 4.623 3.837 ( 3.209 -0.439 -8.788) 9.366 4.624 ( 2.225 -3.138 5.852) 7.003 4.767 ( 4.279 -1.221 -7.689) 8.884 5.200 ( 10.919 -0.663 4.366) 11.778 5.407 ( 7.570 -3.504 -16.426) 18.423 6.528 ( 56.416 -1.347 0.341) 56.433 6.548 ( 49.818 -2.500 -2.106) 49.925 7.809 ( 5.538 2.609 22.380) 23.202 8.306 ( -2.051 0.470 -29.572) 29.647 8.894 ( 2.797 0.348 34.646) 34.760 9.529 ( -4.615 0.158 -28.399) 28.772 10.152 ( 9.612 1.425 18.359) 20.772 10.412 ( 5.447 1.842 -2.124) 6.130 11.480 ( 21.210 0.200 10.409) 23.627 11.713 ( -1.161 1.288 -4.001) 4.361 12.114 ( 11.591 -0.909 10.849) 15.903 12.434 ( -11.850 0.434 -16.450) 20.278 13.797 ( 0.202 1.981 8.681) 8.907 13.848 ( 4.254 -0.718 6.520) 7.818 14.173 ( -3.890 6.254 -12.940) 14.889 14.254 ( -2.720 2.500 -17.794) 18.173 17.799 ( -25.995 -0.208 23.456) 35.014 18.157 ( -29.361 -0.603 -14.370) 32.695 19.353 ( -3.745 1.128 3.523) 5.264 19.430 ( -2.821 2.018 -3.555) 4.967 19.945 ( 4.583 -0.459 -1.416) 4.818 19.954 ( 5.257 -0.431 -2.809) 5.976 22.024 ( 1.343 6.342 8.969) 11.066 22.180 ( -1.147 2.337 -7.907) 8.324 22.990 ( -6.577 2.739 5.640) 9.087 23.036 ( -9.826 0.540 1.257) 9.920 23.582 ( -11.935 -11.511 4.654) 17.222 23.646 ( -9.583 -6.881 -2.181) 11.997 29.126 ( 25.010 0.738 6.984) 25.977 29.303 ( 28.829 1.973 -12.115) 31.333 31.236 ( -5.301 6.604 6.749) 10.829 31.369 ( -6.581 2.784 -7.074) 10.054 ======================= Grid point 318 (97/124) ======================= q-point: ( 0.30 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 8.591 -9.049 10.985) 16.624 2.208 ( 8.528 -2.914 -0.816) 9.049 2.225 ( 5.650 0.974 -0.183) 5.736 2.293 ( 3.246 -1.296 -5.474) 6.494 2.726 ( 2.361 4.670 2.519) 5.807 2.763 ( 0.704 4.290 -0.664) 4.398 3.051 ( -5.989 -0.119 2.534) 6.504 3.086 ( -6.718 -0.433 -0.732) 6.772 3.351 ( 7.700 -0.537 8.863) 11.753 3.490 ( 2.244 -2.049 -2.475) 3.919 3.747 ( 4.914 -2.161 9.691) 11.078 3.885 ( 1.432 -2.443 -3.012) 4.134 4.735 ( 6.499 -4.692 7.656) 11.085 4.926 ( 10.849 -2.055 -10.437) 15.193 5.388 ( 8.676 -1.642 5.350) 10.324 5.546 ( 4.208 -3.611 -11.350) 12.632 7.056 ( 5.815 -2.564 15.537) 16.787 7.454 ( 27.453 -2.844 -20.928) 34.637 8.288 ( 47.574 2.813 4.184) 47.840 8.409 ( 23.154 2.497 -10.742) 25.646 8.971 ( 9.730 0.000 29.263) 30.838 9.466 ( 2.338 -0.195 -16.983) 17.144 10.336 ( 10.004 2.093 7.238) 12.524 10.539 ( 8.939 2.858 -6.398) 11.358 11.592 ( -9.216 0.599 15.371) 17.932 11.770 ( 7.163 0.417 -2.336) 7.546 12.233 ( -6.734 0.432 6.894) 9.647 12.410 ( 16.626 -0.591 -7.053) 18.069 13.632 ( -9.198 1.711 8.735) 12.800 13.860 ( -16.317 2.674 -15.608) 22.738 14.015 ( 6.526 1.652 7.948) 10.416 14.321 ( 4.175 2.168 -22.860) 23.340 17.413 ( -16.681 -0.236 19.232) 25.459 17.702 ( -21.806 -0.164 -11.389) 24.602 19.277 ( -3.592 0.585 2.271) 4.289 19.355 ( -3.404 2.338 -5.032) 6.509 19.997 ( 1.348 -0.523 0.403) 1.501 20.016 ( 1.577 -0.486 -2.041) 2.625 21.976 ( -0.494 5.657 8.574) 10.284 22.115 ( -3.201 3.491 -6.716) 8.218 22.839 ( -9.472 -3.147 3.537) 10.589 22.856 ( -9.795 -0.814 2.244) 10.082 23.501 ( -6.395 -7.288 4.587) 10.726 23.564 ( -6.102 -4.997 -2.222) 8.194 29.557 ( 23.180 0.987 8.309) 24.644 29.746 ( 22.217 2.376 -11.532) 25.144 31.096 ( -3.800 6.137 5.811) 9.267 31.223 ( -6.950 2.259 -7.272) 10.310 ======================= Grid point 319 (98/124) ======================= q-point: ( 0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 3.945 -7.332 5.487) 9.972 2.304 ( 4.794 1.880 -0.262) 5.156 2.321 ( 4.125 2.372 0.311) 4.769 2.361 ( 1.706 -2.848 -4.216) 5.366 2.721 ( 1.604 3.963 3.347) 5.430 2.735 ( 0.650 2.847 1.995) 3.537 2.949 ( -5.281 -1.308 2.099) 5.832 2.981 ( -5.625 -0.826 -0.759) 5.736 3.442 ( 2.735 1.558 2.197) 3.838 3.485 ( -1.573 0.703 -1.988) 2.631 3.879 ( 6.232 -2.020 8.938) 11.082 3.945 ( 1.153 -4.527 1.688) 4.967 4.930 ( 10.124 -4.264 13.200) 17.173 5.115 ( 6.503 -0.755 -2.144) 6.888 5.529 ( 5.512 -1.355 3.236) 6.533 5.614 ( 0.743 -1.944 -6.044) 6.392 7.074 ( 0.505 -1.325 3.916) 4.165 7.478 ( -14.493 -0.503 -34.089) 37.045 8.874 ( 13.773 0.023 17.138) 21.986 8.903 ( 20.146 2.093 12.430) 23.765 9.498 ( 44.871 0.131 5.526) 45.210 9.747 ( 27.126 -2.212 -15.398) 31.270 10.473 ( 10.566 2.217 5.001) 11.898 10.647 ( 7.039 2.867 -8.634) 11.503 11.361 ( -17.473 0.464 12.395) 21.428 11.558 ( -26.418 0.391 -8.183) 27.659 12.326 ( 13.107 0.384 20.312) 24.177 12.616 ( 4.024 -0.186 -5.865) 7.115 13.505 ( -3.553 0.597 3.939) 5.338 13.581 ( -10.086 1.561 -4.327) 11.086 14.107 ( 5.183 0.818 -3.036) 6.062 14.312 ( -3.545 0.804 -21.640) 21.943 17.220 ( -5.218 -0.081 12.710) 13.739 17.387 ( -13.460 0.341 -4.921) 14.336 19.226 ( -1.681 -0.245 -0.175) 1.708 19.277 ( -2.963 1.898 -4.958) 6.080 20.016 ( 0.544 -0.387 0.831) 1.066 20.031 ( -0.014 -0.292 -0.982) 1.024 21.928 ( -0.150 2.746 5.418) 6.076 22.016 ( -4.024 3.272 -4.231) 6.693 22.725 ( -6.102 -2.957 2.714) 7.304 22.729 ( -5.563 -2.171 2.148) 6.346 23.472 ( -2.034 -2.919 3.111) 4.726 23.509 ( -3.755 -2.523 -0.830) 4.599 29.905 ( 15.910 0.524 6.358) 17.141 30.030 ( 10.893 1.430 -6.414) 12.721 31.003 ( -0.885 4.692 2.455) 5.369 31.089 ( -6.559 0.400 -6.125) 8.983 ======================= Grid point 320 (99/124) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( -1.679 -5.957 1.727) 6.426 2.330 ( 1.679 5.957 1.727) 6.426 2.364 ( -3.573 -4.958 -1.719) 6.349 2.364 ( 3.573 4.958 -1.719) 6.349 2.727 ( -0.490 -0.581 3.456) 3.539 2.727 ( 0.490 0.581 3.456) 3.539 2.916 ( -0.462 -1.652 0.382) 1.758 2.916 ( 0.462 1.652 0.382) 1.758 3.458 ( -1.198 -0.688 -0.623) 1.515 3.458 ( 1.198 0.688 -0.623) 1.515 3.965 ( -2.597 -1.544 5.097) 5.925 3.965 ( 2.597 1.544 5.097) 5.925 5.116 ( -5.617 2.120 11.126) 12.642 5.116 ( 5.617 -2.120 11.126) 12.642 5.607 ( -2.456 0.013 -0.705) 2.555 5.607 ( 2.456 -0.013 -0.705) 2.555 7.201 ( -12.806 0.902 -19.956) 23.728 7.201 ( 12.806 -0.902 -19.956) 23.728 9.015 ( 0.590 -0.463 16.842) 16.859 9.015 ( -0.590 0.463 16.842) 16.859 10.027 ( -7.459 -1.645 -8.551) 11.465 10.027 ( 7.459 1.645 -8.551) 11.465 10.769 ( -6.762 0.217 2.084) 7.079 10.769 ( 6.762 -0.217 2.084) 7.079 11.078 ( -7.171 -0.190 -0.047) 7.174 11.078 ( 7.171 0.190 -0.047) 7.174 12.548 ( -10.142 -0.191 8.014) 12.927 12.548 ( 10.142 0.191 8.014) 12.927 13.485 ( -1.239 0.279 1.462) 1.936 13.485 ( 1.239 -0.279 1.462) 1.936 14.208 ( -6.675 -0.218 -14.944) 16.368 14.208 ( 6.675 0.218 -14.944) 16.368 17.220 ( -4.799 0.252 4.003) 6.255 17.220 ( 4.799 -0.252 4.003) 6.255 19.226 ( 0.875 -1.092 -3.064) 3.369 19.226 ( -0.875 1.092 -3.064) 3.369 20.027 ( -0.307 -0.367 0.183) 0.513 20.027 ( 0.307 0.367 0.183) 0.513 21.937 ( -1.211 -1.195 0.389) 1.745 21.937 ( 1.211 1.195 0.389) 1.745 22.687 ( -0.914 -1.724 2.291) 3.010 22.687 ( 0.914 1.724 2.291) 3.010 23.477 ( -1.100 -0.097 1.102) 1.560 23.477 ( 1.100 0.097 1.102) 1.560 30.087 ( -3.770 0.238 1.043) 3.919 30.087 ( 3.770 -0.238 1.043) 3.919 30.999 ( -3.911 -2.422 -2.736) 5.352 30.999 ( 3.911 2.422 -2.736) 5.352 ======================= Grid point 327 (100/124) ======================= q-point: ( 0.10 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 12.429 -0.000 18.911) 22.630 1.940 ( 15.034 -0.000 -0.388) 15.039 2.115 ( 8.455 -0.000 -7.081) 11.029 2.127 ( 12.015 -0.000 -4.422) 12.803 2.749 ( 2.827 -0.000 -0.248) 2.838 2.760 ( 4.843 -0.000 -1.785) 5.162 3.175 ( -1.177 0.000 3.241) 3.448 3.219 ( -6.685 0.000 -0.979) 6.756 3.231 ( 4.613 -0.000 17.627) 18.221 3.278 ( 2.679 -0.000 5.235) 5.881 3.688 ( 4.607 -0.000 -1.858) 4.967 3.829 ( 2.704 -0.000 -10.255) 10.605 4.594 ( 1.467 -0.000 8.059) 8.192 4.755 ( 3.844 -0.000 -7.087) 8.062 5.196 ( 10.485 -0.000 2.073) 10.688 5.373 ( 7.453 -0.000 -15.539) 17.234 6.518 ( 59.330 -0.000 -0.281) 59.331 6.522 ( 46.466 -0.000 -1.879) 46.504 7.833 ( 5.884 -0.000 21.449) 22.242 8.310 ( -1.291 0.000 -28.575) 28.604 8.898 ( 2.616 -0.000 34.199) 34.299 9.530 ( -4.466 0.000 -28.760) 29.105 10.165 ( 9.616 -0.000 19.179) 21.454 10.429 ( 5.689 -0.000 -1.801) 5.967 11.482 ( 21.284 -0.000 10.652) 23.801 11.725 ( -1.567 0.000 -4.274) 4.552 12.105 ( 11.752 -0.000 11.106) 16.169 12.438 ( -11.894 0.000 -17.089) 20.821 13.825 ( -6.502 0.000 8.176) 10.446 13.831 ( 11.470 -0.000 5.159) 12.576 14.250 ( -15.032 0.000 -13.203) 20.007 14.260 ( 5.911 -0.000 -16.298) 17.337 17.797 ( -26.077 0.000 23.231) 34.924 18.152 ( -29.172 0.000 -14.270) 32.475 19.364 ( -4.059 0.000 4.100) 5.769 19.449 ( -2.826 0.000 -3.784) 4.723 19.942 ( 4.532 -0.000 -1.594) 4.805 19.948 ( 5.242 -0.000 -2.990) 6.035 22.093 ( 1.726 -0.000 5.309) 5.583 22.199 ( -1.336 0.000 -6.205) 6.347 23.020 ( -14.161 0.000 5.965) 15.366 23.039 ( -7.929 0.000 2.801) 8.409 23.466 ( -8.239 0.000 7.814) 11.356 23.581 ( -7.636 0.000 -4.309) 8.768 29.133 ( 25.131 -0.000 7.409) 26.201 29.320 ( 28.946 -0.000 -12.875) 31.680 31.301 ( -6.317 0.000 4.069) 7.514 31.393 ( -7.051 0.000 -5.445) 8.908 ======================= Grid point 328 (101/124) ======================= q-point: ( 0.20 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 10.905 -3.372 13.464) 17.651 2.154 ( 8.582 -1.752 -7.403) 11.469 2.246 ( 6.993 0.708 2.523) 7.468 2.288 ( 6.386 -0.007 -2.030) 6.701 2.786 ( 2.138 1.820 1.816) 3.343 2.833 ( 3.377 2.686 -2.969) 5.238 3.051 ( -8.123 0.322 2.586) 8.531 3.071 ( -9.208 -1.085 0.870) 9.313 3.367 ( 9.545 2.440 8.415) 12.956 3.436 ( 8.415 -3.762 5.210) 10.588 3.720 ( 0.433 -0.564 4.557) 4.612 3.848 ( -0.972 -1.474 -4.930) 5.237 4.670 ( 6.641 -2.127 10.128) 12.296 4.899 ( 11.192 -0.902 -11.654) 16.183 5.371 ( 8.868 -0.394 3.171) 9.426 5.498 ( 5.450 -1.565 -10.384) 11.831 7.023 ( 7.336 -0.987 15.305) 17.001 7.419 ( 28.157 -1.051 -21.202) 35.263 8.325 ( 46.100 1.155 4.417) 46.325 8.439 ( 22.949 0.875 -9.998) 25.048 8.971 ( 9.420 0.000 28.173) 29.706 9.463 ( 1.418 -0.071 -17.721) 17.778 10.363 ( 10.114 0.820 8.695) 13.363 10.576 ( 9.102 1.180 -6.144) 11.045 11.601 ( -9.615 0.292 15.754) 18.458 11.776 ( 7.358 0.228 -1.719) 7.560 12.237 ( -6.965 0.111 5.962) 9.169 12.402 ( 17.061 -0.225 -6.794) 18.365 13.651 ( -10.207 0.527 8.917) 13.563 13.887 ( -14.829 0.624 -17.220) 22.734 14.041 ( 3.110 0.956 8.893) 9.469 14.350 ( 2.851 0.920 -23.422) 23.613 17.411 ( -16.409 -0.024 19.151) 25.219 17.702 ( -21.149 0.046 -11.668) 24.155 19.285 ( -4.214 0.286 3.588) 5.542 19.385 ( -3.802 0.966 -6.021) 7.186 19.991 ( 1.430 -0.147 -0.018) 1.437 20.007 ( 1.505 -0.427 -2.135) 2.646 22.087 ( 0.093 5.684 4.647) 7.342 22.162 ( -2.062 0.802 -4.032) 4.599 22.768 ( -13.512 -3.155 7.439) 15.744 22.826 ( -14.115 -1.915 1.220) 14.297 23.413 ( -0.785 -2.454 5.780) 6.328 23.503 ( -3.172 -1.789 -3.560) 5.093 29.569 ( 22.883 0.360 9.116) 24.634 29.774 ( 21.362 0.790 -12.289) 24.658 31.181 ( -5.186 2.860 2.136) 6.296 31.252 ( -8.077 0.853 -4.936) 9.504 ======================= Grid point 329 (102/124) ======================= q-point: ( 0.30 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 5.970 -4.327 8.169) 11.005 2.266 ( 2.039 -2.443 -5.325) 6.203 2.367 ( 6.981 2.016 1.846) 7.497 2.385 ( 6.266 1.727 -0.474) 6.517 2.791 ( 0.581 3.337 2.274) 4.080 2.806 ( -1.953 5.280 1.262) 5.769 2.918 ( -6.833 -1.977 2.898) 7.681 2.957 ( -4.054 -2.143 -2.044) 5.021 3.486 ( 4.645 3.354 2.246) 6.153 3.511 ( -0.354 2.132 -0.260) 2.177 3.803 ( 5.130 -6.070 7.454) 10.896 3.860 ( 0.625 -4.406 1.652) 4.747 4.864 ( 11.738 -2.883 15.798) 19.891 5.104 ( 8.714 -0.492 -5.114) 10.116 5.512 ( 6.386 -0.537 2.377) 6.835 5.584 ( 2.593 -1.362 -5.872) 6.562 7.055 ( 1.147 -0.820 4.987) 5.183 7.470 ( -12.573 -0.318 -34.211) 36.449 8.873 ( 12.273 -0.103 18.790) 22.443 8.935 ( 19.034 1.355 11.678) 22.372 9.501 ( 45.245 0.193 3.143) 45.355 9.715 ( 26.151 -1.280 -15.145) 30.247 10.505 ( 9.771 1.345 6.166) 11.632 10.691 ( 5.969 1.934 -8.711) 10.736 11.371 ( -17.118 0.545 12.599) 21.261 11.566 ( -26.538 0.410 -7.808) 27.666 12.331 ( 13.038 0.194 20.327) 24.150 12.614 ( 4.331 -0.059 -5.329) 6.867 13.509 ( -4.825 0.014 4.204) 6.400 13.599 ( -12.021 0.519 -5.512) 13.235 14.120 ( 4.771 0.563 -2.983) 5.654 14.325 ( -4.596 0.583 -21.960) 22.443 17.221 ( -5.057 0.139 12.922) 13.877 17.395 ( -13.154 0.471 -5.405) 14.229 19.223 ( -2.370 -0.108 1.525) 2.820 19.306 ( -3.663 1.270 -6.606) 7.660 20.008 ( 0.536 -0.312 0.488) 0.789 20.023 ( 0.128 -0.576 -1.134) 1.279 22.016 ( -0.907 6.800 5.276) 8.655 22.100 ( -2.380 5.097 -4.053) 6.933 22.620 ( -7.968 -6.625 5.297) 11.638 22.660 ( -7.127 -6.031 0.908) 9.380 23.439 ( 1.673 -0.927 3.084) 3.629 23.479 ( -1.064 -1.003 -0.993) 1.767 29.911 ( 15.082 0.181 7.094) 16.668 30.047 ( 9.479 0.541 -6.738) 11.642 31.078 ( -3.286 3.284 -1.425) 4.859 31.100 ( -7.523 0.798 -3.316) 8.260 ======================= Grid point 330 (103/124) ======================= q-point: ( 0.40 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 0.173 -4.549 3.277) 5.609 2.283 ( -2.702 -3.293 -2.319) 4.850 2.436 ( 4.511 4.901 1.647) 6.862 2.467 ( 5.100 5.306 -1.561) 7.523 2.722 ( -3.760 0.183 3.844) 5.380 2.739 ( -3.581 0.658 2.150) 4.228 2.890 ( 1.706 -1.074 3.486) 4.027 2.944 ( 1.740 1.340 -2.572) 3.382 3.464 ( -1.860 1.435 0.669) 2.443 3.487 ( 0.165 2.661 -1.860) 3.251 3.902 ( -0.610 -5.151 6.631) 8.419 3.949 ( 3.793 -3.089 2.537) 5.511 5.083 ( 8.568 -1.485 14.936) 17.283 5.151 ( -3.167 1.736 8.460) 9.199 5.605 ( 2.325 -0.001 -0.469) 2.372 5.610 ( 0.980 0.129 -1.237) 1.583 7.186 ( 13.390 -0.713 -18.686) 23.000 7.216 ( -12.183 0.753 -21.143) 24.414 8.995 ( 1.391 -1.010 17.908) 17.990 9.033 ( -3.071 0.844 15.611) 15.933 10.001 ( -5.470 -1.208 -6.487) 8.571 10.055 ( 9.525 1.398 -10.558) 14.289 10.764 ( 2.198 -0.224 2.561) 3.382 10.774 ( -9.432 0.223 1.526) 9.557 11.078 ( -4.390 0.301 0.563) 4.436 11.088 ( 4.230 0.703 -0.437) 4.311 12.545 ( -10.356 -0.118 8.164) 13.188 12.551 ( 9.994 0.212 7.878) 12.728 13.474 ( 0.051 -0.872 1.936) 2.124 13.483 ( -2.338 -0.427 0.912) 2.546 14.206 ( -7.142 -0.086 -14.747) 16.386 14.213 ( 5.776 0.282 -15.099) 16.169 17.219 ( 4.628 0.105 4.434) 6.410 17.228 ( -4.752 0.524 3.594) 5.981 19.208 ( 0.246 -0.845 -1.157) 1.454 19.245 ( -1.749 0.966 -4.997) 5.382 20.017 ( 0.020 -0.504 0.525) 0.728 20.028 ( 0.221 -0.246 -0.600) 0.685 21.960 ( -0.132 3.998 3.227) 5.139 22.009 ( -0.824 6.097 -1.545) 6.344 22.603 ( -1.162 -7.238 5.248) 9.015 22.661 ( 1.220 -4.216 -1.238) 4.561 23.484 ( 2.040 0.822 1.401) 2.607 23.488 ( 3.662 0.981 0.926) 3.902 30.077 ( 1.866 -0.698 1.556) 2.528 30.089 ( -4.118 -0.164 0.306) 4.132 30.966 ( -5.898 -1.268 1.501) 6.216 31.045 ( 1.568 2.609 -6.798) 7.448 ======================= Grid point 331 (104/124) ======================= q-point: (-0.50 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( -4.024 -4.262 0.485) 5.881 2.246 ( -3.832 -3.481 -0.884) 5.253 2.418 ( -0.228 9.327 2.890) 9.767 2.469 ( 1.488 7.506 -2.451) 8.035 2.668 ( -3.167 -2.161 4.424) 5.854 2.696 ( -1.529 -1.712 1.530) 2.759 2.958 ( 4.595 -0.205 2.521) 5.245 2.995 ( 5.051 0.896 -0.878) 5.204 3.428 ( -1.858 -0.050 2.526) 3.136 3.482 ( 0.968 0.292 -3.046) 3.209 3.879 ( -5.078 -1.609 9.934) 11.272 3.992 ( -0.563 0.437 -0.999) 1.227 5.002 ( -9.084 3.687 12.012) 15.505 5.131 ( -3.889 1.095 2.271) 4.635 5.558 ( -4.035 1.868 3.296) 5.535 5.647 ( 1.249 1.668 -5.879) 6.238 7.098 ( 0.220 1.334 2.614) 2.943 7.487 ( 16.850 0.474 -33.870) 37.833 8.866 ( -20.629 -1.869 13.431) 24.687 8.872 ( -16.424 -0.357 14.779) 22.097 9.498 ( -44.215 0.157 8.580) 45.040 9.788 ( -28.549 2.393 -15.629) 32.635 10.432 ( -11.426 -2.267 3.694) 12.220 10.597 ( -8.246 -2.579 -8.841) 12.362 11.357 ( 17.711 0.006 12.200) 21.506 11.554 ( 26.439 -0.017 -8.385) 27.737 12.318 ( -13.505 -0.536 20.445) 24.509 12.620 ( -3.693 0.259 -6.691) 7.647 13.488 ( 2.117 -1.259 3.386) 4.187 13.545 ( 7.704 -2.393 -2.885) 8.567 14.093 ( -5.628 -0.726 -2.936) 6.389 14.300 ( 2.401 -0.578 -21.285) 21.428 17.225 ( 5.400 0.430 12.550) 13.669 17.385 ( 13.911 0.117 -4.437) 14.602 19.230 ( 0.946 0.099 -2.057) 2.266 19.245 ( 2.167 -1.519 -3.106) 4.081 20.017 ( -0.406 -0.233 0.826) 0.949 20.034 ( 0.078 0.020 -1.265) 1.268 21.920 ( -0.854 1.685 5.731) 6.034 22.007 ( 3.863 2.309 -3.280) 5.569 22.686 ( 3.893 -5.235 5.187) 8.334 22.753 ( 5.953 -1.088 -2.306) 6.475 23.536 ( 6.370 3.886 2.722) 7.943 23.563 ( 6.641 3.258 -0.252) 7.402 29.893 ( -16.657 -0.738 5.040) 17.419 29.997 ( -12.733 -2.182 -5.674) 14.109 30.928 ( -0.681 -3.575 7.025) 7.912 31.088 ( 4.289 0.289 -9.504) 10.431 ======================= Grid point 332 (105/124) ======================= q-point: (-0.40 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -4.965 -2.467 2.141) 5.943 2.198 ( -4.435 1.232 2.049) 5.038 2.283 ( -4.149 9.471 3.244) 10.837 2.383 ( -2.603 8.037 -5.442) 10.049 2.648 ( -2.256 -3.376 4.951) 6.403 2.704 ( 0.160 -2.168 -0.544) 2.241 3.048 ( 4.869 -0.516 2.513) 5.504 3.085 ( 4.501 -0.519 -0.940) 4.627 3.371 ( -4.629 1.307 7.039) 8.525 3.507 ( 1.101 -0.072 -5.638) 5.745 3.774 ( -6.357 0.546 11.688) 13.316 3.930 ( -4.301 2.386 -3.287) 5.915 4.817 ( -6.929 4.208 6.262) 10.243 4.966 ( -10.718 2.386 -7.473) 13.282 5.430 ( -8.057 2.965 7.154) 11.176 5.614 ( -2.525 3.866 -12.087) 12.939 7.107 ( -3.202 3.155 16.047) 16.665 7.513 ( -26.343 3.729 -20.491) 33.582 8.234 ( -49.990 -3.081 3.503) 50.207 8.355 ( -23.266 -3.481 -11.606) 26.232 8.972 ( -10.432 0.026 30.743) 32.465 9.470 ( -3.953 0.266 -15.862) 16.349 10.294 ( -9.730 -2.530 5.138) 11.291 10.484 ( -8.602 -3.100 -6.999) 11.515 11.583 ( 8.486 -0.393 15.003) 17.241 11.764 ( -7.172 -0.137 -3.016) 7.782 12.221 ( 6.530 -0.861 8.331) 10.620 12.422 ( -16.074 0.703 -7.783) 17.873 13.592 ( 7.570 -2.688 8.049) 11.372 13.792 ( 14.776 -4.793 -11.430) 19.286 13.991 ( -7.603 -1.027 4.941) 9.126 14.282 ( -5.873 -2.100 -21.937) 22.806 17.420 ( 17.038 0.597 19.454) 25.867 17.709 ( 22.746 0.664 -11.126) 25.330 19.267 ( 2.776 -0.543 0.354) 2.850 19.310 ( 2.908 -2.512 -3.384) 5.121 20.004 ( -1.260 0.185 0.351) 1.321 20.022 ( -1.663 0.179 -1.983) 2.595 21.910 ( -0.685 -1.784 10.311) 10.486 22.072 ( 3.536 -0.862 -7.010) 7.898 22.816 ( 5.449 -4.049 5.012) 8.439 22.880 ( 7.816 0.334 -1.727) 8.012 23.647 ( 12.277 8.551 2.006) 15.095 23.666 ( 9.435 6.076 -0.106) 11.223 29.537 ( -23.530 -1.241 6.721) 24.502 29.692 ( -23.389 -3.546 -9.757) 25.589 30.987 ( 2.203 -5.795 10.136) 11.882 31.182 ( 5.094 -2.231 -10.243) 11.655 ======================= Grid point 333 (106/124) ======================= q-point: (-0.30 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( -10.271 10.855 10.706) 18.383 2.075 ( -8.192 6.136 10.116) 14.391 2.142 ( -5.644 4.437 -5.947) 9.323 2.282 ( -2.091 6.342 -10.008) 12.032 2.638 ( -2.694 -4.327 5.355) 7.393 2.722 ( -0.606 -1.661 -3.458) 3.884 3.108 ( 0.614 -1.034 1.904) 2.252 3.146 ( -0.086 -1.472 -2.245) 2.686 3.270 ( -1.987 2.294 12.338) 12.706 3.479 ( -2.768 4.989 -3.104) 6.496 3.664 ( -5.460 -0.180 6.849) 8.761 3.834 ( -4.923 -0.643 -5.565) 7.458 4.689 ( -3.882 3.699 1.898) 5.689 4.787 ( -6.087 0.754 -7.963) 10.051 5.224 ( -12.062 2.143 8.659) 15.002 5.482 ( -8.137 4.688 -17.988) 20.292 6.563 ( -57.765 2.514 1.896) 57.851 6.604 ( -49.466 3.710 -2.654) 49.675 7.752 ( -4.192 -3.563 24.429) 25.041 8.294 ( 3.898 -0.842 -31.783) 32.033 8.886 ( -3.195 -0.582 35.565) 35.713 9.524 ( 4.884 -0.440 -27.425) 27.860 10.119 ( -9.573 -2.135 16.394) 19.104 10.371 ( -4.812 -2.573 -2.970) 6.213 11.475 ( -21.086 -0.313 9.942) 23.315 11.684 ( 0.154 -1.797 -3.150) 3.630 12.134 ( -11.389 1.229 9.969) 15.186 12.422 ( 11.600 -0.968 -14.804) 18.832 13.756 ( 2.016 -2.812 10.987) 11.519 13.845 ( -5.406 -1.411 9.905) 11.372 14.060 ( 2.030 -5.826 -15.730) 16.896 14.181 ( -0.607 -5.114 -19.639) 20.303 17.805 ( 25.711 0.484 24.051) 35.210 18.173 ( 29.666 1.143 -14.682) 33.121 19.330 ( 3.145 -1.344 2.135) 4.032 19.386 ( 2.849 -2.816 -2.670) 4.814 19.955 ( -4.455 0.555 -1.520) 4.740 19.959 ( -5.578 0.098 -2.416) 6.080 21.916 ( -2.305 -5.289 13.203) 14.408 22.130 ( 0.946 -2.741 -9.741) 10.163 22.931 ( 3.451 -3.857 6.745) 8.502 23.023 ( 7.577 -0.903 -2.142) 7.925 23.783 ( 11.117 9.242 1.942) 14.587 23.819 ( 16.955 12.752 -1.393) 21.261 29.109 ( -24.661 -1.149 5.790) 25.358 29.255 ( -28.308 -3.353 -9.955) 30.194 31.100 ( 3.445 -8.087 11.399) 14.395 31.304 ( 5.219 -4.206 -10.090) 12.113 ======================= Grid point 334 (107/124) ======================= q-point: (-0.20 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -17.528 9.350 15.656) 25.293 1.803 ( -9.000 15.215 16.752) 24.354 1.948 ( -11.116 7.011 -11.499) 17.462 2.149 ( -4.177 10.502 -15.516) 19.196 2.630 ( -2.117 -3.843 4.969) 6.629 2.706 ( -1.274 0.311 -4.299) 4.495 3.111 ( -0.754 1.081 6.705) 6.834 3.136 ( 1.173 -4.805 1.906) 5.301 3.269 ( -1.895 -2.553 6.974) 7.665 3.381 ( -0.801 4.493 6.676) 8.087 3.546 ( -9.125 -0.422 -1.426) 9.246 3.767 ( -3.263 -0.660 -11.378) 11.855 4.610 ( -2.033 1.608 4.458) 5.157 4.748 ( 0.882 -0.601 -5.712) 5.811 4.987 ( -12.785 -0.664 3.518) 13.277 5.236 ( -16.272 0.911 -18.173) 24.410 5.704 ( -28.007 4.506 2.660) 28.492 5.808 ( -30.178 4.395 -8.113) 31.557 7.853 ( 7.935 -2.853 26.961) 28.249 8.396 ( 6.740 0.978 -29.961) 30.725 8.801 ( -7.068 -0.862 36.837) 37.519 9.475 ( -9.882 -0.284 -33.302) 34.739 10.118 ( 6.396 -1.539 25.217) 26.061 10.422 ( 9.016 -1.557 1.708) 9.307 11.078 ( -22.887 -0.236 12.615) 26.135 11.567 ( -11.386 -1.586 -30.261) 32.371 12.091 ( 4.339 0.142 29.926) 30.239 12.614 ( 8.443 -0.837 -24.159) 25.605 13.603 ( -10.690 -0.944 10.398) 14.943 13.815 ( -7.783 0.410 -9.141) 12.013 14.076 ( 1.969 -9.632 10.203) 14.169 14.370 ( 7.129 -6.338 -18.505) 20.819 18.269 ( 23.855 -0.454 28.293) 37.010 18.709 ( 29.316 0.417 -17.343) 34.064 19.396 ( 2.818 -1.519 4.574) 5.583 19.461 ( 3.169 -2.198 -0.828) 3.944 19.812 ( -10.384 0.214 -4.397) 11.278 19.819 ( -10.586 0.392 -4.761) 11.614 21.924 ( -2.765 -7.516 13.637) 15.815 22.156 ( -0.786 -3.409 -11.214) 11.747 23.008 ( 1.286 -4.217 9.139) 10.146 23.147 ( 4.297 -2.446 -4.655) 6.791 23.880 ( 8.780 10.568 5.450) 14.781 23.997 ( 14.908 14.402 -6.432) 21.704 28.728 ( -17.195 -0.398 2.451) 17.373 28.795 ( -23.185 -1.346 -5.072) 23.772 31.242 ( 3.194 -9.778 10.823) 14.931 31.429 ( 3.810 -4.988 -9.027) 10.995 ======================= Grid point 335 (108/124) ======================= q-point: (-0.10 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 0.000 8.764 22.097) 23.772 1.583 ( 0.000 14.825 23.859) 28.089 1.734 ( 0.000 7.553 -18.960) 20.409 2.010 ( 0.000 9.778 -20.037) 22.295 2.641 ( -0.000 -3.381 3.244) 4.686 2.691 ( 0.000 0.124 -3.644) 3.646 3.115 ( 0.000 1.075 18.019) 18.051 3.232 ( -0.000 -3.653 9.556) 10.231 3.234 ( -0.000 -5.404 -1.215) 5.539 3.368 ( 0.000 3.351 11.693) 12.163 3.422 ( -0.000 -1.121 -10.454) 10.514 3.734 ( 0.000 1.049 -16.658) 16.691 4.585 ( 0.000 0.832 7.589) 7.634 4.802 ( 0.000 0.636 12.630) 12.646 4.833 ( -0.000 -2.465 -18.854) 19.015 5.049 ( -0.000 -1.322 -10.835) 10.915 5.450 ( 0.000 4.585 -4.170) 6.197 5.508 ( 0.000 4.563 -7.722) 8.970 7.975 ( -0.000 -3.049 23.162) 23.362 8.459 ( 0.000 1.847 -27.734) 27.796 8.720 ( -0.000 -0.672 37.068) 37.074 9.357 ( -0.000 -0.601 -28.307) 28.314 10.211 ( -0.000 -0.724 24.424) 24.435 10.670 ( -0.000 -0.759 -22.363) 22.376 10.721 ( -0.000 -0.268 40.575) 40.576 11.458 ( -0.000 -1.136 -34.511) 34.529 12.149 ( -0.000 -0.272 27.731) 27.732 12.703 ( -0.000 -0.296 -27.949) 27.951 13.501 ( -0.000 -0.558 11.341) 11.355 13.720 ( -0.000 -0.287 -11.599) 11.603 14.186 ( -0.000 -8.032 14.800) 16.839 14.486 ( -0.000 -4.924 -17.376) 18.060 18.525 ( -0.000 -1.057 31.850) 31.867 19.046 ( -0.000 -1.051 -22.277) 22.302 19.446 ( 0.000 0.067 12.339) 12.339 19.523 ( -0.000 -1.023 4.583) 4.696 19.646 ( 0.000 0.102 -9.225) 9.225 19.677 ( -0.000 -0.300 -11.748) 11.751 21.963 ( -0.000 -7.223 11.516) 13.593 22.175 ( -0.000 -2.845 -11.015) 11.377 23.056 ( -0.000 -4.429 9.165) 10.179 23.210 ( -0.000 -3.139 -6.524) 7.240 23.875 ( 0.000 10.034 7.467) 12.507 24.026 ( 0.000 12.553 -8.116) 14.948 28.565 ( 0.000 0.002 0.136) 0.136 28.568 ( 0.000 0.015 -0.185) 0.185 31.360 ( -0.000 -9.055 8.260) 12.256 31.507 ( -0.000 -3.949 -7.293) 8.294 ======================= Grid point 338 (109/124) ======================= q-point: ( 0.20 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 6.947 -0.000 9.132) 11.474 2.245 ( 2.461 -0.000 -6.294) 6.758 2.385 ( 8.112 -0.000 2.744) 8.564 2.399 ( 5.983 -0.000 0.212) 5.987 2.829 ( 1.872 -0.000 3.043) 3.573 2.881 ( -7.430 0.000 0.774) 7.471 2.896 ( -8.539 0.000 1.759) 8.718 2.911 ( 0.710 -0.000 -2.500) 2.599 3.528 ( 1.798 -0.000 2.517) 3.093 3.541 ( 5.895 -0.000 0.513) 5.917 3.728 ( 2.842 -0.000 7.741) 8.247 3.814 ( -0.050 0.000 -0.014) 0.051 4.837 ( 12.581 -0.000 17.205) 21.314 5.099 ( 9.592 -0.000 -6.046) 11.338 5.508 ( 6.629 -0.000 1.798) 6.868 5.571 ( 3.378 -0.000 -5.694) 6.621 7.047 ( 1.407 -0.000 5.403) 5.584 7.467 ( -11.839 0.000 -34.246) 36.234 8.872 ( 11.717 -0.000 19.420) 22.681 8.947 ( 18.578 -0.000 11.329) 21.760 9.503 ( 45.350 -0.000 2.269) 45.406 9.704 ( 25.821 -0.000 -15.039) 29.881 10.517 ( 9.440 -0.000 6.646) 11.545 10.709 ( 5.532 -0.000 -8.809) 10.402 11.377 ( -16.923 0.000 12.683) 21.148 11.570 ( -26.622 0.000 -7.602) 27.686 12.333 ( 13.070 -0.000 20.363) 24.197 12.613 ( 4.454 -0.000 -5.147) 6.806 13.509 ( -5.329 0.000 4.265) 6.825 13.603 ( -12.760 0.000 -5.968) 14.087 14.125 ( 4.594 -0.000 -2.950) 5.459 14.331 ( -5.024 0.000 -22.085) 22.650 17.222 ( -4.996 0.000 13.024) 13.950 17.400 ( -13.062 0.000 -5.618) 14.218 19.222 ( -2.650 0.000 2.197) 3.443 19.317 ( -3.960 0.000 -7.231) 8.244 20.007 ( 0.649 -0.000 -0.015) 0.649 20.016 ( 0.070 -0.000 -1.015) 1.017 22.118 ( -2.329 0.000 1.373) 2.703 22.133 ( 0.605 -0.000 1.136) 1.287 22.567 ( -5.936 0.000 2.523) 6.450 22.568 ( -11.401 0.000 3.097) 11.814 23.433 ( 2.923 -0.000 2.967) 4.165 23.470 ( -0.057 0.000 -0.937) 0.939 29.912 ( 14.723 -0.000 7.307) 16.437 30.051 ( 8.959 -0.000 -6.820) 11.260 31.102 ( -8.953 0.000 -1.632) 9.101 31.115 ( -3.228 0.000 -3.537) 4.789 ======================= Grid point 339 (110/124) ======================= q-point: ( 0.30 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 1.205 -1.360 4.362) 4.725 2.246 ( -2.615 -1.021 -2.782) 3.952 2.498 ( 6.125 2.019 2.094) 6.781 2.522 ( 7.210 0.966 0.145) 7.275 2.732 ( -6.643 0.544 3.237) 7.410 2.752 ( -6.170 0.733 0.846) 6.270 2.879 ( 3.050 -0.188 4.707) 5.612 2.959 ( 3.022 0.410 -4.255) 5.235 3.498 ( -2.650 1.688 1.663) 3.555 3.542 ( -1.985 2.715 -3.134) 4.597 3.812 ( 2.310 -3.808 7.117) 8.395 3.883 ( 4.595 -3.106 0.942) 5.626 5.066 ( 10.658 -0.465 17.663) 20.635 5.173 ( -1.778 0.630 7.395) 7.632 5.606 ( 3.939 0.131 -0.624) 3.991 5.610 ( 1.348 -0.060 -1.539) 2.047 7.177 ( 13.733 -0.269 -17.859) 22.530 7.225 ( -11.780 0.295 -21.837) 24.814 8.982 ( 0.986 -0.405 18.499) 18.530 9.043 ( -3.703 0.302 14.753) 15.213 9.986 ( -4.271 -0.423 -5.205) 6.747 10.072 ( 10.841 0.538 -11.743) 15.992 10.762 ( 0.927 -0.077 2.781) 2.933 10.777 ( -12.477 0.077 1.190) 12.534 11.084 ( -5.825 0.282 0.935) 5.906 11.098 ( 5.413 0.344 -0.472) 5.444 12.544 ( -10.580 -0.040 8.277) 13.433 12.554 ( 9.943 0.099 7.787) 12.629 13.460 ( -0.693 -0.481 2.187) 2.344 13.475 ( -2.950 -0.321 0.542) 3.017 14.205 ( -7.815 -0.011 -14.618) 16.576 14.217 ( 5.621 0.127 -15.168) 16.177 17.222 ( 4.736 0.118 4.696) 6.671 17.235 ( -4.972 0.270 3.368) 6.012 19.198 ( -0.185 -0.307 0.003) 0.358 19.257 ( -2.264 0.380 -6.191) 6.602 20.013 ( 0.038 0.053 0.064) 0.091 20.020 ( 0.379 -0.509 -0.828) 1.043 22.050 ( -2.117 4.614 4.836) 7.011 22.117 ( -0.453 4.542 -1.179) 4.714 22.472 ( -1.654 -5.788 6.993) 9.228 22.573 ( 3.262 -4.102 -4.410) 6.850 23.498 ( 3.498 0.472 1.579) 3.867 23.503 ( 5.228 0.532 0.897) 5.331 30.067 ( 1.488 -0.338 1.715) 2.296 30.085 ( -5.134 -0.186 -0.186) 5.141 30.952 ( -7.076 -0.312 4.152) 8.210 31.080 ( 0.056 1.133 -9.195) 9.264 ======================= Grid point 340 (111/124) ======================= q-point: (-0.60 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( -2.638 -1.903 0.843) 3.360 2.195 ( -3.543 -2.231 -1.110) 4.332 2.560 ( 3.024 6.231 2.332) 7.308 2.593 ( 1.643 5.410 -0.981) 5.739 2.644 ( -2.144 -0.377 4.055) 4.602 2.671 ( -1.634 -1.248 1.505) 2.548 2.951 ( 4.527 -0.397 4.002) 6.055 3.009 ( 3.161 0.575 -2.737) 4.221 3.438 ( -2.526 0.956 2.615) 3.760 3.492 ( -1.215 0.663 -3.126) 3.418 3.839 ( -2.618 -2.371 8.839) 9.518 3.967 ( 1.039 -2.669 -3.088) 4.212 5.053 ( -8.744 2.033 12.339) 15.259 5.151 ( -1.813 1.023 5.839) 6.199 5.588 ( -2.614 1.367 2.786) 4.057 5.670 ( 2.698 0.862 -5.487) 6.175 7.118 ( 0.756 0.835 1.568) 1.931 7.493 ( 18.738 0.272 -33.626) 38.496 8.838 ( -21.967 -1.145 13.490) 25.804 8.866 ( -17.519 -0.282 13.499) 22.118 9.503 ( -43.549 0.270 11.049) 44.930 9.825 ( -29.889 1.574 -15.701) 33.799 10.398 ( -12.024 -1.420 2.670) 12.399 10.561 ( -9.147 -1.477 -9.191) 13.051 11.360 ( 17.813 0.230 12.107) 21.539 11.557 ( 26.588 0.192 -8.379) 27.878 12.309 ( -14.093 -0.434 20.655) 25.008 12.624 ( -3.491 0.180 -7.536) 8.307 13.465 ( 1.108 -1.085 2.758) 3.164 13.505 ( 5.806 -1.863 -1.728) 6.338 14.083 ( -5.973 -0.416 -2.649) 6.547 14.293 ( 1.612 -0.232 -21.051) 21.114 17.233 ( 5.513 0.428 12.491) 13.660 17.389 ( 14.289 0.271 -4.105) 14.870 19.217 ( 1.541 -0.942 -1.322) 2.238 19.238 ( 0.437 0.156 -3.896) 3.923 20.013 ( -0.188 -0.166 0.490) 0.551 20.030 ( 0.095 -0.372 -1.755) 1.797 21.972 ( -2.454 3.458 7.563) 8.671 22.082 ( 2.053 5.365 -3.371) 6.660 22.567 ( 4.447 -7.309 8.289) 11.913 22.709 ( 7.371 -3.063 -6.948) 10.582 23.595 ( 9.089 2.500 2.245) 9.690 23.612 ( 8.387 2.149 0.260) 8.662 29.882 ( -16.981 -0.452 3.521) 17.348 29.960 ( -14.288 -1.802 -4.592) 15.116 30.882 ( -1.706 -1.670 10.325) 10.597 31.096 ( 2.343 0.483 -12.004) 12.240 ======================= Grid point 341 (112/124) ======================= q-point: (-0.50 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( -2.411 -1.786 1.502) 3.355 2.176 ( -1.072 -1.852 -1.861) 2.836 2.472 ( -3.409 9.173 3.277) 10.321 2.510 ( -4.235 4.272 0.174) 6.019 2.638 ( 0.562 3.343 4.049) 5.280 2.693 ( 2.084 1.170 -0.550) 2.452 3.035 ( 4.096 -0.861 2.884) 5.083 3.070 ( 3.101 -1.165 -0.664) 3.379 3.387 ( -2.824 0.486 5.072) 5.825 3.492 ( 0.535 -1.446 -5.355) 5.573 3.770 ( -5.788 -0.611 10.482) 11.990 3.952 ( -4.184 -0.098 -6.153) 7.441 4.875 ( -8.204 2.389 7.535) 11.393 5.008 ( -10.682 2.311 -4.277) 11.736 5.484 ( -7.207 2.968 7.446) 10.779 5.674 ( -1.025 2.775 -12.047) 12.405 7.159 ( -0.323 2.573 16.722) 16.922 7.577 ( -25.337 3.245 -19.998) 32.441 8.188 ( -52.659 -2.070 2.255) 52.748 8.293 ( -22.894 -3.286 -12.016) 26.063 8.973 ( -11.373 0.074 31.933) 33.898 9.475 ( -5.713 0.238 -14.767) 15.836 10.253 ( -9.396 -2.028 3.339) 10.176 10.437 ( -8.167 -2.200 -7.819) 11.519 11.580 ( 7.676 -0.006 14.901) 16.762 11.765 ( -7.652 0.216 -3.275) 8.326 12.204 ( 6.597 -1.002 9.607) 11.697 12.433 ( -15.669 0.515 -8.914) 18.034 13.544 ( 5.993 -2.544 6.826) 9.433 13.706 ( 11.965 -4.507 -8.330) 15.260 13.977 ( -7.038 -0.646 3.380) 7.835 14.252 ( -6.965 -1.201 -21.082) 22.235 17.432 ( 17.294 0.695 19.760) 26.269 17.723 ( 23.517 0.820 -11.000) 25.976 19.257 ( 2.132 -0.647 -0.972) 2.431 19.273 ( 2.523 -1.499 -2.225) 3.683 20.004 ( -1.158 -0.102 -0.061) 1.164 20.021 ( -1.705 -0.217 -2.264) 2.842 21.906 ( -2.898 0.940 11.612) 12.005 22.087 ( 1.912 2.320 -7.293) 7.888 22.723 ( 5.829 -5.903 8.533) 11.901 22.866 ( 7.663 -1.507 -6.226) 9.988 23.762 ( 11.454 4.521 1.501) 12.405 23.778 ( 15.493 5.985 -0.260) 16.611 29.517 ( -23.691 -0.849 4.637) 24.156 29.629 ( -24.265 -3.426 -7.201) 25.542 30.904 ( 1.056 -3.551 13.154) 13.666 31.150 ( 3.241 -1.327 -12.695) 13.169 ======================= Grid point 342 (113/124) ======================= q-point: (-0.40 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -5.491 2.389 5.867) 8.384 2.166 ( -0.447 2.660 0.045) 2.698 2.304 ( -4.650 12.073 3.333) 13.360 2.398 ( -2.497 5.446 -3.696) 7.040 2.599 ( -1.625 1.379 6.157) 6.516 2.711 ( 1.197 0.903 -3.808) 4.093 3.100 ( 0.552 -0.112 1.293) 1.410 3.112 ( 0.800 -2.329 0.116) 2.465 3.317 ( -3.316 2.652 8.394) 9.407 3.516 ( -0.039 -0.701 -9.863) 9.888 3.670 ( -5.719 0.185 10.115) 11.622 3.829 ( -8.405 0.290 -4.838) 9.702 4.736 ( -5.456 1.273 0.389) 5.616 4.798 ( -9.670 0.940 -5.886) 11.360 5.272 ( -13.541 3.058 11.033) 17.732 5.560 ( -9.318 3.931 -18.884) 21.422 6.610 ( -58.603 2.652 3.465) 58.765 6.670 ( -49.470 3.617 -3.051) 49.695 7.694 ( -1.793 -2.826 26.308) 26.520 8.279 ( 6.026 -0.797 -33.897) 34.438 8.875 ( -3.574 -0.594 36.284) 36.464 9.514 ( 4.991 -0.643 -26.196) 26.674 10.082 ( -9.435 -1.992 14.397) 17.328 10.329 ( -4.067 -2.127 -4.049) 6.121 11.470 ( -21.072 -0.287 9.680) 23.191 11.655 ( -1.081 -1.487 -1.889) 2.636 12.154 ( -11.476 0.945 8.527) 14.329 12.402 ( 11.054 -1.257 -12.908) 17.041 13.698 ( 5.284 -3.608 11.783) 13.407 13.796 ( -8.173 -3.787 11.941) 14.958 13.985 ( 5.319 -2.926 -18.438) 19.412 14.098 ( -7.660 -3.793 -19.300) 21.109 17.815 ( 25.243 0.638 24.783) 35.381 18.195 ( 29.734 1.277 -15.102) 33.374 19.308 ( 2.670 -1.088 0.813) 2.995 19.339 ( 2.958 -2.287 -1.622) 4.075 19.956 ( -5.383 -0.274 -1.893) 5.713 19.963 ( -4.836 0.177 -2.438) 5.419 21.848 ( -4.387 -2.504 15.200) 16.017 22.096 ( -0.496 -1.067 -11.044) 11.107 22.860 ( 4.324 -4.078 9.301) 11.038 23.005 ( 6.661 -1.026 -5.254) 8.546 23.928 ( 12.409 7.110 4.526) 15.001 24.021 ( 18.657 9.595 -5.341) 21.648 29.089 ( -24.197 -0.985 4.082) 24.559 29.192 ( -27.255 -3.556 -6.982) 28.359 30.973 ( 1.952 -5.967 14.599) 15.892 31.233 ( 3.607 -3.545 -12.743) 13.710 ======================= Grid point 343 (114/124) ======================= q-point: (-0.30 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -14.835 10.442 14.293) 23.096 2.079 ( -2.775 12.295 10.323) 16.292 2.098 ( -6.634 11.920 -8.185) 15.909 2.324 ( -0.525 8.021 -9.547) 12.480 2.579 ( -0.559 -0.682 7.648) 7.699 2.723 ( 0.955 1.544 -6.530) 6.778 3.075 ( -1.496 -1.765 2.823) 3.650 3.126 ( -0.214 -0.214 -2.312) 2.332 3.229 ( -6.150 -0.893 9.761) 11.571 3.451 ( -5.134 2.403 -7.669) 9.536 3.549 ( -6.624 1.564 9.603) 11.770 3.732 ( -3.189 -3.355 -5.299) 7.035 4.631 ( -4.580 0.608 -0.771) 4.684 4.712 ( -1.550 -3.462 -8.861) 9.638 4.984 ( -14.987 0.321 8.919) 17.443 5.244 ( -22.051 -0.082 -16.618) 27.611 5.801 ( -23.122 6.239 2.097) 24.041 5.900 ( -27.110 5.672 -7.429) 28.676 7.808 ( 7.974 -2.042 30.206) 31.307 8.411 ( 8.134 0.707 -32.535) 33.543 8.784 ( -7.354 -0.952 37.338) 38.067 9.467 ( -10.455 -0.565 -33.947) 35.525 10.088 ( 7.192 -1.810 24.878) 25.960 10.394 ( 9.940 -1.616 0.178) 10.072 11.073 ( -22.981 -0.303 12.508) 26.167 11.535 ( -11.137 -1.866 -28.871) 31.001 12.091 ( 2.849 -0.208 29.687) 29.824 12.591 ( 8.115 -1.837 -22.091) 23.606 13.583 ( -10.265 -1.348 11.379) 15.384 13.822 ( -9.631 0.351 -11.306) 14.856 13.908 ( 2.896 -8.717 12.902) 15.837 14.244 ( 6.358 -7.453 -20.210) 22.459 18.261 ( 22.481 -0.442 29.003) 36.698 18.717 ( 27.700 0.477 -18.326) 33.217 19.371 ( 3.500 -1.210 3.906) 5.382 19.420 ( 3.960 -2.275 -0.030) 4.567 19.811 ( -10.520 -0.299 -3.914) 11.228 19.826 ( -10.755 0.378 -5.416) 12.048 21.804 ( -4.044 -5.712 17.437) 18.789 22.093 ( -1.605 -3.393 -13.443) 13.957 22.947 ( 2.088 -2.812 10.682) 11.242 23.113 ( 3.960 -1.400 -5.908) 7.249 24.054 ( 8.885 8.994 8.024) 14.974 24.236 ( 14.570 11.824 -11.266) 21.887 28.720 ( -16.425 -0.429 1.805) 16.529 28.769 ( -20.865 -1.595 -3.523) 21.220 31.074 ( 1.882 -8.661 15.151) 17.553 31.333 ( 2.803 -5.461 -12.223) 13.678 ======================= Grid point 344 (115/124) ======================= q-point: (-0.20 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 0.000 13.270 20.603) 24.507 1.896 ( 0.000 18.883 17.974) 26.070 1.908 ( 0.000 11.464 -17.602) 21.006 2.221 ( 0.000 12.570 -14.866) 19.468 2.583 ( -0.000 -2.245 7.924) 8.236 2.709 ( 0.000 2.298 -6.180) 6.594 3.134 ( 0.000 0.209 1.154) 1.173 3.142 ( -0.000 -3.576 0.585) 3.624 3.144 ( -0.000 -6.079 12.735) 14.112 3.391 ( -0.000 -2.318 -13.128) 13.331 3.445 ( 0.000 5.196 17.431) 18.189 3.731 ( -0.000 -1.636 -10.110) 10.242 4.592 ( -0.000 -0.208 1.882) 1.893 4.764 ( -0.000 -5.402 -16.595) 17.452 4.815 ( 0.000 0.746 10.479) 10.506 5.020 ( -0.000 -1.920 -9.225) 9.422 5.560 ( 0.000 7.553 -3.435) 8.297 5.615 ( 0.000 7.159 -7.396) 10.293 7.920 ( -0.000 -2.749 28.383) 28.516 8.493 ( 0.000 1.763 -31.590) 31.639 8.704 ( -0.000 -1.072 36.846) 36.861 9.343 ( -0.000 -0.978 -28.711) 28.727 10.193 ( -0.000 -1.205 24.471) 24.501 10.652 ( -0.000 -1.283 -22.275) 22.312 10.716 ( -0.000 -0.199 38.863) 38.864 11.431 ( -0.000 -1.829 -35.029) 35.076 12.140 ( -0.000 -0.789 29.697) 29.708 12.688 ( -0.000 -1.545 -26.289) 26.334 13.488 ( -0.000 -0.923 11.736) 11.772 13.713 ( -0.000 -0.500 -11.869) 11.880 14.025 ( -0.000 -9.212 17.137) 19.456 14.370 ( -0.000 -7.721 -19.662) 21.123 18.502 ( -0.000 -1.519 31.950) 31.986 19.024 ( -0.000 -1.389 -22.358) 22.401 19.448 ( 0.000 0.113 11.883) 11.884 19.498 ( -0.000 -1.673 5.970) 6.200 19.650 ( 0.000 0.351 -10.814) 10.820 19.670 ( -0.000 -0.481 -11.293) 11.303 21.824 ( -0.000 -7.621 17.113) 18.734 22.111 ( -0.000 -4.081 -13.530) 14.132 22.989 ( -0.000 -2.973 10.976) 11.372 23.164 ( -0.000 -2.012 -6.570) 6.871 24.056 ( 0.000 9.986 9.143) 13.539 24.270 ( 0.000 13.338 -13.800) 19.192 28.565 ( 0.000 0.005 0.150) 0.150 28.568 ( 0.000 0.023 -0.200) 0.202 31.179 ( -0.000 -10.465 13.942) 17.432 31.413 ( -0.000 -6.133 -10.903) 12.510 ======================= Grid point 349 (116/124) ======================= q-point: ( 0.30 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( -1.577 0.000 0.590) 1.684 2.172 ( -4.198 0.000 -0.647) 4.248 2.619 ( 1.480 -0.000 3.595) 3.888 2.635 ( 0.295 -0.000 3.080) 3.094 2.641 ( 1.894 -0.000 1.338) 2.319 2.667 ( -0.391 0.000 -0.443) 0.591 2.947 ( 4.370 -0.000 4.393) 6.196 3.014 ( 2.318 -0.000 -3.713) 4.377 3.449 ( -3.347 0.000 2.496) 4.175 3.499 ( -2.833 0.000 -2.805) 3.986 3.816 ( -1.017 0.000 7.558) 7.626 3.935 ( 2.072 -0.000 -3.372) 3.958 5.071 ( -8.666 0.000 12.625) 15.313 5.161 ( -1.033 0.000 7.105) 7.180 5.601 ( -2.043 0.000 2.504) 3.231 5.677 ( 3.232 -0.000 -5.270) 6.183 7.126 ( 0.950 -0.000 1.168) 1.506 7.496 ( 19.453 -0.000 -33.516) 38.752 8.828 ( -22.240 0.000 13.558) 26.047 8.863 ( -18.144 0.000 12.952) 22.293 9.505 ( -43.268 0.000 11.975) 44.895 9.839 ( -30.452 0.000 -15.686) 34.254 10.386 ( -12.225 0.000 2.266) 12.433 10.548 ( -9.477 0.000 -9.356) 13.317 11.363 ( 17.841 -0.000 12.088) 21.551 11.559 ( 26.677 -0.000 -8.341) 27.951 12.305 ( -14.384 0.000 20.752) 25.250 12.626 ( -3.435 0.000 -7.908) 8.622 13.455 ( 0.764 -0.000 2.478) 2.593 13.488 ( 5.094 -0.000 -1.282) 5.252 14.080 ( -6.107 0.000 -2.485) 6.593 14.291 ( 1.342 -0.000 -20.977) 21.020 17.237 ( 5.544 -0.000 12.481) 13.657 17.392 ( 14.431 -0.000 -3.985) 14.971 19.209 ( 1.424 -0.000 -0.778) 1.623 19.239 ( 0.138 -0.000 -4.471) 4.473 20.012 ( -0.148 0.000 0.173) 0.228 20.026 ( 0.167 -0.000 -1.862) 1.870 22.009 ( -3.941 0.000 8.901) 9.735 22.145 ( 0.522 -0.000 -4.797) 4.826 22.485 ( 5.770 -0.000 11.040) 12.457 22.676 ( 8.744 -0.000 -9.377) 12.821 23.617 ( 9.941 -0.000 2.053) 10.151 23.632 ( 8.926 -0.000 0.433) 8.936 29.878 ( -17.010 0.000 2.757) 17.232 29.942 ( -14.916 0.000 -3.973) 15.436 30.868 ( -2.073 0.000 11.481) 11.666 31.101 ( 1.584 -0.000 -12.904) 13.001 ======================= Grid point 350 (117/124) ======================= q-point: (-0.60 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( -1.316 -0.450 0.997) 1.711 2.151 ( 0.361 -0.834 -1.823) 2.037 2.534 ( -5.290 0.146 4.942) 7.240 2.566 ( -4.157 1.979 1.284) 4.780 2.724 ( 3.162 3.777 1.525) 5.156 2.738 ( 5.497 2.566 0.840) 6.124 3.027 ( 3.574 0.232 2.379) 4.300 3.046 ( 2.060 -1.403 -0.025) 2.493 3.391 ( -2.795 0.060 3.689) 4.629 3.467 ( -1.125 -1.000 -4.306) 4.561 3.762 ( -4.877 -0.205 7.845) 9.240 3.936 ( -2.993 -1.072 -7.581) 8.221 4.903 ( -9.175 0.833 9.155) 12.988 5.039 ( -10.710 0.970 -2.674) 11.081 5.523 ( -6.616 1.231 7.185) 9.844 5.707 ( -0.117 0.988 -11.670) 11.713 7.192 ( 1.647 0.995 17.229) 17.336 7.619 ( -24.847 1.313 -19.599) 31.674 8.164 ( -55.259 -0.590 1.070) 55.272 8.249 ( -21.569 -1.488 -12.020) 24.738 8.974 ( -12.071 0.048 32.549) 34.715 9.478 ( -6.867 0.097 -14.064) 15.651 10.227 ( -9.182 -0.770 2.345) 9.508 10.410 ( -7.845 -0.778 -8.419) 11.534 11.581 ( 7.156 0.081 14.960) 16.584 11.769 ( -8.256 0.162 -3.172) 8.846 12.190 ( 6.839 -0.461 10.237) 12.320 12.439 ( -15.480 0.176 -9.838) 18.343 13.511 ( 5.088 -1.040 5.820) 7.800 13.648 ( 10.415 -1.828 -6.949) 12.653 13.968 ( -6.770 -0.249 3.231) 7.505 14.239 ( -7.368 -0.350 -20.638) 21.917 17.442 ( 17.402 0.310 19.979) 26.497 17.735 ( 23.909 0.366 -10.954) 26.301 19.244 ( 2.136 -0.543 -0.435) 2.247 19.260 ( 1.977 -0.218 -2.864) 3.487 20.004 ( -1.043 0.043 -0.598) 1.203 20.016 ( -1.735 -0.290 -2.390) 2.968 21.925 ( -4.956 0.825 12.777) 13.729 22.133 ( -0.713 2.001 -8.840) 9.092 22.634 ( 8.072 -3.250 12.258) 15.032 22.841 ( 8.662 -0.901 -9.189) 12.660 23.817 ( 12.319 1.619 2.241) 12.626 23.850 ( 16.761 2.066 -1.416) 16.948 29.509 ( -23.621 -0.148 2.824) 23.790 29.582 ( -24.726 -1.556 -4.996) 25.273 30.863 ( 0.459 -1.133 14.542) 14.593 31.135 ( 2.103 -0.401 -14.020) 14.182 ======================= Grid point 351 (118/124) ======================= q-point: (-0.50 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -0.196 1.023 4.334) 4.457 2.191 ( 3.516 0.634 -2.823) 4.554 2.440 ( -4.517 0.435 5.603) 7.210 2.466 ( -3.740 5.424 2.328) 6.987 2.690 ( -0.859 6.664 2.366) 7.123 2.761 ( 0.874 4.190 -3.065) 5.264 3.072 ( 1.274 -1.882 3.996) 4.597 3.101 ( 1.439 0.129 1.179) 1.865 3.353 ( -1.260 1.419 4.018) 4.443 3.477 ( 0.078 -3.015 -7.994) 8.544 3.664 ( -5.894 -0.424 6.541) 8.815 3.833 ( -9.266 -0.175 -8.215) 12.384 4.742 ( -8.107 -0.010 2.837) 8.588 4.818 ( -11.927 0.955 -4.336) 12.727 5.321 ( -14.888 2.180 11.383) 18.867 5.614 ( -10.659 2.148 -18.938) 21.838 6.650 ( -58.771 1.707 4.582) 58.974 6.723 ( -49.577 2.220 -3.292) 49.735 7.656 ( 0.647 -1.403 27.390) 27.434 8.268 ( 7.702 -0.426 -35.232) 36.066 8.867 ( -3.819 -0.364 36.598) 36.799 9.503 ( 4.911 -0.486 -25.199) 25.677 10.053 ( -9.226 -1.178 13.152) 16.108 10.300 ( -3.527 -1.125 -4.958) 6.188 11.466 ( -21.191 -0.153 9.711) 23.311 11.634 ( -2.123 -0.789 -0.695) 2.369 12.166 ( -11.755 0.441 7.077) 13.728 12.382 ( 10.449 -0.897 -11.597) 15.636 13.640 ( 6.522 -2.602 10.310) 12.474 13.733 ( -7.734 -2.888 9.964) 12.940 13.945 ( 6.789 -1.661 -16.492) 17.912 14.056 ( -12.265 -1.150 -17.805) 21.651 17.825 ( 24.784 0.459 25.361) 35.463 18.214 ( 29.599 0.829 -15.420) 33.385 19.292 ( 2.629 -0.748 0.572) 2.792 19.310 ( 2.860 -1.069 -1.511) 3.407 19.951 ( -5.750 -0.219 -2.026) 6.100 19.963 ( -4.533 -0.135 -2.977) 5.425 21.821 ( -6.436 -0.726 16.028) 17.287 22.090 ( -2.837 0.161 -12.326) 12.649 22.797 ( 6.607 -2.801 12.145) 14.107 22.989 ( 6.977 -0.713 -7.390) 10.188 24.025 ( 13.042 3.791 5.881) 14.800 24.148 ( 19.006 4.783 -7.335) 20.926 29.077 ( -23.839 -0.293 2.242) 23.946 29.137 ( -26.094 -2.488 -4.154) 26.539 30.895 ( 1.077 -2.915 16.004) 16.303 31.185 ( 2.383 -1.873 -14.375) 14.692 ======================= Grid point 352 (119/124) ======================= q-point: (-0.40 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( -8.852 8.146 12.786) 17.555 2.217 ( 0.545 5.955 -6.864) 9.104 2.327 ( -3.357 10.565 4.800) 12.080 2.392 ( -0.594 0.371 4.361) 4.417 2.639 ( 2.456 6.485 1.467) 7.088 2.749 ( 1.761 1.016 -5.270) 5.649 3.077 ( -1.228 1.471 2.060) 2.814 3.089 ( -3.728 -2.989 5.120) 7.003 3.264 ( -6.556 4.384 1.908) 8.115 3.456 ( -7.752 -1.009 -13.910) 15.956 3.587 ( -2.515 0.547 6.576) 7.062 3.663 ( -6.366 -3.260 -1.165) 7.247 4.629 ( -6.776 -1.016 -3.586) 7.734 4.641 ( -5.788 -3.692 -5.998) 9.116 4.995 ( -16.749 0.766 9.472) 19.257 5.236 ( -26.287 -0.633 -14.721) 30.135 5.908 ( -19.119 5.417 1.564) 19.933 5.994 ( -24.260 4.733 -6.502) 25.559 7.784 ( 8.579 -0.741 32.061) 33.197 8.421 ( 9.095 0.449 -33.821) 35.026 8.769 ( -7.627 -0.696 37.442) 38.217 9.457 ( -10.811 -0.591 -34.341) 36.007 10.059 ( 7.800 -1.408 24.674) 25.916 10.369 ( 10.614 -1.133 -1.345) 10.759 11.068 ( -23.008 -0.242 12.626) 26.245 11.506 ( -10.974 -1.415 -26.924) 29.109 12.084 ( 1.187 -0.529 28.662) 28.691 12.555 ( 7.234 -2.051 -19.995) 21.362 13.558 ( -9.590 -1.303 12.095) 15.491 13.778 ( -0.118 -5.234 4.781) 7.090 13.832 ( -6.532 0.141 -5.078) 8.275 14.127 ( 5.846 -5.462 -20.358) 21.874 18.254 ( 21.152 -0.277 29.642) 36.416 18.725 ( 26.120 0.364 -19.157) 32.395 19.355 ( 4.237 -0.593 3.346) 5.431 19.385 ( 4.452 -1.672 0.879) 4.836 19.804 ( -10.605 -0.435 -3.538) 11.188 19.831 ( -10.643 0.122 -6.436) 12.438 21.727 ( -5.289 -3.077 18.652) 19.630 22.044 ( -2.823 -2.177 -14.997) 15.414 22.907 ( 3.470 -1.669 12.220) 12.813 23.096 ( 4.069 -0.648 -6.751) 7.909 24.186 ( 8.931 5.826 9.638) 14.373 24.400 ( 13.683 6.821 -13.167) 20.177 28.714 ( -15.776 -0.216 1.046) 15.812 28.742 ( -18.514 -1.308 -2.036) 18.672 30.951 ( 1.040 -5.229 17.026) 17.841 31.250 ( 1.902 -3.790 -14.349) 14.962 ======================= Grid point 353 (120/124) ======================= q-point: (-0.30 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 0.000 13.284 18.572) 22.834 2.111 ( 0.000 10.943 -15.845) 19.257 2.193 ( 0.000 13.990 13.004) 19.100 2.377 ( 0.000 3.685 -2.299) 4.343 2.612 ( 0.000 6.539 4.138) 7.738 2.771 ( 0.000 3.968 -9.037) 9.870 3.027 ( -0.000 -6.964 16.752) 18.142 3.083 ( -0.000 -1.096 3.025) 3.218 3.171 ( 0.000 2.983 -5.732) 6.462 3.344 ( -0.000 -2.942 -16.282) 16.546 3.537 ( 0.000 4.686 12.239) 13.106 3.674 ( -0.000 -4.766 -3.443) 5.880 4.575 ( -0.000 -1.638 -3.021) 3.437 4.651 ( -0.000 -6.953 -12.517) 14.318 4.826 ( 0.000 0.512 7.874) 7.891 4.986 ( -0.000 -1.868 -7.571) 7.798 5.699 ( 0.000 7.765 -2.912) 8.294 5.744 ( 0.000 6.977 -6.276) 9.384 7.887 ( -0.000 -1.038 31.950) 31.967 8.519 ( 0.000 1.177 -33.784) 33.804 8.685 ( -0.000 -1.053 36.524) 36.540 9.325 ( -0.000 -0.987 -29.203) 29.220 10.171 ( -0.000 -1.252 24.508) 24.540 10.628 ( -0.000 -1.356 -22.144) 22.186 10.715 ( 0.000 0.019 36.985) 36.985 11.399 ( -0.000 -1.717 -34.561) 34.604 12.121 ( -0.000 -1.361 30.811) 30.841 12.649 ( -0.000 -2.696 -23.699) 23.852 13.471 ( -0.000 -0.949 12.199) 12.236 13.704 ( -0.000 -0.544 -12.199) 12.211 13.888 ( -0.000 -6.062 15.995) 17.105 14.236 ( -0.000 -7.008 -20.628) 21.786 18.476 ( -0.000 -1.329 32.114) 32.142 19.001 ( -0.000 -1.078 -22.712) 22.738 19.450 ( 0.000 0.119 11.323) 11.324 19.468 ( -0.000 -1.680 7.763) 7.942 19.657 ( 0.000 0.375 -12.784) 12.789 19.661 ( -0.000 -0.474 -10.728) 10.739 21.712 ( -0.000 -4.989 19.557) 20.184 22.042 ( -0.000 -3.487 -15.624) 16.008 22.950 ( -0.000 -1.480 12.150) 12.239 23.139 ( -0.000 -0.891 -6.823) 6.881 24.212 ( 0.000 7.510 11.044) 13.355 24.465 ( 0.000 8.672 -16.030) 18.226 28.565 ( 0.000 0.005 0.166) 0.166 28.568 ( 0.000 0.023 -0.218) 0.219 31.018 ( -0.000 -7.491 16.982) 18.561 31.309 ( -0.000 -5.280 -13.683) 14.666 ======================= Grid point 360 (121/124) ======================= q-point: (-0.60 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 1.560 -0.000 3.686) 4.002 2.196 ( 4.877 -0.000 -3.006) 5.729 2.442 ( -4.836 0.000 7.786) 9.166 2.508 ( -3.081 0.000 1.032) 3.249 2.758 ( -1.034 0.000 2.025) 2.273 2.809 ( -0.540 0.000 -2.625) 2.679 3.055 ( 1.625 -0.000 5.885) 6.105 3.103 ( 2.504 -0.000 1.678) 3.015 3.368 ( 0.973 -0.000 2.023) 2.244 3.441 ( -1.143 0.000 -6.549) 6.648 3.661 ( -6.476 0.000 4.111) 7.671 3.828 ( -8.873 0.000 -9.832) 13.244 4.743 ( -9.227 0.000 4.288) 10.175 4.826 ( -12.801 0.000 -3.812) 13.356 5.341 ( -15.450 0.000 11.300) 19.142 5.633 ( -11.266 0.000 -18.815) 21.930 6.665 ( -58.720 0.000 4.976) 58.931 6.743 ( -49.621 0.000 -3.371) 49.736 7.644 ( 1.684 -0.000 27.715) 27.766 8.264 ( 8.344 -0.000 -35.670) 36.633 8.863 ( -3.903 0.000 36.666) 36.873 9.499 ( 4.845 -0.000 -24.818) 25.287 10.043 ( -9.122 0.000 12.759) 15.685 10.290 ( -3.339 0.000 -5.311) 6.273 11.465 ( -21.277 0.000 9.778) 23.416 11.627 ( -2.532 0.000 -0.188) 2.538 12.169 ( -11.900 0.000 6.450) 13.535 12.374 ( 10.182 -0.000 -11.176) 15.119 13.616 ( 6.591 -0.000 9.376) 11.461 13.706 ( -6.800 0.000 8.860) 11.169 13.930 ( 6.008 -0.000 -14.999) 16.158 14.048 ( -12.808 0.000 -17.303) 21.528 17.829 ( 24.592 -0.000 25.577) 35.482 18.222 ( 29.512 -0.000 -15.530) 33.348 19.285 ( 2.820 -0.000 0.858) 2.948 19.301 ( 2.639 -0.000 -1.841) 3.218 19.949 ( -5.982 0.000 -2.182) 6.367 19.961 ( -4.302 0.000 -3.135) 5.323 21.816 ( -7.294 0.000 16.282) 17.841 22.093 ( -4.100 0.000 -13.017) 13.647 22.771 ( 7.870 -0.000 13.494) 15.621 22.983 ( 7.263 -0.000 -8.164) 10.927 24.058 ( 13.220 -0.000 6.263) 14.628 24.190 ( 19.030 -0.000 -7.891) 20.601 29.077 ( -23.686 0.000 1.147) 23.714 29.113 ( -25.612 0.000 -2.702) 25.754 30.870 ( 0.790 -0.000 16.359) 16.378 31.169 ( 1.932 -0.000 -14.909) 15.034 ======================= Grid point 362 (122/124) ======================= q-point: (-0.50 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -3.744 3.285 10.538) 11.656 2.288 ( 4.183 2.031 -7.232) 8.597 2.384 ( -0.914 -0.473 10.621) 10.671 2.451 ( -2.146 3.467 2.674) 4.876 2.738 ( 2.426 3.480 -0.913) 4.339 2.757 ( -2.052 0.084 -1.866) 2.775 3.042 ( -5.987 -1.571 10.307) 12.023 3.114 ( 0.457 1.697 1.250) 2.156 3.359 ( -3.481 5.614 -3.313) 7.390 3.431 ( -4.241 -2.029 -9.681) 10.762 3.533 ( -6.196 -3.874 1.967) 7.567 3.647 ( -7.884 -0.073 -6.535) 10.241 4.588 ( -7.705 -1.455 -1.623) 8.007 4.617 ( -9.475 -0.650 -4.193) 10.382 5.006 ( -17.821 0.346 8.561) 19.774 5.227 ( -28.328 -0.331 -13.473) 31.370 5.977 ( -16.950 2.146 1.263) 17.132 6.054 ( -22.670 1.828 -5.779) 23.466 7.778 ( 9.128 -0.100 32.729) 33.978 8.427 ( 9.569 0.174 -34.185) 35.499 8.761 ( -7.793 -0.250 37.373) 38.178 9.449 ( -10.932 -0.251 -34.478) 36.170 10.041 ( 8.088 -0.528 24.603) 25.903 10.355 ( 10.914 -0.404 -2.266) 11.154 11.065 ( -22.991 -0.089 12.792) 26.310 11.488 ( -10.892 -0.521 -25.513) 27.746 12.076 ( 0.058 -0.290 27.674) 27.675 12.527 ( 6.453 -0.901 -18.822) 19.918 13.541 ( -8.960 -0.565 12.344) 15.264 13.717 ( 2.313 -1.740 6.010) 6.671 13.835 ( -8.562 0.099 -8.114) 11.796 14.061 ( 5.549 -1.931 -19.800) 20.653 18.251 ( 20.347 -0.089 30.006) 36.254 18.729 ( 25.183 0.136 -19.607) 31.916 19.350 ( 4.795 0.018 3.054) 5.685 19.362 ( 4.534 -0.795 1.420) 4.817 19.798 ( -10.617 -0.195 -3.397) 11.149 19.832 ( -10.484 0.006 -7.119) 12.673 21.693 ( -6.039 -0.935 18.834) 19.800 22.018 ( -3.762 -0.719 -15.752) 16.211 22.888 ( 4.515 -0.561 13.230) 13.991 23.088 ( 4.245 -0.188 -7.159) 8.325 24.255 ( 8.924 1.989 10.220) 13.713 24.478 ( 13.073 2.167 -13.554) 18.956 28.713 ( -15.560 0.127 0.289) 15.563 28.724 ( -16.939 -0.682 -0.912) 16.977 30.890 ( 0.646 -1.687 17.527) 17.620 31.204 ( 1.392 -1.312 -15.317) 15.436 ======================= Grid point 363 (123/124) ======================= q-point: (-0.40 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 0.000 9.156 15.863) 18.316 2.270 ( 0.000 6.595 -13.759) 15.258 2.372 ( 0.000 5.152 9.536) 10.839 2.400 ( 0.000 1.832 5.658) 5.947 2.747 ( 0.000 6.386 -0.341) 6.395 2.802 ( -0.000 -0.533 -4.421) 4.453 2.914 ( -0.000 -5.369 20.665) 21.351 3.120 ( 0.000 4.390 4.364) 6.189 3.250 ( 0.000 5.919 -8.583) 10.426 3.295 ( -0.000 -2.272 -19.077) 19.212 3.564 ( -0.000 -5.484 0.710) 5.530 3.598 ( 0.000 0.308 0.326) 0.449 4.542 ( -0.000 -3.425 -5.699) 6.649 4.544 ( -0.000 -3.024 -6.164) 6.865 4.833 ( 0.000 0.254 5.750) 5.755 4.958 ( -0.000 -1.197 -6.278) 6.391 5.816 ( 0.000 5.033 -2.931) 5.824 5.844 ( 0.000 4.123 -4.822) 6.345 7.880 ( 0.000 0.007 33.489) 33.489 8.535 ( 0.000 0.629 -34.330) 34.335 8.669 ( -0.000 -0.641 36.221) 36.226 9.310 ( -0.000 -0.616 -29.599) 29.606 10.152 ( -0.000 -0.801 24.520) 24.533 10.607 ( -0.000 -0.879 -22.020) 22.037 10.716 ( 0.000 0.102 35.645) 35.645 11.374 ( -0.000 -0.992 -33.600) 33.614 12.097 ( -0.000 -1.147 30.868) 30.889 12.604 ( -0.000 -2.150 -21.590) 21.697 13.457 ( -0.000 -0.599 12.554) 12.568 13.695 ( -0.000 -0.357 -12.463) 12.468 13.812 ( -0.000 -2.633 13.484) 13.738 14.138 ( -0.000 -3.947 -20.433) 20.811 18.457 ( -0.000 -0.745 32.273) 32.281 18.987 ( -0.000 -0.530 -23.192) 23.198 19.443 ( -0.000 -1.075 9.241) 9.303 19.452 ( 0.000 0.076 10.872) 10.873 19.654 ( -0.000 -0.290 -10.270) 10.274 19.662 ( 0.000 0.210 -14.358) 14.359 21.649 ( -0.000 -2.312 19.991) 20.124 21.994 ( -0.000 -1.914 -16.725) 16.834 22.933 ( -0.000 -0.584 12.971) 12.985 23.129 ( -0.000 -0.303 -6.922) 6.928 24.313 ( 0.000 3.915 11.828) 12.459 24.575 ( 0.000 4.005 -16.095) 16.586 28.565 ( 0.000 0.004 0.178) 0.178 28.569 ( 0.000 0.014 -0.231) 0.232 30.920 ( -0.000 -3.635 17.907) 18.272 31.237 ( -0.000 -2.864 -15.187) 15.455 ======================= Grid point 373 (124/124) ======================= q-point: ( 0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( -0.000 -0.000 14.057) 14.057 2.329 ( 0.000 0.000 -12.390) 12.390 2.386 ( 0.000 0.000 10.880) 10.880 2.449 ( -0.000 -0.000 2.883) 2.883 2.782 ( 0.000 0.000 1.107) 1.107 2.811 ( 0.000 0.000 -1.785) 1.785 2.862 ( 0.000 0.000 22.517) 22.517 3.173 ( 0.000 0.000 6.092) 6.092 3.274 ( -0.000 -0.000 -20.304) 20.304 3.330 ( -0.000 -0.000 -11.612) 11.612 3.485 ( 0.000 0.000 3.652) 3.652 3.600 ( 0.000 0.000 -7.164) 7.164 4.500 ( 0.000 0.000 -3.367) 3.367 4.526 ( 0.000 0.000 -5.469) 5.469 4.835 ( 0.000 0.000 4.908) 4.908 4.947 ( 0.000 0.000 -5.756) 5.756 5.862 ( -0.000 -0.000 -3.291) 3.291 5.881 ( 0.000 0.000 -3.901) 3.901 7.881 ( 0.000 0.000 33.858) 33.858 8.540 ( 0.000 0.000 -34.325) 34.325 8.664 ( 0.000 0.000 36.093) 36.093 9.304 ( 0.000 0.000 -29.751) 29.751 10.145 ( 0.000 0.000 24.521) 24.521 10.599 ( 0.000 0.000 -21.968) 21.968 10.717 ( 0.000 0.000 35.172) 35.172 11.365 ( 0.000 0.000 -33.120) 33.120 12.086 ( 0.000 0.000 30.698) 30.698 12.583 ( 0.000 0.000 -20.855) 20.855 13.451 ( 0.000 0.000 12.685) 12.685 13.692 ( 0.000 0.000 -12.563) 12.563 13.790 ( 0.000 0.000 12.353) 12.353 14.103 ( 0.000 0.000 -20.174) 20.174 18.451 ( 0.000 0.000 32.337) 32.337 18.983 ( 0.000 0.000 -23.430) 23.430 19.433 ( 0.000 0.000 9.827) 9.827 19.453 ( 0.000 0.000 10.701) 10.701 19.652 ( 0.000 0.000 -10.094) 10.094 19.664 ( 0.000 0.000 -14.958) 14.958 21.629 ( 0.000 0.000 19.970) 19.970 21.977 ( 0.000 0.000 -17.037) 17.037 22.928 ( 0.000 0.000 13.267) 13.267 23.127 ( 0.000 0.000 -6.936) 6.936 24.348 ( 0.000 0.000 11.990) 11.990 24.610 ( 0.000 0.000 -15.901) 15.901 28.565 ( 0.000 0.000 0.182) 0.182 28.569 ( 0.000 0.000 -0.236) 0.236 30.889 ( 0.000 0.000 18.052) 18.052 31.211 ( 0.000 0.000 -15.637) 15.637 =================== 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 3/33600 10.0 695.904 1760.951 931.436 0.000 0.000 0.000 3/33600 20.0 282.448 285.156 305.886 0.000 0.000 0.000 3/33600 30.0 127.067 102.184 131.997 0.000 0.000 0.000 3/33600 40.0 72.927 54.957 74.440 0.000 0.000 0.000 3/33600 50.0 49.300 36.042 49.719 0.000 0.000 0.000 3/33600 60.0 37.017 26.394 36.897 0.000 0.000 0.000 3/33600 70.0 29.795 20.682 29.353 0.000 0.000 0.000 3/33600 80.0 25.145 16.950 24.511 0.000 0.000 0.000 3/33600 90.0 21.932 14.338 21.197 0.000 0.000 0.000 3/33600 100.0 19.584 12.417 18.810 0.000 0.000 0.000 3/33600 110.0 17.789 10.948 17.015 0.000 0.000 0.000 3/33600 120.0 16.365 9.790 15.617 0.000 0.000 0.000 3/33600 130.0 15.200 8.857 14.492 0.000 0.000 0.000 3/33600 140.0 14.224 8.088 13.563 0.000 0.000 0.000 3/33600 150.0 13.391 7.445 12.778 0.000 0.000 0.000 3/33600 160.0 12.667 6.899 12.102 0.000 0.000 0.000 3/33600 170.0 12.031 6.431 11.510 0.000 0.000 0.000 3/33600 180.0 11.465 6.025 10.984 0.000 0.000 0.000 3/33600 190.0 10.958 5.669 10.513 0.000 0.000 0.000 3/33600 200.0 10.500 5.355 10.086 0.000 0.000 0.000 3/33600 210.0 10.083 5.076 9.697 0.000 0.000 0.000 3/33600 220.0 9.702 4.826 9.340 0.000 0.000 0.000 3/33600 230.0 9.353 4.601 9.010 0.000 0.000 0.000 3/33600 240.0 9.030 4.398 8.704 0.000 0.000 0.000 3/33600 250.0 8.731 4.213 8.419 0.000 0.000 0.000 3/33600 260.0 8.453 4.044 8.153 0.000 0.000 0.000 3/33600 270.0 8.194 3.889 7.904 0.000 0.000 0.000 3/33600 280.0 7.952 3.747 7.670 0.000 0.000 0.000 3/33600 290.0 7.725 3.615 7.449 0.000 0.000 0.000 3/33600 300.0 7.511 3.493 7.241 0.000 0.000 0.000 3/33600 310.0 7.310 3.380 7.044 0.000 0.000 0.000 3/33600 320.0 7.120 3.274 6.858 0.000 0.000 0.000 3/33600 330.0 6.940 3.175 6.681 0.000 0.000 0.000 3/33600 340.0 6.769 3.082 6.513 0.000 0.000 0.000 3/33600 350.0 6.607 2.995 6.354 0.000 0.000 0.000 3/33600 360.0 6.453 2.913 6.201 0.000 0.000 0.000 3/33600 370.0 6.306 2.836 6.056 0.000 0.000 0.000 3/33600 380.0 6.166 2.762 5.918 0.000 0.000 0.000 3/33600 390.0 6.032 2.693 5.785 0.000 0.000 0.000 3/33600 400.0 5.904 2.628 5.658 0.000 0.000 0.000 3/33600 410.0 5.782 2.565 5.537 0.000 0.000 0.000 3/33600 420.0 5.664 2.506 5.420 0.000 0.000 0.000 3/33600 430.0 5.551 2.449 5.308 0.000 0.000 0.000 3/33600 440.0 5.443 2.395 5.201 0.000 0.000 0.000 3/33600 450.0 5.338 2.344 5.098 0.000 0.000 0.000 3/33600 460.0 5.238 2.294 4.999 0.000 0.000 0.000 3/33600 470.0 5.142 2.247 4.903 0.000 0.000 0.000 3/33600 480.0 5.048 2.202 4.811 0.000 0.000 0.000 3/33600 490.0 4.959 2.159 4.722 0.000 0.000 0.000 3/33600 500.0 4.872 2.117 4.637 0.000 0.000 0.000 3/33600 510.0 4.788 2.077 4.554 0.000 0.000 0.000 3/33600 520.0 4.707 2.038 4.474 0.000 0.000 0.000 3/33600 530.0 4.629 2.001 4.397 0.000 0.000 0.000 3/33600 540.0 4.553 1.966 4.323 0.000 0.000 0.000 3/33600 550.0 4.479 1.931 4.251 0.000 0.000 0.000 3/33600 560.0 4.408 1.898 4.181 0.000 0.000 0.000 3/33600 570.0 4.339 1.866 4.113 0.000 0.000 0.000 3/33600 580.0 4.273 1.835 4.048 0.000 0.000 0.000 3/33600 590.0 4.208 1.805 3.984 0.000 0.000 0.000 3/33600 600.0 4.145 1.776 3.923 0.000 0.000 0.000 3/33600 610.0 4.084 1.748 3.863 0.000 0.000 0.000 3/33600 620.0 4.024 1.720 3.805 0.000 0.000 0.000 3/33600 630.0 3.966 1.694 3.749 0.000 0.000 0.000 3/33600 640.0 3.910 1.668 3.694 0.000 0.000 0.000 3/33600 650.0 3.856 1.644 3.641 0.000 0.000 0.000 3/33600 660.0 3.803 1.620 3.589 0.000 0.000 0.000 3/33600 670.0 3.751 1.596 3.539 0.000 0.000 0.000 3/33600 680.0 3.700 1.573 3.490 0.000 0.000 0.000 3/33600 690.0 3.651 1.551 3.442 0.000 0.000 0.000 3/33600 700.0 3.604 1.530 3.396 0.000 0.000 0.000 3/33600 710.0 3.557 1.509 3.351 0.000 0.000 0.000 3/33600 720.0 3.512 1.489 3.307 0.000 0.000 0.000 3/33600 730.0 3.467 1.469 3.264 0.000 0.000 0.000 3/33600 740.0 3.424 1.450 3.222 0.000 0.000 0.000 3/33600 750.0 3.382 1.431 3.182 0.000 0.000 0.000 3/33600 760.0 3.341 1.413 3.142 0.000 0.000 0.000 3/33600 770.0 3.300 1.395 3.103 0.000 0.000 0.000 3/33600 780.0 3.261 1.378 3.065 0.000 0.000 0.000 3/33600 790.0 3.223 1.361 3.028 0.000 0.000 0.000 3/33600 800.0 3.185 1.344 2.992 0.000 0.000 0.000 3/33600 810.0 3.148 1.328 2.957 0.000 0.000 0.000 3/33600 820.0 3.113 1.312 2.923 0.000 0.000 0.000 3/33600 830.0 3.078 1.297 2.889 0.000 0.000 0.000 3/33600 840.0 3.043 1.282 2.856 0.000 0.000 0.000 3/33600 850.0 3.010 1.267 2.824 0.000 0.000 0.000 3/33600 860.0 2.977 1.253 2.793 0.000 0.000 0.000 3/33600 870.0 2.945 1.239 2.762 0.000 0.000 0.000 3/33600 880.0 2.913 1.225 2.732 0.000 0.000 0.000 3/33600 890.0 2.882 1.212 2.702 0.000 0.000 0.000 3/33600 900.0 2.852 1.198 2.673 0.000 0.000 0.000 3/33600 910.0 2.823 1.186 2.645 0.000 0.000 0.000 3/33600 920.0 2.794 1.173 2.617 0.000 0.000 0.000 3/33600 930.0 2.765 1.161 2.590 0.000 0.000 0.000 3/33600 940.0 2.737 1.149 2.564 0.000 0.000 0.000 3/33600 950.0 2.710 1.137 2.538 0.000 0.000 0.000 3/33600 960.0 2.683 1.125 2.512 0.000 0.000 0.000 3/33600 970.0 2.657 1.114 2.487 0.000 0.000 0.000 3/33600 980.0 2.631 1.103 2.463 0.000 0.000 0.000 3/33600 990.0 2.606 1.092 2.439 0.000 0.000 0.000 3/33600 1000.0 2.581 1.081 2.415 0.000 0.000 0.000 3/33600 Thermal conductivity related properties were written into "kappa-m10107.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:49:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|